data_10094 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10094 _Entry.Title ; Solution structure of the third CUT domain of human Homeobox protein Cux-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-24 _Entry.Accession_date 2007-01-24 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 N. Nameki . . . 10094 2 N. Tochio . . . 10094 3 S. Koshiba . . . 10094 4 T. Kigawa . . . 10094 5 S. Yokoyama . . . 10094 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10094 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10094 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 462 10094 '15N chemical shifts' 103 10094 '1H chemical shifts' 734 10094 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-14 2007-01-24 original author . 10094 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WH8 'BMRB Entry Tracking System' 10094 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10094 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the third CUT domain of human Homeobox protein Cux-2' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Nameki . . . 10094 1 2 N. Tochio . . . 10094 1 3 S. Koshiba . . . 10094 1 4 T. Kigawa . . . 10094 1 5 S. Yokoyama . . . 10094 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10094 _Assembly.ID 1 _Assembly.Name 'Homeobox protein Cux-2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10094 1 stop_ 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 'Homeobox protein Cux-2' 1 $entity_1 . . yes native no no . . . 10094 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1WH8 . . . . . . 10094 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10094 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CUT domain' _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 ; GSSGSSGYSGSQAPGGIQEI VAMSPELDTYSITKRVKEVL TDNNLGQRLFGESILGLTQG SVSDLLSRPKPWHKLSLKGR EPFVRMQLWLNDPHNVEKLR DMKKLSGPSSG ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WH8 . "Solution Structure Of The Third Cut Domain Of Human Homeobox Protein Cux-2" . . . . . 100.00 111 100.00 100.00 2.22e-72 . . . . 10094 1 2 no REF XP_002823799 . "PREDICTED: homeobox protein cut-like 2 [Pongo abelii]" . . . . . 88.29 460 100.00 100.00 2.44e-61 . . . . 10094 1 3 no REF XP_006109587 . "PREDICTED: homeobox protein cut-like 2 [Myotis lucifugus]" . . . . . 87.39 197 98.97 98.97 7.54e-61 . . . . 10094 1 4 no REF XP_009684359 . "PREDICTED: homeobox protein cut-like 2 [Struthio camelus australis]" . . . . . 74.77 221 98.80 100.00 1.34e-50 . . . . 10094 1 5 no REF XP_011887772 . "PREDICTED: homeobox protein cut-like 1 [Cercocebus atys]" . . . . . 54.05 122 100.00 100.00 2.26e-34 . . . . 10094 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CUT domain' . 10094 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10094 1 2 . SER . 10094 1 3 . SER . 10094 1 4 . GLY . 10094 1 5 . SER . 10094 1 6 . SER . 10094 1 7 . GLY . 10094 1 8 . TYR . 10094 1 9 . SER . 10094 1 10 . GLY . 10094 1 11 . SER . 10094 1 12 . GLN . 10094 1 13 . ALA . 10094 1 14 . PRO . 10094 1 15 . GLY . 10094 1 16 . GLY . 10094 1 17 . ILE . 10094 1 18 . GLN . 10094 1 19 . GLU . 10094 1 20 . ILE . 10094 1 21 . VAL . 10094 1 22 . ALA . 10094 1 23 . MET . 10094 1 24 . SER . 10094 1 25 . PRO . 10094 1 26 . GLU . 10094 1 27 . LEU . 10094 1 28 . ASP . 10094 1 29 . THR . 10094 1 30 . TYR . 10094 1 31 . SER . 10094 1 32 . ILE . 10094 1 33 . THR . 10094 1 34 . LYS . 10094 1 35 . ARG . 10094 1 36 . VAL . 10094 1 37 . LYS . 10094 1 38 . GLU . 10094 1 39 . VAL . 10094 1 40 . LEU . 10094 1 41 . THR . 10094 1 42 . ASP . 10094 1 43 . ASN . 10094 1 44 . ASN . 10094 1 45 . LEU . 10094 1 46 . GLY . 10094 1 47 . GLN . 10094 1 48 . ARG . 10094 1 49 . LEU . 10094 1 50 . PHE . 10094 1 51 . GLY . 10094 1 52 . GLU . 10094 1 53 . SER . 10094 1 54 . ILE . 10094 1 55 . LEU . 10094 1 56 . GLY . 10094 1 57 . LEU . 10094 1 58 . THR . 10094 1 59 . GLN . 10094 1 60 . GLY . 10094 1 61 . SER . 10094 1 62 . VAL . 10094 1 63 . SER . 10094 1 64 . ASP . 10094 1 65 . LEU . 10094 1 66 . LEU . 10094 1 67 . SER . 10094 1 68 . ARG . 10094 1 69 . PRO . 10094 1 70 . LYS . 10094 1 71 . PRO . 10094 1 72 . TRP . 10094 1 73 . HIS . 10094 1 74 . LYS . 10094 1 75 . LEU . 10094 1 76 . SER . 10094 1 77 . LEU . 10094 1 78 . LYS . 10094 1 79 . GLY . 10094 1 80 . ARG . 10094 1 81 . GLU . 10094 1 82 . PRO . 10094 1 83 . PHE . 10094 1 84 . VAL . 10094 1 85 . ARG . 10094 1 86 . MET . 10094 1 87 . GLN . 10094 1 88 . LEU . 10094 1 89 . TRP . 10094 1 90 . LEU . 10094 1 91 . ASN . 10094 1 92 . ASP . 10094 1 93 . PRO . 10094 1 94 . HIS . 10094 1 95 . ASN . 10094 1 96 . VAL . 10094 1 97 . GLU . 10094 1 98 . LYS . 10094 1 99 . LEU . 10094 1 100 . ARG . 10094 1 101 . ASP . 10094 1 102 . MET . 10094 1 103 . LYS . 10094 1 104 . LYS . 10094 1 105 . LEU . 10094 1 106 . SER . 10094 1 107 . GLY . 10094 1 108 . PRO . 10094 1 109 . SER . 10094 1 110 . SER . 10094 1 111 . GLY . 10094 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10094 1 . SER 2 2 10094 1 . SER 3 3 10094 1 . GLY 4 4 10094 1 . SER 5 5 10094 1 . SER 6 6 10094 1 . GLY 7 7 10094 1 . TYR 8 8 10094 1 . SER 9 9 10094 1 . GLY 10 10 10094 1 . SER 11 11 10094 1 . GLN 12 12 10094 1 . ALA 13 13 10094 1 . PRO 14 14 10094 1 . GLY 15 15 10094 1 . GLY 16 16 10094 1 . ILE 17 17 10094 1 . GLN 18 18 10094 1 . GLU 19 19 10094 1 . ILE 20 20 10094 1 . VAL 21 21 10094 1 . ALA 22 22 10094 1 . MET 23 23 10094 1 . SER 24 24 10094 1 . PRO 25 25 10094 1 . GLU 26 26 10094 1 . LEU 27 27 10094 1 . ASP 28 28 10094 1 . THR 29 29 10094 1 . TYR 30 30 10094 1 . SER 31 31 10094 1 . ILE 32 32 10094 1 . THR 33 33 10094 1 . LYS 34 34 10094 1 . ARG 35 35 10094 1 . VAL 36 36 10094 1 . LYS 37 37 10094 1 . GLU 38 38 10094 1 . VAL 39 39 10094 1 . LEU 40 40 10094 1 . THR 41 41 10094 1 . ASP 42 42 10094 1 . ASN 43 43 10094 1 . ASN 44 44 10094 1 . LEU 45 45 10094 1 . GLY 46 46 10094 1 . GLN 47 47 10094 1 . ARG 48 48 10094 1 . LEU 49 49 10094 1 . PHE 50 50 10094 1 . GLY 51 51 10094 1 . GLU 52 52 10094 1 . SER 53 53 10094 1 . ILE 54 54 10094 1 . LEU 55 55 10094 1 . GLY 56 56 10094 1 . LEU 57 57 10094 1 . THR 58 58 10094 1 . GLN 59 59 10094 1 . GLY 60 60 10094 1 . SER 61 61 10094 1 . VAL 62 62 10094 1 . SER 63 63 10094 1 . ASP 64 64 10094 1 . LEU 65 65 10094 1 . LEU 66 66 10094 1 . SER 67 67 10094 1 . ARG 68 68 10094 1 . PRO 69 69 10094 1 . LYS 70 70 10094 1 . PRO 71 71 10094 1 . TRP 72 72 10094 1 . HIS 73 73 10094 1 . LYS 74 74 10094 1 . LEU 75 75 10094 1 . SER 76 76 10094 1 . LEU 77 77 10094 1 . LYS 78 78 10094 1 . GLY 79 79 10094 1 . ARG 80 80 10094 1 . GLU 81 81 10094 1 . PRO 82 82 10094 1 . PHE 83 83 10094 1 . VAL 84 84 10094 1 . ARG 85 85 10094 1 . MET 86 86 10094 1 . GLN 87 87 10094 1 . LEU 88 88 10094 1 . TRP 89 89 10094 1 . LEU 90 90 10094 1 . ASN 91 91 10094 1 . ASP 92 92 10094 1 . PRO 93 93 10094 1 . HIS 94 94 10094 1 . ASN 95 95 10094 1 . VAL 96 96 10094 1 . GLU 97 97 10094 1 . LYS 98 98 10094 1 . LEU 99 99 10094 1 . ARG 100 100 10094 1 . ASP 101 101 10094 1 . MET 102 102 10094 1 . LYS 103 103 10094 1 . LYS 104 104 10094 1 . LEU 105 105 10094 1 . SER 106 106 10094 1 . GLY 107 107 10094 1 . PRO 108 108 10094 1 . SER 109 109 10094 1 . SER 110 110 10094 1 . GLY 111 111 10094 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 10094 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10094 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 10094 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P040114-59 . . . . . . 10094 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10094 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CUT domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.1 . . mM . . . . 10094 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10094 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10094 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10094 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10094 1 6 H2O . . . . . . solvent 90 . . % . . . . 10094 1 7 D2O . . . . . . solvent 10 . . % . . . . 10094 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10094 _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' 120 0.1 mM 10094 1 pH 7.0 0.05 pH 10094 1 pressure 1 0.001 atm 10094 1 temperature 298 0.1 K 10094 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10094 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10094 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10094 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10094 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10094 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10094 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10094 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10094 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10094 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10094 _Software.ID 4 _Software.Name Kujira _Software.Version 0.901 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10094 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10094 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10094 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10094 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 10094 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 10094 _Software.ID 6 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Billeter, M.' . . 10094 6 'Guntert, P.' . . 10094 6 'Koradi, R.' . . 10094 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10094 6 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 10094 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10094 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10094 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10094 1 stop_ save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10094 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10094 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10094 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 10094 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10094 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10094 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10094 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10094 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10094 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 7 7 GLY HA2 H 1 3.944 0.030 . 2 . . . . 7 GLY HA2 . 10094 1 2 . 1 1 7 7 GLY CA C 13 45.300 0.300 . 1 . . . . 7 GLY CA . 10094 1 3 . 1 1 8 8 TYR H H 1 8.125 0.030 . 1 . . . . 8 TYR H . 10094 1 4 . 1 1 8 8 TYR HA H 1 4.605 0.030 . 1 . . . . 8 TYR HA . 10094 1 5 . 1 1 8 8 TYR HB2 H 1 2.994 0.030 . 1 . . . . 8 TYR HB2 . 10094 1 6 . 1 1 8 8 TYR HB3 H 1 2.994 0.030 . 1 . . . . 8 TYR HB3 . 10094 1 7 . 1 1 8 8 TYR HD1 H 1 7.111 0.030 . 1 . . . . 8 TYR HD1 . 10094 1 8 . 1 1 8 8 TYR HD2 H 1 7.111 0.030 . 1 . . . . 8 TYR HD2 . 10094 1 9 . 1 1 8 8 TYR HE1 H 1 6.817 0.030 . 1 . . . . 8 TYR HE1 . 10094 1 10 . 1 1 8 8 TYR HE2 H 1 6.817 0.030 . 1 . . . . 8 TYR HE2 . 10094 1 11 . 1 1 8 8 TYR CA C 13 58.169 0.300 . 1 . . . . 8 TYR CA . 10094 1 12 . 1 1 8 8 TYR CB C 13 38.970 0.300 . 1 . . . . 8 TYR CB . 10094 1 13 . 1 1 8 8 TYR CD1 C 13 133.424 0.300 . 1 . . . . 8 TYR CD1 . 10094 1 14 . 1 1 8 8 TYR CD2 C 13 133.424 0.300 . 1 . . . . 8 TYR CD2 . 10094 1 15 . 1 1 8 8 TYR CE1 C 13 118.232 0.300 . 1 . . . . 8 TYR CE1 . 10094 1 16 . 1 1 8 8 TYR CE2 C 13 118.232 0.300 . 1 . . . . 8 TYR CE2 . 10094 1 17 . 1 1 8 8 TYR N N 15 120.371 0.300 . 1 . . . . 8 TYR N . 10094 1 18 . 1 1 11 11 SER HA H 1 4.429 0.030 . 1 . . . . 11 SER HA . 10094 1 19 . 1 1 11 11 SER HB2 H 1 3.868 0.030 . 1 . . . . 11 SER HB2 . 10094 1 20 . 1 1 11 11 SER HB3 H 1 3.868 0.030 . 1 . . . . 11 SER HB3 . 10094 1 21 . 1 1 11 11 SER C C 13 174.560 0.300 . 1 . . . . 11 SER C . 10094 1 22 . 1 1 11 11 SER CA C 13 58.556 0.300 . 1 . . . . 11 SER CA . 10094 1 23 . 1 1 11 11 SER CB C 13 63.922 0.300 . 1 . . . . 11 SER CB . 10094 1 24 . 1 1 12 12 GLN H H 1 8.376 0.030 . 1 . . . . 12 GLN H . 10094 1 25 . 1 1 12 12 GLN HA H 1 4.363 0.030 . 1 . . . . 12 GLN HA . 10094 1 26 . 1 1 12 12 GLN HB2 H 1 2.120 0.030 . 2 . . . . 12 GLN HB2 . 10094 1 27 . 1 1 12 12 GLN HB3 H 1 1.963 0.030 . 2 . . . . 12 GLN HB3 . 10094 1 28 . 1 1 12 12 GLN HG2 H 1 2.339 0.030 . 1 . . . . 12 GLN HG2 . 10094 1 29 . 1 1 12 12 GLN HG3 H 1 2.339 0.030 . 1 . . . . 12 GLN HG3 . 10094 1 30 . 1 1 12 12 GLN HE21 H 1 7.508 0.030 . 2 . . . . 12 GLN HE21 . 10094 1 31 . 1 1 12 12 GLN HE22 H 1 6.818 0.030 . 2 . . . . 12 GLN HE22 . 10094 1 32 . 1 1 12 12 GLN C C 13 175.251 0.300 . 1 . . . . 12 GLN C . 10094 1 33 . 1 1 12 12 GLN CA C 13 55.556 0.300 . 1 . . . . 12 GLN CA . 10094 1 34 . 1 1 12 12 GLN CB C 13 29.515 0.300 . 1 . . . . 12 GLN CB . 10094 1 35 . 1 1 12 12 GLN CG C 13 33.891 0.300 . 1 . . . . 12 GLN CG . 10094 1 36 . 1 1 12 12 GLN N N 15 121.795 0.300 . 1 . . . . 12 GLN N . 10094 1 37 . 1 1 12 12 GLN NE2 N 15 112.516 0.300 . 1 . . . . 12 GLN NE2 . 10094 1 38 . 1 1 13 13 ALA H H 1 8.265 0.030 . 1 . . . . 13 ALA H . 10094 1 39 . 1 1 13 13 ALA HA H 1 4.532 0.030 . 1 . . . . 13 ALA HA . 10094 1 40 . 1 1 13 13 ALA HB1 H 1 1.330 0.030 . 1 . . . . 13 ALA HB . 10094 1 41 . 1 1 13 13 ALA HB2 H 1 1.330 0.030 . 1 . . . . 13 ALA HB . 10094 1 42 . 1 1 13 13 ALA HB3 H 1 1.330 0.030 . 1 . . . . 13 ALA HB . 10094 1 43 . 1 1 13 13 ALA C C 13 175.251 0.300 . 1 . . . . 13 ALA C . 10094 1 44 . 1 1 13 13 ALA CA C 13 50.576 0.300 . 1 . . . . 13 ALA CA . 10094 1 45 . 1 1 13 13 ALA CB C 13 18.226 0.300 . 1 . . . . 13 ALA CB . 10094 1 46 . 1 1 13 13 ALA N N 15 126.391 0.300 . 1 . . . . 13 ALA N . 10094 1 47 . 1 1 14 14 PRO HA H 1 4.428 0.030 . 1 . . . . 14 PRO HA . 10094 1 48 . 1 1 14 14 PRO HB2 H 1 2.305 0.030 . 2 . . . . 14 PRO HB2 . 10094 1 49 . 1 1 14 14 PRO HB3 H 1 1.948 0.030 . 2 . . . . 14 PRO HB3 . 10094 1 50 . 1 1 14 14 PRO HG2 H 1 2.021 0.030 . 1 . . . . 14 PRO HG2 . 10094 1 51 . 1 1 14 14 PRO HG3 H 1 2.021 0.030 . 1 . . . . 14 PRO HG3 . 10094 1 52 . 1 1 14 14 PRO HD2 H 1 3.760 0.030 . 2 . . . . 14 PRO HD2 . 10094 1 53 . 1 1 14 14 PRO HD3 H 1 3.634 0.030 . 2 . . . . 14 PRO HD3 . 10094 1 54 . 1 1 14 14 PRO C C 13 177.703 0.300 . 1 . . . . 14 PRO C . 10094 1 55 . 1 1 14 14 PRO CA C 13 63.612 0.300 . 1 . . . . 14 PRO CA . 10094 1 56 . 1 1 14 14 PRO CB C 13 32.027 0.300 . 1 . . . . 14 PRO CB . 10094 1 57 . 1 1 14 14 PRO CG C 13 27.434 0.300 . 1 . . . . 14 PRO CG . 10094 1 58 . 1 1 14 14 PRO CD C 13 50.517 0.300 . 1 . . . . 14 PRO CD . 10094 1 59 . 1 1 15 15 GLY H H 1 8.571 0.030 . 1 . . . . 15 GLY H . 10094 1 60 . 1 1 15 15 GLY HA2 H 1 3.957 0.030 . 1 . . . . 15 GLY HA2 . 10094 1 61 . 1 1 15 15 GLY HA3 H 1 3.957 0.030 . 1 . . . . 15 GLY HA3 . 10094 1 62 . 1 1 15 15 GLY C C 13 174.822 0.300 . 1 . . . . 15 GLY C . 10094 1 63 . 1 1 15 15 GLY CA C 13 45.348 0.300 . 1 . . . . 15 GLY CA . 10094 1 64 . 1 1 15 15 GLY N N 15 109.237 0.300 . 1 . . . . 15 GLY N . 10094 1 65 . 1 1 16 16 GLY H H 1 8.270 0.030 . 1 . . . . 16 GLY H . 10094 1 66 . 1 1 16 16 GLY HA2 H 1 4.082 0.030 . 2 . . . . 16 GLY HA2 . 10094 1 67 . 1 1 16 16 GLY HA3 H 1 3.973 0.030 . 2 . . . . 16 GLY HA3 . 10094 1 68 . 1 1 16 16 GLY C C 13 175.121 0.300 . 1 . . . . 16 GLY C . 10094 1 69 . 1 1 16 16 GLY CA C 13 45.447 0.300 . 1 . . . . 16 GLY CA . 10094 1 70 . 1 1 16 16 GLY N N 15 108.654 0.300 . 1 . . . . 16 GLY N . 10094 1 71 . 1 1 17 17 ILE H H 1 8.357 0.030 . 1 . . . . 17 ILE H . 10094 1 72 . 1 1 17 17 ILE HA H 1 4.238 0.030 . 1 . . . . 17 ILE HA . 10094 1 73 . 1 1 17 17 ILE HB H 1 1.954 0.030 . 1 . . . . 17 ILE HB . 10094 1 74 . 1 1 17 17 ILE HG12 H 1 1.280 0.030 . 2 . . . . 17 ILE HG12 . 10094 1 75 . 1 1 17 17 ILE HG13 H 1 1.368 0.030 . 2 . . . . 17 ILE HG13 . 10094 1 76 . 1 1 17 17 ILE HG21 H 1 0.902 0.030 . 1 . . . . 17 ILE HG2 . 10094 1 77 . 1 1 17 17 ILE HG22 H 1 0.902 0.030 . 1 . . . . 17 ILE HG2 . 10094 1 78 . 1 1 17 17 ILE HG23 H 1 0.902 0.030 . 1 . . . . 17 ILE HG2 . 10094 1 79 . 1 1 17 17 ILE HD11 H 1 0.845 0.030 . 1 . . . . 17 ILE HD1 . 10094 1 80 . 1 1 17 17 ILE HD12 H 1 0.845 0.030 . 1 . . . . 17 ILE HD1 . 10094 1 81 . 1 1 17 17 ILE HD13 H 1 0.845 0.030 . 1 . . . . 17 ILE HD1 . 10094 1 82 . 1 1 17 17 ILE C C 13 176.566 0.300 . 1 . . . . 17 ILE C . 10094 1 83 . 1 1 17 17 ILE CA C 13 61.166 0.300 . 1 . . . . 17 ILE CA . 10094 1 84 . 1 1 17 17 ILE CB C 13 38.287 0.300 . 1 . . . . 17 ILE CB . 10094 1 85 . 1 1 17 17 ILE CG1 C 13 28.397 0.300 . 1 . . . . 17 ILE CG1 . 10094 1 86 . 1 1 17 17 ILE CG2 C 13 18.019 0.300 . 1 . . . . 17 ILE CG2 . 10094 1 87 . 1 1 17 17 ILE CD1 C 13 13.364 0.300 . 1 . . . . 17 ILE CD1 . 10094 1 88 . 1 1 17 17 ILE N N 15 120.160 0.300 . 1 . . . . 17 ILE N . 10094 1 89 . 1 1 18 18 GLN H H 1 8.554 0.030 . 1 . . . . 18 GLN H . 10094 1 90 . 1 1 18 18 GLN HA H 1 4.015 0.030 . 1 . . . . 18 GLN HA . 10094 1 91 . 1 1 18 18 GLN HB2 H 1 2.090 0.030 . 1 . . . . 18 GLN HB2 . 10094 1 92 . 1 1 18 18 GLN HB3 H 1 2.090 0.030 . 1 . . . . 18 GLN HB3 . 10094 1 93 . 1 1 18 18 GLN HG2 H 1 2.428 0.030 . 1 . . . . 18 GLN HG2 . 10094 1 94 . 1 1 18 18 GLN HG3 H 1 2.428 0.030 . 1 . . . . 18 GLN HG3 . 10094 1 95 . 1 1 18 18 GLN HE21 H 1 7.780 0.030 . 2 . . . . 18 GLN HE21 . 10094 1 96 . 1 1 18 18 GLN HE22 H 1 6.799 0.030 . 2 . . . . 18 GLN HE22 . 10094 1 97 . 1 1 18 18 GLN C C 13 178.184 0.300 . 1 . . . . 18 GLN C . 10094 1 98 . 1 1 18 18 GLN CA C 13 59.356 0.300 . 1 . . . . 18 GLN CA . 10094 1 99 . 1 1 18 18 GLN CB C 13 28.134 0.300 . 1 . . . . 18 GLN CB . 10094 1 100 . 1 1 18 18 GLN CG C 13 34.471 0.300 . 1 . . . . 18 GLN CG . 10094 1 101 . 1 1 18 18 GLN N N 15 121.810 0.300 . 1 . . . . 18 GLN N . 10094 1 102 . 1 1 18 18 GLN NE2 N 15 112.582 0.300 . 1 . . . . 18 GLN NE2 . 10094 1 103 . 1 1 19 19 GLU H H 1 8.090 0.030 . 1 . . . . 19 GLU H . 10094 1 104 . 1 1 19 19 GLU HA H 1 4.136 0.030 . 1 . . . . 19 GLU HA . 10094 1 105 . 1 1 19 19 GLU HB2 H 1 2.057 0.030 . 2 . . . . 19 GLU HB2 . 10094 1 106 . 1 1 19 19 GLU HB3 H 1 2.109 0.030 . 2 . . . . 19 GLU HB3 . 10094 1 107 . 1 1 19 19 GLU HG2 H 1 2.284 0.030 . 1 . . . . 19 GLU HG2 . 10094 1 108 . 1 1 19 19 GLU HG3 H 1 2.284 0.030 . 1 . . . . 19 GLU HG3 . 10094 1 109 . 1 1 19 19 GLU C C 13 178.038 0.300 . 1 . . . . 19 GLU C . 10094 1 110 . 1 1 19 19 GLU CA C 13 59.158 0.300 . 1 . . . . 19 GLU CA . 10094 1 111 . 1 1 19 19 GLU CB C 13 29.546 0.300 . 1 . . . . 19 GLU CB . 10094 1 112 . 1 1 19 19 GLU CG C 13 36.812 0.300 . 1 . . . . 19 GLU CG . 10094 1 113 . 1 1 19 19 GLU N N 15 120.457 0.300 . 1 . . . . 19 GLU N . 10094 1 114 . 1 1 20 20 ILE H H 1 7.630 0.030 . 1 . . . . 20 ILE H . 10094 1 115 . 1 1 20 20 ILE HA H 1 3.825 0.030 . 1 . . . . 20 ILE HA . 10094 1 116 . 1 1 20 20 ILE HB H 1 2.009 0.030 . 1 . . . . 20 ILE HB . 10094 1 117 . 1 1 20 20 ILE HG12 H 1 1.174 0.030 . 2 . . . . 20 ILE HG12 . 10094 1 118 . 1 1 20 20 ILE HG13 H 1 1.660 0.030 . 2 . . . . 20 ILE HG13 . 10094 1 119 . 1 1 20 20 ILE HG21 H 1 0.943 0.030 . 1 . . . . 20 ILE HG2 . 10094 1 120 . 1 1 20 20 ILE HG22 H 1 0.943 0.030 . 1 . . . . 20 ILE HG2 . 10094 1 121 . 1 1 20 20 ILE HG23 H 1 0.943 0.030 . 1 . . . . 20 ILE HG2 . 10094 1 122 . 1 1 20 20 ILE HD11 H 1 0.836 0.030 . 1 . . . . 20 ILE HD1 . 10094 1 123 . 1 1 20 20 ILE HD12 H 1 0.836 0.030 . 1 . . . . 20 ILE HD1 . 10094 1 124 . 1 1 20 20 ILE HD13 H 1 0.836 0.030 . 1 . . . . 20 ILE HD1 . 10094 1 125 . 1 1 20 20 ILE C C 13 179.276 0.300 . 1 . . . . 20 ILE C . 10094 1 126 . 1 1 20 20 ILE CA C 13 64.088 0.300 . 1 . . . . 20 ILE CA . 10094 1 127 . 1 1 20 20 ILE CB C 13 37.908 0.300 . 1 . . . . 20 ILE CB . 10094 1 128 . 1 1 20 20 ILE CG1 C 13 28.407 0.300 . 1 . . . . 20 ILE CG1 . 10094 1 129 . 1 1 20 20 ILE CG2 C 13 17.777 0.300 . 1 . . . . 20 ILE CG2 . 10094 1 130 . 1 1 20 20 ILE CD1 C 13 12.998 0.300 . 1 . . . . 20 ILE CD1 . 10094 1 131 . 1 1 20 20 ILE N N 15 119.670 0.300 . 1 . . . . 20 ILE N . 10094 1 132 . 1 1 21 21 VAL H H 1 8.433 0.030 . 1 . . . . 21 VAL H . 10094 1 133 . 1 1 21 21 VAL HA H 1 3.754 0.030 . 1 . . . . 21 VAL HA . 10094 1 134 . 1 1 21 21 VAL HB H 1 2.235 0.030 . 1 . . . . 21 VAL HB . 10094 1 135 . 1 1 21 21 VAL HG11 H 1 1.103 0.030 . 1 . . . . 21 VAL HG1 . 10094 1 136 . 1 1 21 21 VAL HG12 H 1 1.103 0.030 . 1 . . . . 21 VAL HG1 . 10094 1 137 . 1 1 21 21 VAL HG13 H 1 1.103 0.030 . 1 . . . . 21 VAL HG1 . 10094 1 138 . 1 1 21 21 VAL HG21 H 1 1.045 0.030 . 1 . . . . 21 VAL HG2 . 10094 1 139 . 1 1 21 21 VAL HG22 H 1 1.045 0.030 . 1 . . . . 21 VAL HG2 . 10094 1 140 . 1 1 21 21 VAL HG23 H 1 1.045 0.030 . 1 . . . . 21 VAL HG2 . 10094 1 141 . 1 1 21 21 VAL C C 13 178.193 0.300 . 1 . . . . 21 VAL C . 10094 1 142 . 1 1 21 21 VAL CA C 13 66.182 0.300 . 1 . . . . 21 VAL CA . 10094 1 143 . 1 1 21 21 VAL CB C 13 31.754 0.300 . 1 . . . . 21 VAL CB . 10094 1 144 . 1 1 21 21 VAL CG1 C 13 23.063 0.300 . 2 . . . . 21 VAL CG1 . 10094 1 145 . 1 1 21 21 VAL CG2 C 13 22.520 0.300 . 2 . . . . 21 VAL CG2 . 10094 1 146 . 1 1 21 21 VAL N N 15 120.198 0.300 . 1 . . . . 21 VAL N . 10094 1 147 . 1 1 22 22 ALA H H 1 8.088 0.030 . 1 . . . . 22 ALA H . 10094 1 148 . 1 1 22 22 ALA HA H 1 4.112 0.030 . 1 . . . . 22 ALA HA . 10094 1 149 . 1 1 22 22 ALA HB1 H 1 1.528 0.030 . 1 . . . . 22 ALA HB . 10094 1 150 . 1 1 22 22 ALA HB2 H 1 1.528 0.030 . 1 . . . . 22 ALA HB . 10094 1 151 . 1 1 22 22 ALA HB3 H 1 1.528 0.030 . 1 . . . . 22 ALA HB . 10094 1 152 . 1 1 22 22 ALA C C 13 178.816 0.300 . 1 . . . . 22 ALA C . 10094 1 153 . 1 1 22 22 ALA CA C 13 54.645 0.300 . 1 . . . . 22 ALA CA . 10094 1 154 . 1 1 22 22 ALA CB C 13 18.450 0.300 . 1 . . . . 22 ALA CB . 10094 1 155 . 1 1 22 22 ALA N N 15 121.852 0.300 . 1 . . . . 22 ALA N . 10094 1 156 . 1 1 23 23 MET H H 1 7.573 0.030 . 1 . . . . 23 MET H . 10094 1 157 . 1 1 23 23 MET HA H 1 4.650 0.030 . 1 . . . . 23 MET HA . 10094 1 158 . 1 1 23 23 MET HB2 H 1 2.249 0.030 . 2 . . . . 23 MET HB2 . 10094 1 159 . 1 1 23 23 MET HB3 H 1 2.090 0.030 . 2 . . . . 23 MET HB3 . 10094 1 160 . 1 1 23 23 MET HG2 H 1 2.736 0.030 . 2 . . . . 23 MET HG2 . 10094 1 161 . 1 1 23 23 MET HG3 H 1 2.680 0.030 . 2 . . . . 23 MET HG3 . 10094 1 162 . 1 1 23 23 MET HE1 H 1 2.105 0.030 . 1 . . . . 23 MET HE . 10094 1 163 . 1 1 23 23 MET HE2 H 1 2.105 0.030 . 1 . . . . 23 MET HE . 10094 1 164 . 1 1 23 23 MET HE3 H 1 2.105 0.030 . 1 . . . . 23 MET HE . 10094 1 165 . 1 1 23 23 MET C C 13 176.002 0.300 . 1 . . . . 23 MET C . 10094 1 166 . 1 1 23 23 MET CA C 13 54.646 0.300 . 1 . . . . 23 MET CA . 10094 1 167 . 1 1 23 23 MET CB C 13 33.034 0.300 . 1 . . . . 23 MET CB . 10094 1 168 . 1 1 23 23 MET CG C 13 32.062 0.300 . 1 . . . . 23 MET CG . 10094 1 169 . 1 1 23 23 MET CE C 13 16.828 0.300 . 1 . . . . 23 MET CE . 10094 1 170 . 1 1 23 23 MET N N 15 113.998 0.300 . 1 . . . . 23 MET N . 10094 1 171 . 1 1 24 24 SER H H 1 7.556 0.030 . 1 . . . . 24 SER H . 10094 1 172 . 1 1 24 24 SER HA H 1 4.704 0.030 . 1 . . . . 24 SER HA . 10094 1 173 . 1 1 24 24 SER HB2 H 1 4.169 0.030 . 1 . . . . 24 SER HB2 . 10094 1 174 . 1 1 24 24 SER HB3 H 1 4.169 0.030 . 1 . . . . 24 SER HB3 . 10094 1 175 . 1 1 24 24 SER C C 13 176.002 0.300 . 1 . . . . 24 SER C . 10094 1 176 . 1 1 24 24 SER CA C 13 57.039 0.300 . 1 . . . . 24 SER CA . 10094 1 177 . 1 1 24 24 SER CB C 13 64.873 0.300 . 1 . . . . 24 SER CB . 10094 1 178 . 1 1 24 24 SER N N 15 117.131 0.300 . 1 . . . . 24 SER N . 10094 1 179 . 1 1 25 25 PRO HA H 1 4.623 0.030 . 1 . . . . 25 PRO HA . 10094 1 180 . 1 1 25 25 PRO HB2 H 1 2.271 0.030 . 2 . . . . 25 PRO HB2 . 10094 1 181 . 1 1 25 25 PRO HB3 H 1 1.819 0.030 . 2 . . . . 25 PRO HB3 . 10094 1 182 . 1 1 25 25 PRO HG2 H 1 1.741 0.030 . 2 . . . . 25 PRO HG2 . 10094 1 183 . 1 1 25 25 PRO HG3 H 1 1.957 0.030 . 2 . . . . 25 PRO HG3 . 10094 1 184 . 1 1 25 25 PRO HD2 H 1 3.830 0.030 . 2 . . . . 25 PRO HD2 . 10094 1 185 . 1 1 25 25 PRO HD3 H 1 3.763 0.030 . 2 . . . . 25 PRO HD3 . 10094 1 186 . 1 1 25 25 PRO C C 13 174.513 0.300 . 1 . . . . 25 PRO C . 10094 1 187 . 1 1 25 25 PRO CA C 13 62.676 0.300 . 1 . . . . 25 PRO CA . 10094 1 188 . 1 1 25 25 PRO CB C 13 32.367 0.300 . 1 . . . . 25 PRO CB . 10094 1 189 . 1 1 25 25 PRO CG C 13 26.903 0.300 . 1 . . . . 25 PRO CG . 10094 1 190 . 1 1 25 25 PRO CD C 13 50.940 0.300 . 1 . . . . 25 PRO CD . 10094 1 191 . 1 1 26 26 GLU H H 1 8.063 0.030 . 1 . . . . 26 GLU H . 10094 1 192 . 1 1 26 26 GLU HA H 1 2.389 0.030 . 1 . . . . 26 GLU HA . 10094 1 193 . 1 1 26 26 GLU HB2 H 1 1.772 0.030 . 2 . . . . 26 GLU HB2 . 10094 1 194 . 1 1 26 26 GLU HB3 H 1 1.631 0.030 . 2 . . . . 26 GLU HB3 . 10094 1 195 . 1 1 26 26 GLU HG2 H 1 2.057 0.030 . 2 . . . . 26 GLU HG2 . 10094 1 196 . 1 1 26 26 GLU HG3 H 1 1.917 0.030 . 2 . . . . 26 GLU HG3 . 10094 1 197 . 1 1 26 26 GLU C C 13 174.513 0.300 . 1 . . . . 26 GLU C . 10094 1 198 . 1 1 26 26 GLU CA C 13 56.934 0.300 . 1 . . . . 26 GLU CA . 10094 1 199 . 1 1 26 26 GLU CB C 13 29.421 0.300 . 1 . . . . 26 GLU CB . 10094 1 200 . 1 1 26 26 GLU CG C 13 35.795 0.300 . 1 . . . . 26 GLU CG . 10094 1 201 . 1 1 26 26 GLU N N 15 117.559 0.300 . 1 . . . . 26 GLU N . 10094 1 202 . 1 1 27 27 LEU H H 1 4.254 0.030 . 1 . . . . 27 LEU H . 10094 1 203 . 1 1 27 27 LEU HA H 1 4.177 0.030 . 1 . . . . 27 LEU HA . 10094 1 204 . 1 1 27 27 LEU HB2 H 1 0.861 0.030 . 2 . . . . 27 LEU HB2 . 10094 1 205 . 1 1 27 27 LEU HB3 H 1 0.980 0.030 . 2 . . . . 27 LEU HB3 . 10094 1 206 . 1 1 27 27 LEU HG H 1 0.834 0.030 . 1 . . . . 27 LEU HG . 10094 1 207 . 1 1 27 27 LEU HD11 H 1 0.502 0.030 . 1 . . . . 27 LEU HD1 . 10094 1 208 . 1 1 27 27 LEU HD12 H 1 0.502 0.030 . 1 . . . . 27 LEU HD1 . 10094 1 209 . 1 1 27 27 LEU HD13 H 1 0.502 0.030 . 1 . . . . 27 LEU HD1 . 10094 1 210 . 1 1 27 27 LEU HD21 H 1 0.705 0.030 . 1 . . . . 27 LEU HD2 . 10094 1 211 . 1 1 27 27 LEU HD22 H 1 0.705 0.030 . 1 . . . . 27 LEU HD2 . 10094 1 212 . 1 1 27 27 LEU HD23 H 1 0.705 0.030 . 1 . . . . 27 LEU HD2 . 10094 1 213 . 1 1 27 27 LEU C C 13 175.133 0.300 . 1 . . . . 27 LEU C . 10094 1 214 . 1 1 27 27 LEU CA C 13 52.364 0.300 . 1 . . . . 27 LEU CA . 10094 1 215 . 1 1 27 27 LEU CB C 13 42.828 0.300 . 1 . . . . 27 LEU CB . 10094 1 216 . 1 1 27 27 LEU CG C 13 25.605 0.300 . 1 . . . . 27 LEU CG . 10094 1 217 . 1 1 27 27 LEU CD1 C 13 22.227 0.300 . 2 . . . . 27 LEU CD1 . 10094 1 218 . 1 1 27 27 LEU CD2 C 13 25.549 0.300 . 2 . . . . 27 LEU CD2 . 10094 1 219 . 1 1 28 28 ASP H H 1 8.442 0.030 . 1 . . . . 28 ASP H . 10094 1 220 . 1 1 28 28 ASP HA H 1 4.814 0.030 . 1 . . . . 28 ASP HA . 10094 1 221 . 1 1 28 28 ASP HB2 H 1 3.064 0.030 . 2 . . . . 28 ASP HB2 . 10094 1 222 . 1 1 28 28 ASP HB3 H 1 2.579 0.030 . 2 . . . . 28 ASP HB3 . 10094 1 223 . 1 1 28 28 ASP C C 13 176.622 0.300 . 1 . . . . 28 ASP C . 10094 1 224 . 1 1 28 28 ASP CA C 13 52.271 0.300 . 1 . . . . 28 ASP CA . 10094 1 225 . 1 1 28 28 ASP CB C 13 40.298 0.300 . 1 . . . . 28 ASP CB . 10094 1 226 . 1 1 28 28 ASP N N 15 120.472 0.300 . 1 . . . . 28 ASP N . 10094 1 227 . 1 1 29 29 THR H H 1 8.403 0.030 . 1 . . . . 29 THR H . 10094 1 228 . 1 1 29 29 THR HA H 1 3.646 0.030 . 1 . . . . 29 THR HA . 10094 1 229 . 1 1 29 29 THR HB H 1 3.587 0.030 . 1 . . . . 29 THR HB . 10094 1 230 . 1 1 29 29 THR HG21 H 1 0.817 0.030 . 1 . . . . 29 THR HG2 . 10094 1 231 . 1 1 29 29 THR HG22 H 1 0.817 0.030 . 1 . . . . 29 THR HG2 . 10094 1 232 . 1 1 29 29 THR HG23 H 1 0.817 0.030 . 1 . . . . 29 THR HG2 . 10094 1 233 . 1 1 29 29 THR C C 13 176.873 0.300 . 1 . . . . 29 THR C . 10094 1 234 . 1 1 29 29 THR CA C 13 64.970 0.300 . 1 . . . . 29 THR CA . 10094 1 235 . 1 1 29 29 THR CB C 13 67.821 0.300 . 1 . . . . 29 THR CB . 10094 1 236 . 1 1 29 29 THR CG2 C 13 22.010 0.300 . 1 . . . . 29 THR CG2 . 10094 1 237 . 1 1 29 29 THR N N 15 116.260 0.300 . 1 . . . . 29 THR N . 10094 1 238 . 1 1 30 30 TYR H H 1 7.937 0.030 . 1 . . . . 30 TYR H . 10094 1 239 . 1 1 30 30 TYR HA H 1 4.125 0.030 . 1 . . . . 30 TYR HA . 10094 1 240 . 1 1 30 30 TYR HB2 H 1 3.150 0.030 . 2 . . . . 30 TYR HB2 . 10094 1 241 . 1 1 30 30 TYR HB3 H 1 3.242 0.030 . 2 . . . . 30 TYR HB3 . 10094 1 242 . 1 1 30 30 TYR HD1 H 1 7.139 0.030 . 1 . . . . 30 TYR HD1 . 10094 1 243 . 1 1 30 30 TYR HD2 H 1 7.139 0.030 . 1 . . . . 30 TYR HD2 . 10094 1 244 . 1 1 30 30 TYR HE1 H 1 6.819 0.030 . 1 . . . . 30 TYR HE1 . 10094 1 245 . 1 1 30 30 TYR HE2 H 1 6.819 0.030 . 1 . . . . 30 TYR HE2 . 10094 1 246 . 1 1 30 30 TYR C C 13 177.486 0.300 . 1 . . . . 30 TYR C . 10094 1 247 . 1 1 30 30 TYR CA C 13 61.370 0.300 . 1 . . . . 30 TYR CA . 10094 1 248 . 1 1 30 30 TYR CB C 13 37.384 0.300 . 1 . . . . 30 TYR CB . 10094 1 249 . 1 1 30 30 TYR CD1 C 13 133.136 0.300 . 1 . . . . 30 TYR CD1 . 10094 1 250 . 1 1 30 30 TYR CD2 C 13 133.136 0.300 . 1 . . . . 30 TYR CD2 . 10094 1 251 . 1 1 30 30 TYR CE1 C 13 118.262 0.300 . 1 . . . . 30 TYR CE1 . 10094 1 252 . 1 1 30 30 TYR CE2 C 13 118.262 0.300 . 1 . . . . 30 TYR CE2 . 10094 1 253 . 1 1 30 30 TYR N N 15 123.617 0.300 . 1 . . . . 30 TYR N . 10094 1 254 . 1 1 31 31 SER H H 1 7.890 0.030 . 1 . . . . 31 SER H . 10094 1 255 . 1 1 31 31 SER HA H 1 4.042 0.030 . 1 . . . . 31 SER HA . 10094 1 256 . 1 1 31 31 SER HB2 H 1 3.911 0.030 . 1 . . . . 31 SER HB2 . 10094 1 257 . 1 1 31 31 SER HB3 H 1 3.911 0.030 . 1 . . . . 31 SER HB3 . 10094 1 258 . 1 1 31 31 SER C C 13 177.451 0.300 . 1 . . . . 31 SER C . 10094 1 259 . 1 1 31 31 SER CA C 13 61.556 0.300 . 1 . . . . 31 SER CA . 10094 1 260 . 1 1 31 31 SER CB C 13 62.703 0.300 . 1 . . . . 31 SER CB . 10094 1 261 . 1 1 31 31 SER N N 15 115.863 0.300 . 1 . . . . 31 SER N . 10094 1 262 . 1 1 32 32 ILE H H 1 8.238 0.030 . 1 . . . . 32 ILE H . 10094 1 263 . 1 1 32 32 ILE HA H 1 3.724 0.030 . 1 . . . . 32 ILE HA . 10094 1 264 . 1 1 32 32 ILE HB H 1 1.932 0.030 . 1 . . . . 32 ILE HB . 10094 1 265 . 1 1 32 32 ILE HG12 H 1 1.223 0.030 . 2 . . . . 32 ILE HG12 . 10094 1 266 . 1 1 32 32 ILE HG13 H 1 1.859 0.030 . 2 . . . . 32 ILE HG13 . 10094 1 267 . 1 1 32 32 ILE HG21 H 1 1.141 0.030 . 1 . . . . 32 ILE HG2 . 10094 1 268 . 1 1 32 32 ILE HG22 H 1 1.141 0.030 . 1 . . . . 32 ILE HG2 . 10094 1 269 . 1 1 32 32 ILE HG23 H 1 1.141 0.030 . 1 . . . . 32 ILE HG2 . 10094 1 270 . 1 1 32 32 ILE HD11 H 1 0.948 0.030 . 1 . . . . 32 ILE HD1 . 10094 1 271 . 1 1 32 32 ILE HD12 H 1 0.948 0.030 . 1 . . . . 32 ILE HD1 . 10094 1 272 . 1 1 32 32 ILE HD13 H 1 0.948 0.030 . 1 . . . . 32 ILE HD1 . 10094 1 273 . 1 1 32 32 ILE C C 13 177.609 0.300 . 1 . . . . 32 ILE C . 10094 1 274 . 1 1 32 32 ILE CA C 13 65.508 0.300 . 1 . . . . 32 ILE CA . 10094 1 275 . 1 1 32 32 ILE CB C 13 38.970 0.300 . 1 . . . . 32 ILE CB . 10094 1 276 . 1 1 32 32 ILE CG1 C 13 29.726 0.300 . 1 . . . . 32 ILE CG1 . 10094 1 277 . 1 1 32 32 ILE CG2 C 13 18.857 0.300 . 1 . . . . 32 ILE CG2 . 10094 1 278 . 1 1 32 32 ILE CD1 C 13 15.387 0.300 . 1 . . . . 32 ILE CD1 . 10094 1 279 . 1 1 32 32 ILE N N 15 120.521 0.300 . 1 . . . . 32 ILE N . 10094 1 280 . 1 1 33 33 THR H H 1 7.811 0.030 . 1 . . . . 33 THR H . 10094 1 281 . 1 1 33 33 THR HA H 1 3.884 0.030 . 1 . . . . 33 THR HA . 10094 1 282 . 1 1 33 33 THR HB H 1 4.415 0.030 . 1 . . . . 33 THR HB . 10094 1 283 . 1 1 33 33 THR HG21 H 1 1.752 0.030 . 1 . . . . 33 THR HG2 . 10094 1 284 . 1 1 33 33 THR HG22 H 1 1.752 0.030 . 1 . . . . 33 THR HG2 . 10094 1 285 . 1 1 33 33 THR HG23 H 1 1.752 0.030 . 1 . . . . 33 THR HG2 . 10094 1 286 . 1 1 33 33 THR C C 13 176.653 0.300 . 1 . . . . 33 THR C . 10094 1 287 . 1 1 33 33 THR CA C 13 66.440 0.300 . 1 . . . . 33 THR CA . 10094 1 288 . 1 1 33 33 THR CB C 13 68.769 0.300 . 1 . . . . 33 THR CB . 10094 1 289 . 1 1 33 33 THR CG2 C 13 23.897 0.300 . 1 . . . . 33 THR CG2 . 10094 1 290 . 1 1 33 33 THR N N 15 109.275 0.300 . 1 . . . . 33 THR N . 10094 1 291 . 1 1 34 34 LYS H H 1 7.925 0.030 . 1 . . . . 34 LYS H . 10094 1 292 . 1 1 34 34 LYS HA H 1 3.901 0.030 . 1 . . . . 34 LYS HA . 10094 1 293 . 1 1 34 34 LYS HB2 H 1 1.718 0.030 . 2 . . . . 34 LYS HB2 . 10094 1 294 . 1 1 34 34 LYS HB3 H 1 1.835 0.030 . 2 . . . . 34 LYS HB3 . 10094 1 295 . 1 1 34 34 LYS HG2 H 1 1.305 0.030 . 2 . . . . 34 LYS HG2 . 10094 1 296 . 1 1 34 34 LYS HG3 H 1 1.430 0.030 . 2 . . . . 34 LYS HG3 . 10094 1 297 . 1 1 34 34 LYS HD2 H 1 1.630 0.030 . 1 . . . . 34 LYS HD2 . 10094 1 298 . 1 1 34 34 LYS HD3 H 1 1.630 0.030 . 1 . . . . 34 LYS HD3 . 10094 1 299 . 1 1 34 34 LYS HE2 H 1 2.996 0.030 . 2 . . . . 34 LYS HE2 . 10094 1 300 . 1 1 34 34 LYS HE3 H 1 2.933 0.030 . 2 . . . . 34 LYS HE3 . 10094 1 301 . 1 1 34 34 LYS C C 13 179.032 0.300 . 1 . . . . 34 LYS C . 10094 1 302 . 1 1 34 34 LYS CA C 13 60.011 0.300 . 1 . . . . 34 LYS CA . 10094 1 303 . 1 1 34 34 LYS CB C 13 32.756 0.300 . 1 . . . . 34 LYS CB . 10094 1 304 . 1 1 34 34 LYS CG C 13 24.699 0.300 . 1 . . . . 34 LYS CG . 10094 1 305 . 1 1 34 34 LYS CD C 13 29.726 0.300 . 1 . . . . 34 LYS CD . 10094 1 306 . 1 1 34 34 LYS CE C 13 42.169 0.300 . 1 . . . . 34 LYS CE . 10094 1 307 . 1 1 34 34 LYS N N 15 123.083 0.300 . 1 . . . . 34 LYS N . 10094 1 308 . 1 1 35 35 ARG H H 1 7.996 0.030 . 1 . . . . 35 ARG H . 10094 1 309 . 1 1 35 35 ARG HA H 1 4.189 0.030 . 1 . . . . 35 ARG HA . 10094 1 310 . 1 1 35 35 ARG HB2 H 1 2.049 0.030 . 2 . . . . 35 ARG HB2 . 10094 1 311 . 1 1 35 35 ARG HB3 H 1 2.004 0.030 . 2 . . . . 35 ARG HB3 . 10094 1 312 . 1 1 35 35 ARG HG2 H 1 1.820 0.030 . 1 . . . . 35 ARG HG2 . 10094 1 313 . 1 1 35 35 ARG HG3 H 1 1.820 0.030 . 1 . . . . 35 ARG HG3 . 10094 1 314 . 1 1 35 35 ARG HD2 H 1 3.374 0.030 . 2 . . . . 35 ARG HD2 . 10094 1 315 . 1 1 35 35 ARG HD3 H 1 3.135 0.030 . 2 . . . . 35 ARG HD3 . 10094 1 316 . 1 1 35 35 ARG HE H 1 7.176 0.030 . 1 . . . . 35 ARG HE . 10094 1 317 . 1 1 35 35 ARG C C 13 178.940 0.300 . 1 . . . . 35 ARG C . 10094 1 318 . 1 1 35 35 ARG CA C 13 58.773 0.300 . 1 . . . . 35 ARG CA . 10094 1 319 . 1 1 35 35 ARG CB C 13 30.437 0.300 . 1 . . . . 35 ARG CB . 10094 1 320 . 1 1 35 35 ARG CG C 13 27.748 0.300 . 1 . . . . 35 ARG CG . 10094 1 321 . 1 1 35 35 ARG CD C 13 43.405 0.300 . 1 . . . . 35 ARG CD . 10094 1 322 . 1 1 35 35 ARG N N 15 118.881 0.300 . 1 . . . . 35 ARG N . 10094 1 323 . 1 1 35 35 ARG NE N 15 85.074 0.300 . 1 . . . . 35 ARG NE . 10094 1 324 . 1 1 36 36 VAL H H 1 8.613 0.030 . 1 . . . . 36 VAL H . 10094 1 325 . 1 1 36 36 VAL HA H 1 3.544 0.030 . 1 . . . . 36 VAL HA . 10094 1 326 . 1 1 36 36 VAL HB H 1 2.041 0.030 . 1 . . . . 36 VAL HB . 10094 1 327 . 1 1 36 36 VAL HG11 H 1 0.160 0.030 . 1 . . . . 36 VAL HG1 . 10094 1 328 . 1 1 36 36 VAL HG12 H 1 0.160 0.030 . 1 . . . . 36 VAL HG1 . 10094 1 329 . 1 1 36 36 VAL HG13 H 1 0.160 0.030 . 1 . . . . 36 VAL HG1 . 10094 1 330 . 1 1 36 36 VAL HG21 H 1 1.172 0.030 . 1 . . . . 36 VAL HG2 . 10094 1 331 . 1 1 36 36 VAL HG22 H 1 1.172 0.030 . 1 . . . . 36 VAL HG2 . 10094 1 332 . 1 1 36 36 VAL HG23 H 1 1.172 0.030 . 1 . . . . 36 VAL HG2 . 10094 1 333 . 1 1 36 36 VAL C C 13 177.274 0.300 . 1 . . . . 36 VAL C . 10094 1 334 . 1 1 36 36 VAL CA C 13 67.574 0.300 . 1 . . . . 36 VAL CA . 10094 1 335 . 1 1 36 36 VAL CB C 13 31.758 0.300 . 1 . . . . 36 VAL CB . 10094 1 336 . 1 1 36 36 VAL CG1 C 13 21.697 0.300 . 2 . . . . 36 VAL CG1 . 10094 1 337 . 1 1 36 36 VAL CG2 C 13 23.607 0.300 . 2 . . . . 36 VAL CG2 . 10094 1 338 . 1 1 36 36 VAL N N 15 119.364 0.300 . 1 . . . . 36 VAL N . 10094 1 339 . 1 1 37 37 LYS H H 1 8.088 0.030 . 1 . . . . 37 LYS H . 10094 1 340 . 1 1 37 37 LYS HA H 1 3.740 0.030 . 1 . . . . 37 LYS HA . 10094 1 341 . 1 1 37 37 LYS HB2 H 1 1.940 0.030 . 2 . . . . 37 LYS HB2 . 10094 1 342 . 1 1 37 37 LYS HB3 H 1 1.851 0.030 . 2 . . . . 37 LYS HB3 . 10094 1 343 . 1 1 37 37 LYS HG2 H 1 1.678 0.030 . 2 . . . . 37 LYS HG2 . 10094 1 344 . 1 1 37 37 LYS HG3 H 1 1.399 0.030 . 2 . . . . 37 LYS HG3 . 10094 1 345 . 1 1 37 37 LYS HD2 H 1 1.680 0.030 . 1 . . . . 37 LYS HD2 . 10094 1 346 . 1 1 37 37 LYS HD3 H 1 1.680 0.030 . 1 . . . . 37 LYS HD3 . 10094 1 347 . 1 1 37 37 LYS HE2 H 1 2.864 0.030 . 2 . . . . 37 LYS HE2 . 10094 1 348 . 1 1 37 37 LYS HE3 H 1 2.963 0.030 . 2 . . . . 37 LYS HE3 . 10094 1 349 . 1 1 37 37 LYS C C 13 179.514 0.300 . 1 . . . . 37 LYS C . 10094 1 350 . 1 1 37 37 LYS CA C 13 60.969 0.300 . 1 . . . . 37 LYS CA . 10094 1 351 . 1 1 37 37 LYS CB C 13 31.997 0.300 . 1 . . . . 37 LYS CB . 10094 1 352 . 1 1 37 37 LYS CG C 13 26.677 0.300 . 1 . . . . 37 LYS CG . 10094 1 353 . 1 1 37 37 LYS CD C 13 29.478 0.300 . 1 . . . . 37 LYS CD . 10094 1 354 . 1 1 37 37 LYS CE C 13 41.916 0.300 . 1 . . . . 37 LYS CE . 10094 1 355 . 1 1 37 37 LYS N N 15 116.614 0.300 . 1 . . . . 37 LYS N . 10094 1 356 . 1 1 38 38 GLU H H 1 7.917 0.030 . 1 . . . . 38 GLU H . 10094 1 357 . 1 1 38 38 GLU HA H 1 4.012 0.030 . 1 . . . . 38 GLU HA . 10094 1 358 . 1 1 38 38 GLU HB2 H 1 2.284 0.030 . 2 . . . . 38 GLU HB2 . 10094 1 359 . 1 1 38 38 GLU HB3 H 1 2.104 0.030 . 2 . . . . 38 GLU HB3 . 10094 1 360 . 1 1 38 38 GLU HG2 H 1 2.524 0.030 . 2 . . . . 38 GLU HG2 . 10094 1 361 . 1 1 38 38 GLU HG3 H 1 2.276 0.030 . 2 . . . . 38 GLU HG3 . 10094 1 362 . 1 1 38 38 GLU C C 13 177.830 0.300 . 1 . . . . 38 GLU C . 10094 1 363 . 1 1 38 38 GLU CA C 13 59.748 0.300 . 1 . . . . 38 GLU CA . 10094 1 364 . 1 1 38 38 GLU CB C 13 29.797 0.300 . 1 . . . . 38 GLU CB . 10094 1 365 . 1 1 38 38 GLU CG C 13 36.462 0.300 . 1 . . . . 38 GLU CG . 10094 1 366 . 1 1 38 38 GLU N N 15 120.458 0.300 . 1 . . . . 38 GLU N . 10094 1 367 . 1 1 39 39 VAL H H 1 8.227 0.030 . 1 . . . . 39 VAL H . 10094 1 368 . 1 1 39 39 VAL HA H 1 3.729 0.030 . 1 . . . . 39 VAL HA . 10094 1 369 . 1 1 39 39 VAL HB H 1 2.246 0.030 . 1 . . . . 39 VAL HB . 10094 1 370 . 1 1 39 39 VAL HG11 H 1 0.886 0.030 . 1 . . . . 39 VAL HG1 . 10094 1 371 . 1 1 39 39 VAL HG12 H 1 0.886 0.030 . 1 . . . . 39 VAL HG1 . 10094 1 372 . 1 1 39 39 VAL HG13 H 1 0.886 0.030 . 1 . . . . 39 VAL HG1 . 10094 1 373 . 1 1 39 39 VAL HG21 H 1 1.065 0.030 . 1 . . . . 39 VAL HG2 . 10094 1 374 . 1 1 39 39 VAL HG22 H 1 1.065 0.030 . 1 . . . . 39 VAL HG2 . 10094 1 375 . 1 1 39 39 VAL HG23 H 1 1.065 0.030 . 1 . . . . 39 VAL HG2 . 10094 1 376 . 1 1 39 39 VAL C C 13 180.425 0.300 . 1 . . . . 39 VAL C . 10094 1 377 . 1 1 39 39 VAL CA C 13 66.801 0.300 . 1 . . . . 39 VAL CA . 10094 1 378 . 1 1 39 39 VAL CB C 13 31.951 0.300 . 1 . . . . 39 VAL CB . 10094 1 379 . 1 1 39 39 VAL CG1 C 13 22.819 0.300 . 2 . . . . 39 VAL CG1 . 10094 1 380 . 1 1 39 39 VAL CG2 C 13 22.521 0.300 . 2 . . . . 39 VAL CG2 . 10094 1 381 . 1 1 39 39 VAL N N 15 119.767 0.300 . 1 . . . . 39 VAL N . 10094 1 382 . 1 1 40 40 LEU H H 1 8.611 0.030 . 1 . . . . 40 LEU H . 10094 1 383 . 1 1 40 40 LEU HA H 1 4.014 0.030 . 1 . . . . 40 LEU HA . 10094 1 384 . 1 1 40 40 LEU HB2 H 1 1.804 0.030 . 2 . . . . 40 LEU HB2 . 10094 1 385 . 1 1 40 40 LEU HB3 H 1 1.690 0.030 . 2 . . . . 40 LEU HB3 . 10094 1 386 . 1 1 40 40 LEU HG H 1 1.742 0.030 . 1 . . . . 40 LEU HG . 10094 1 387 . 1 1 40 40 LEU HD11 H 1 0.145 0.030 . 1 . . . . 40 LEU HD1 . 10094 1 388 . 1 1 40 40 LEU HD12 H 1 0.145 0.030 . 1 . . . . 40 LEU HD1 . 10094 1 389 . 1 1 40 40 LEU HD13 H 1 0.145 0.030 . 1 . . . . 40 LEU HD1 . 10094 1 390 . 1 1 40 40 LEU HD21 H 1 0.429 0.030 . 1 . . . . 40 LEU HD2 . 10094 1 391 . 1 1 40 40 LEU HD22 H 1 0.429 0.030 . 1 . . . . 40 LEU HD2 . 10094 1 392 . 1 1 40 40 LEU HD23 H 1 0.429 0.030 . 1 . . . . 40 LEU HD2 . 10094 1 393 . 1 1 40 40 LEU C C 13 179.568 0.300 . 1 . . . . 40 LEU C . 10094 1 394 . 1 1 40 40 LEU CA C 13 58.935 0.300 . 1 . . . . 40 LEU CA . 10094 1 395 . 1 1 40 40 LEU CB C 13 39.869 0.300 . 1 . . . . 40 LEU CB . 10094 1 396 . 1 1 40 40 LEU CG C 13 25.808 0.300 . 1 . . . . 40 LEU CG . 10094 1 397 . 1 1 40 40 LEU CD1 C 13 25.152 0.300 . 2 . . . . 40 LEU CD1 . 10094 1 398 . 1 1 40 40 LEU CD2 C 13 22.037 0.300 . 2 . . . . 40 LEU CD2 . 10094 1 399 . 1 1 40 40 LEU N N 15 119.276 0.300 . 1 . . . . 40 LEU N . 10094 1 400 . 1 1 41 41 THR H H 1 8.351 0.030 . 1 . . . . 41 THR H . 10094 1 401 . 1 1 41 41 THR HA H 1 4.045 0.030 . 1 . . . . 41 THR HA . 10094 1 402 . 1 1 41 41 THR HB H 1 4.297 0.030 . 1 . . . . 41 THR HB . 10094 1 403 . 1 1 41 41 THR HG21 H 1 1.309 0.030 . 1 . . . . 41 THR HG2 . 10094 1 404 . 1 1 41 41 THR HG22 H 1 1.309 0.030 . 1 . . . . 41 THR HG2 . 10094 1 405 . 1 1 41 41 THR HG23 H 1 1.309 0.030 . 1 . . . . 41 THR HG2 . 10094 1 406 . 1 1 41 41 THR C C 13 178.535 0.300 . 1 . . . . 41 THR C . 10094 1 407 . 1 1 41 41 THR CA C 13 66.669 0.300 . 1 . . . . 41 THR CA . 10094 1 408 . 1 1 41 41 THR CB C 13 68.907 0.300 . 1 . . . . 41 THR CB . 10094 1 409 . 1 1 41 41 THR CG2 C 13 21.562 0.300 . 1 . . . . 41 THR CG2 . 10094 1 410 . 1 1 41 41 THR N N 15 115.536 0.300 . 1 . . . . 41 THR N . 10094 1 411 . 1 1 42 42 ASP H H 1 8.916 0.030 . 1 . . . . 42 ASP H . 10094 1 412 . 1 1 42 42 ASP HA H 1 4.422 0.030 . 1 . . . . 42 ASP HA . 10094 1 413 . 1 1 42 42 ASP HB2 H 1 2.787 0.030 . 2 . . . . 42 ASP HB2 . 10094 1 414 . 1 1 42 42 ASP HB3 H 1 2.602 0.030 . 2 . . . . 42 ASP HB3 . 10094 1 415 . 1 1 42 42 ASP C C 13 177.057 0.300 . 1 . . . . 42 ASP C . 10094 1 416 . 1 1 42 42 ASP CA C 13 57.164 0.300 . 1 . . . . 42 ASP CA . 10094 1 417 . 1 1 42 42 ASP CB C 13 40.456 0.300 . 1 . . . . 42 ASP CB . 10094 1 418 . 1 1 42 42 ASP N N 15 122.785 0.300 . 1 . . . . 42 ASP N . 10094 1 419 . 1 1 43 43 ASN H H 1 7.276 0.030 . 1 . . . . 43 ASN H . 10094 1 420 . 1 1 43 43 ASN HA H 1 4.855 0.030 . 1 . . . . 43 ASN HA . 10094 1 421 . 1 1 43 43 ASN HB2 H 1 2.523 0.030 . 2 . . . . 43 ASN HB2 . 10094 1 422 . 1 1 43 43 ASN HB3 H 1 2.770 0.030 . 2 . . . . 43 ASN HB3 . 10094 1 423 . 1 1 43 43 ASN HD21 H 1 8.625 0.030 . 2 . . . . 43 ASN HD21 . 10094 1 424 . 1 1 43 43 ASN HD22 H 1 7.746 0.030 . 2 . . . . 43 ASN HD22 . 10094 1 425 . 1 1 43 43 ASN C C 13 173.015 0.300 . 1 . . . . 43 ASN C . 10094 1 426 . 1 1 43 43 ASN CA C 13 53.303 0.300 . 1 . . . . 43 ASN CA . 10094 1 427 . 1 1 43 43 ASN CB C 13 40.855 0.300 . 1 . . . . 43 ASN CB . 10094 1 428 . 1 1 43 43 ASN N N 15 112.779 0.300 . 1 . . . . 43 ASN N . 10094 1 429 . 1 1 43 43 ASN ND2 N 15 119.736 0.300 . 1 . . . . 43 ASN ND2 . 10094 1 430 . 1 1 44 44 ASN H H 1 7.924 0.030 . 1 . . . . 44 ASN H . 10094 1 431 . 1 1 44 44 ASN HA H 1 4.454 0.030 . 1 . . . . 44 ASN HA . 10094 1 432 . 1 1 44 44 ASN HB2 H 1 3.123 0.030 . 2 . . . . 44 ASN HB2 . 10094 1 433 . 1 1 44 44 ASN HB3 H 1 2.714 0.030 . 2 . . . . 44 ASN HB3 . 10094 1 434 . 1 1 44 44 ASN HD21 H 1 7.558 0.030 . 2 . . . . 44 ASN HD21 . 10094 1 435 . 1 1 44 44 ASN HD22 H 1 6.855 0.030 . 2 . . . . 44 ASN HD22 . 10094 1 436 . 1 1 44 44 ASN C C 13 173.933 0.300 . 1 . . . . 44 ASN C . 10094 1 437 . 1 1 44 44 ASN CA C 13 54.488 0.300 . 1 . . . . 44 ASN CA . 10094 1 438 . 1 1 44 44 ASN CB C 13 37.151 0.300 . 1 . . . . 44 ASN CB . 10094 1 439 . 1 1 44 44 ASN N N 15 117.460 0.300 . 1 . . . . 44 ASN N . 10094 1 440 . 1 1 44 44 ASN ND2 N 15 112.247 0.300 . 1 . . . . 44 ASN ND2 . 10094 1 441 . 1 1 45 45 LEU H H 1 8.514 0.030 . 1 . . . . 45 LEU H . 10094 1 442 . 1 1 45 45 LEU HA H 1 4.661 0.030 . 1 . . . . 45 LEU HA . 10094 1 443 . 1 1 45 45 LEU HB2 H 1 1.798 0.030 . 2 . . . . 45 LEU HB2 . 10094 1 444 . 1 1 45 45 LEU HB3 H 1 1.328 0.030 . 2 . . . . 45 LEU HB3 . 10094 1 445 . 1 1 45 45 LEU HG H 1 1.698 0.030 . 1 . . . . 45 LEU HG . 10094 1 446 . 1 1 45 45 LEU HD11 H 1 1.094 0.030 . 1 . . . . 45 LEU HD1 . 10094 1 447 . 1 1 45 45 LEU HD12 H 1 1.094 0.030 . 1 . . . . 45 LEU HD1 . 10094 1 448 . 1 1 45 45 LEU HD13 H 1 1.094 0.030 . 1 . . . . 45 LEU HD1 . 10094 1 449 . 1 1 45 45 LEU HD21 H 1 0.930 0.030 . 1 . . . . 45 LEU HD2 . 10094 1 450 . 1 1 45 45 LEU HD22 H 1 0.930 0.030 . 1 . . . . 45 LEU HD2 . 10094 1 451 . 1 1 45 45 LEU HD23 H 1 0.930 0.030 . 1 . . . . 45 LEU HD2 . 10094 1 452 . 1 1 45 45 LEU C C 13 176.521 0.300 . 1 . . . . 45 LEU C . 10094 1 453 . 1 1 45 45 LEU CA C 13 53.431 0.300 . 1 . . . . 45 LEU CA . 10094 1 454 . 1 1 45 45 LEU CB C 13 45.339 0.300 . 1 . . . . 45 LEU CB . 10094 1 455 . 1 1 45 45 LEU CG C 13 26.068 0.300 . 1 . . . . 45 LEU CG . 10094 1 456 . 1 1 45 45 LEU CD1 C 13 26.819 0.300 . 2 . . . . 45 LEU CD1 . 10094 1 457 . 1 1 45 45 LEU CD2 C 13 23.235 0.300 . 2 . . . . 45 LEU CD2 . 10094 1 458 . 1 1 45 45 LEU N N 15 118.542 0.300 . 1 . . . . 45 LEU N . 10094 1 459 . 1 1 46 46 GLY H H 1 8.455 0.030 . 1 . . . . 46 GLY H . 10094 1 460 . 1 1 46 46 GLY HA2 H 1 4.095 0.030 . 2 . . . . 46 GLY HA2 . 10094 1 461 . 1 1 46 46 GLY HA3 H 1 3.972 0.030 . 2 . . . . 46 GLY HA3 . 10094 1 462 . 1 1 46 46 GLY C C 13 174.087 0.300 . 1 . . . . 46 GLY C . 10094 1 463 . 1 1 46 46 GLY CA C 13 45.141 0.300 . 1 . . . . 46 GLY CA . 10094 1 464 . 1 1 46 46 GLY N N 15 108.995 0.300 . 1 . . . . 46 GLY N . 10094 1 465 . 1 1 47 47 GLN H H 1 8.565 0.030 . 1 . . . . 47 GLN H . 10094 1 466 . 1 1 47 47 GLN HA H 1 3.854 0.030 . 1 . . . . 47 GLN HA . 10094 1 467 . 1 1 47 47 GLN HB2 H 1 1.937 0.030 . 1 . . . . 47 GLN HB2 . 10094 1 468 . 1 1 47 47 GLN HB3 H 1 1.937 0.030 . 1 . . . . 47 GLN HB3 . 10094 1 469 . 1 1 47 47 GLN HG2 H 1 2.512 0.030 . 2 . . . . 47 GLN HG2 . 10094 1 470 . 1 1 47 47 GLN HG3 H 1 1.984 0.030 . 2 . . . . 47 GLN HG3 . 10094 1 471 . 1 1 47 47 GLN HE21 H 1 7.483 0.030 . 2 . . . . 47 GLN HE21 . 10094 1 472 . 1 1 47 47 GLN HE22 H 1 6.758 0.030 . 2 . . . . 47 GLN HE22 . 10094 1 473 . 1 1 47 47 GLN C C 13 178.300 0.300 . 1 . . . . 47 GLN C . 10094 1 474 . 1 1 47 47 GLN CA C 13 59.349 0.300 . 1 . . . . 47 GLN CA . 10094 1 475 . 1 1 47 47 GLN CB C 13 28.755 0.300 . 1 . . . . 47 GLN CB . 10094 1 476 . 1 1 47 47 GLN CG C 13 34.818 0.300 . 1 . . . . 47 GLN CG . 10094 1 477 . 1 1 47 47 GLN N N 15 120.390 0.300 . 1 . . . . 47 GLN N . 10094 1 478 . 1 1 47 47 GLN NE2 N 15 108.805 0.300 . 1 . . . . 47 GLN NE2 . 10094 1 479 . 1 1 48 48 ARG H H 1 8.692 0.030 . 1 . . . . 48 ARG H . 10094 1 480 . 1 1 48 48 ARG HA H 1 3.947 0.030 . 1 . . . . 48 ARG HA . 10094 1 481 . 1 1 48 48 ARG HB2 H 1 1.888 0.030 . 1 . . . . 48 ARG HB2 . 10094 1 482 . 1 1 48 48 ARG HB3 H 1 1.888 0.030 . 1 . . . . 48 ARG HB3 . 10094 1 483 . 1 1 48 48 ARG HG2 H 1 1.498 0.030 . 2 . . . . 48 ARG HG2 . 10094 1 484 . 1 1 48 48 ARG HG3 H 1 1.648 0.030 . 2 . . . . 48 ARG HG3 . 10094 1 485 . 1 1 48 48 ARG HD2 H 1 3.159 0.030 . 1 . . . . 48 ARG HD2 . 10094 1 486 . 1 1 48 48 ARG HD3 H 1 3.159 0.030 . 1 . . . . 48 ARG HD3 . 10094 1 487 . 1 1 48 48 ARG C C 13 178.111 0.300 . 1 . . . . 48 ARG C . 10094 1 488 . 1 1 48 48 ARG CA C 13 60.147 0.300 . 1 . . . . 48 ARG CA . 10094 1 489 . 1 1 48 48 ARG CB C 13 29.215 0.300 . 1 . . . . 48 ARG CB . 10094 1 490 . 1 1 48 48 ARG CG C 13 27.176 0.300 . 1 . . . . 48 ARG CG . 10094 1 491 . 1 1 48 48 ARG CD C 13 43.529 0.300 . 1 . . . . 48 ARG CD . 10094 1 492 . 1 1 48 48 ARG N N 15 120.753 0.300 . 1 . . . . 48 ARG N . 10094 1 493 . 1 1 49 49 LEU H H 1 7.821 0.030 . 1 . . . . 49 LEU H . 10094 1 494 . 1 1 49 49 LEU HA H 1 4.210 0.030 . 1 . . . . 49 LEU HA . 10094 1 495 . 1 1 49 49 LEU HB2 H 1 1.831 0.030 . 2 . . . . 49 LEU HB2 . 10094 1 496 . 1 1 49 49 LEU HB3 H 1 1.708 0.030 . 2 . . . . 49 LEU HB3 . 10094 1 497 . 1 1 49 49 LEU HG H 1 1.511 0.030 . 1 . . . . 49 LEU HG . 10094 1 498 . 1 1 49 49 LEU HD11 H 1 1.005 0.030 . 1 . . . . 49 LEU HD1 . 10094 1 499 . 1 1 49 49 LEU HD12 H 1 1.005 0.030 . 1 . . . . 49 LEU HD1 . 10094 1 500 . 1 1 49 49 LEU HD13 H 1 1.005 0.030 . 1 . . . . 49 LEU HD1 . 10094 1 501 . 1 1 49 49 LEU HD21 H 1 0.951 0.030 . 1 . . . . 49 LEU HD2 . 10094 1 502 . 1 1 49 49 LEU HD22 H 1 0.951 0.030 . 1 . . . . 49 LEU HD2 . 10094 1 503 . 1 1 49 49 LEU HD23 H 1 0.951 0.030 . 1 . . . . 49 LEU HD2 . 10094 1 504 . 1 1 49 49 LEU C C 13 179.139 0.300 . 1 . . . . 49 LEU C . 10094 1 505 . 1 1 49 49 LEU CA C 13 57.876 0.300 . 1 . . . . 49 LEU CA . 10094 1 506 . 1 1 49 49 LEU CB C 13 41.566 0.300 . 1 . . . . 49 LEU CB . 10094 1 507 . 1 1 49 49 LEU CG C 13 27.406 0.300 . 1 . . . . 49 LEU CG . 10094 1 508 . 1 1 49 49 LEU CD1 C 13 26.577 0.300 . 2 . . . . 49 LEU CD1 . 10094 1 509 . 1 1 49 49 LEU CD2 C 13 23.225 0.300 . 2 . . . . 49 LEU CD2 . 10094 1 510 . 1 1 49 49 LEU N N 15 121.198 0.300 . 1 . . . . 49 LEU N . 10094 1 511 . 1 1 50 50 PHE H H 1 7.901 0.030 . 1 . . . . 50 PHE H . 10094 1 512 . 1 1 50 50 PHE HA H 1 3.777 0.030 . 1 . . . . 50 PHE HA . 10094 1 513 . 1 1 50 50 PHE HB2 H 1 2.846 0.030 . 1 . . . . 50 PHE HB2 . 10094 1 514 . 1 1 50 50 PHE HB3 H 1 2.846 0.030 . 1 . . . . 50 PHE HB3 . 10094 1 515 . 1 1 50 50 PHE HD1 H 1 6.351 0.030 . 1 . . . . 50 PHE HD1 . 10094 1 516 . 1 1 50 50 PHE HD2 H 1 6.351 0.030 . 1 . . . . 50 PHE HD2 . 10094 1 517 . 1 1 50 50 PHE HE1 H 1 5.846 0.030 . 1 . . . . 50 PHE HE1 . 10094 1 518 . 1 1 50 50 PHE HE2 H 1 5.846 0.030 . 1 . . . . 50 PHE HE2 . 10094 1 519 . 1 1 50 50 PHE HZ H 1 6.460 0.030 . 1 . . . . 50 PHE HZ . 10094 1 520 . 1 1 50 50 PHE C C 13 176.876 0.300 . 1 . . . . 50 PHE C . 10094 1 521 . 1 1 50 50 PHE CA C 13 61.704 0.300 . 1 . . . . 50 PHE CA . 10094 1 522 . 1 1 50 50 PHE CB C 13 39.952 0.300 . 1 . . . . 50 PHE CB . 10094 1 523 . 1 1 50 50 PHE CD1 C 13 130.714 0.300 . 1 . . . . 50 PHE CD1 . 10094 1 524 . 1 1 50 50 PHE CD2 C 13 130.714 0.300 . 1 . . . . 50 PHE CD2 . 10094 1 525 . 1 1 50 50 PHE CE1 C 13 130.565 0.300 . 1 . . . . 50 PHE CE1 . 10094 1 526 . 1 1 50 50 PHE CE2 C 13 130.565 0.300 . 1 . . . . 50 PHE CE2 . 10094 1 527 . 1 1 50 50 PHE CZ C 13 128.181 0.300 . 1 . . . . 50 PHE CZ . 10094 1 528 . 1 1 50 50 PHE N N 15 118.910 0.300 . 1 . . . . 50 PHE N . 10094 1 529 . 1 1 51 51 GLY H H 1 8.966 0.030 . 1 . . . . 51 GLY H . 10094 1 530 . 1 1 51 51 GLY HA2 H 1 3.101 0.030 . 2 . . . . 51 GLY HA2 . 10094 1 531 . 1 1 51 51 GLY HA3 H 1 3.793 0.030 . 2 . . . . 51 GLY HA3 . 10094 1 532 . 1 1 51 51 GLY C C 13 175.575 0.300 . 1 . . . . 51 GLY C . 10094 1 533 . 1 1 51 51 GLY CA C 13 47.936 0.300 . 1 . . . . 51 GLY CA . 10094 1 534 . 1 1 51 51 GLY N N 15 106.702 0.300 . 1 . . . . 51 GLY N . 10094 1 535 . 1 1 52 52 GLU H H 1 8.405 0.030 . 1 . . . . 52 GLU H . 10094 1 536 . 1 1 52 52 GLU HA H 1 4.008 0.030 . 1 . . . . 52 GLU HA . 10094 1 537 . 1 1 52 52 GLU HB2 H 1 2.049 0.030 . 2 . . . . 52 GLU HB2 . 10094 1 538 . 1 1 52 52 GLU HB3 H 1 1.951 0.030 . 2 . . . . 52 GLU HB3 . 10094 1 539 . 1 1 52 52 GLU HG2 H 1 2.393 0.030 . 2 . . . . 52 GLU HG2 . 10094 1 540 . 1 1 52 52 GLU HG3 H 1 2.193 0.030 . 2 . . . . 52 GLU HG3 . 10094 1 541 . 1 1 52 52 GLU C C 13 178.839 0.300 . 1 . . . . 52 GLU C . 10094 1 542 . 1 1 52 52 GLU CA C 13 59.545 0.300 . 1 . . . . 52 GLU CA . 10094 1 543 . 1 1 52 52 GLU CB C 13 30.387 0.300 . 1 . . . . 52 GLU CB . 10094 1 544 . 1 1 52 52 GLU CG C 13 36.657 0.300 . 1 . . . . 52 GLU CG . 10094 1 545 . 1 1 52 52 GLU N N 15 120.721 0.300 . 1 . . . . 52 GLU N . 10094 1 546 . 1 1 53 53 SER H H 1 8.156 0.030 . 1 . . . . 53 SER H . 10094 1 547 . 1 1 53 53 SER HA H 1 4.232 0.030 . 1 . . . . 53 SER HA . 10094 1 548 . 1 1 53 53 SER HB2 H 1 3.809 0.030 . 2 . . . . 53 SER HB2 . 10094 1 549 . 1 1 53 53 SER HB3 H 1 3.755 0.030 . 2 . . . . 53 SER HB3 . 10094 1 550 . 1 1 53 53 SER C C 13 174.819 0.300 . 1 . . . . 53 SER C . 10094 1 551 . 1 1 53 53 SER CA C 13 61.526 0.300 . 1 . . . . 53 SER CA . 10094 1 552 . 1 1 53 53 SER CB C 13 64.060 0.300 . 1 . . . . 53 SER CB . 10094 1 553 . 1 1 53 53 SER N N 15 112.083 0.300 . 1 . . . . 53 SER N . 10094 1 554 . 1 1 54 54 ILE H H 1 7.834 0.030 . 1 . . . . 54 ILE H . 10094 1 555 . 1 1 54 54 ILE HA H 1 4.015 0.030 . 1 . . . . 54 ILE HA . 10094 1 556 . 1 1 54 54 ILE HB H 1 0.909 0.030 . 1 . . . . 54 ILE HB . 10094 1 557 . 1 1 54 54 ILE HG12 H 1 0.418 0.030 . 2 . . . . 54 ILE HG12 . 10094 1 558 . 1 1 54 54 ILE HG13 H 1 1.190 0.030 . 2 . . . . 54 ILE HG13 . 10094 1 559 . 1 1 54 54 ILE HG21 H 1 0.316 0.030 . 1 . . . . 54 ILE HG2 . 10094 1 560 . 1 1 54 54 ILE HG22 H 1 0.316 0.030 . 1 . . . . 54 ILE HG2 . 10094 1 561 . 1 1 54 54 ILE HG23 H 1 0.316 0.030 . 1 . . . . 54 ILE HG2 . 10094 1 562 . 1 1 54 54 ILE HD11 H 1 0.669 0.030 . 1 . . . . 54 ILE HD1 . 10094 1 563 . 1 1 54 54 ILE HD12 H 1 0.669 0.030 . 1 . . . . 54 ILE HD1 . 10094 1 564 . 1 1 54 54 ILE HD13 H 1 0.669 0.030 . 1 . . . . 54 ILE HD1 . 10094 1 565 . 1 1 54 54 ILE C C 13 177.273 0.300 . 1 . . . . 54 ILE C . 10094 1 566 . 1 1 54 54 ILE CA C 13 59.515 0.300 . 1 . . . . 54 ILE CA . 10094 1 567 . 1 1 54 54 ILE CB C 13 34.437 0.300 . 1 . . . . 54 ILE CB . 10094 1 568 . 1 1 54 54 ILE CG1 C 13 27.006 0.300 . 1 . . . . 54 ILE CG1 . 10094 1 569 . 1 1 54 54 ILE CG2 C 13 16.967 0.300 . 1 . . . . 54 ILE CG2 . 10094 1 570 . 1 1 54 54 ILE CD1 C 13 8.630 0.300 . 1 . . . . 54 ILE CD1 . 10094 1 571 . 1 1 54 54 ILE N N 15 117.090 0.300 . 1 . . . . 54 ILE N . 10094 1 572 . 1 1 55 55 LEU H H 1 6.385 0.030 . 1 . . . . 55 LEU H . 10094 1 573 . 1 1 55 55 LEU HA H 1 4.274 0.030 . 1 . . . . 55 LEU HA . 10094 1 574 . 1 1 55 55 LEU HB2 H 1 1.925 0.030 . 2 . . . . 55 LEU HB2 . 10094 1 575 . 1 1 55 55 LEU HB3 H 1 1.338 0.030 . 2 . . . . 55 LEU HB3 . 10094 1 576 . 1 1 55 55 LEU HG H 1 0.905 0.030 . 1 . . . . 55 LEU HG . 10094 1 577 . 1 1 55 55 LEU HD11 H 1 0.717 0.030 . 1 . . . . 55 LEU HD1 . 10094 1 578 . 1 1 55 55 LEU HD12 H 1 0.717 0.030 . 1 . . . . 55 LEU HD1 . 10094 1 579 . 1 1 55 55 LEU HD13 H 1 0.717 0.030 . 1 . . . . 55 LEU HD1 . 10094 1 580 . 1 1 55 55 LEU HD21 H 1 0.622 0.030 . 1 . . . . 55 LEU HD2 . 10094 1 581 . 1 1 55 55 LEU HD22 H 1 0.622 0.030 . 1 . . . . 55 LEU HD2 . 10094 1 582 . 1 1 55 55 LEU HD23 H 1 0.622 0.030 . 1 . . . . 55 LEU HD2 . 10094 1 583 . 1 1 55 55 LEU C C 13 176.979 0.300 . 1 . . . . 55 LEU C . 10094 1 584 . 1 1 55 55 LEU CA C 13 54.487 0.300 . 1 . . . . 55 LEU CA . 10094 1 585 . 1 1 55 55 LEU CB C 13 42.239 0.300 . 1 . . . . 55 LEU CB . 10094 1 586 . 1 1 55 55 LEU CG C 13 26.068 0.300 . 1 . . . . 55 LEU CG . 10094 1 587 . 1 1 55 55 LEU CD1 C 13 26.882 0.300 . 2 . . . . 55 LEU CD1 . 10094 1 588 . 1 1 55 55 LEU CD2 C 13 23.492 0.300 . 2 . . . . 55 LEU CD2 . 10094 1 589 . 1 1 55 55 LEU N N 15 113.526 0.300 . 1 . . . . 55 LEU N . 10094 1 590 . 1 1 56 56 GLY H H 1 7.286 0.030 . 1 . . . . 56 GLY H . 10094 1 591 . 1 1 56 56 GLY HA2 H 1 3.872 0.030 . 2 . . . . 56 GLY HA2 . 10094 1 592 . 1 1 56 56 GLY HA3 H 1 3.797 0.030 . 2 . . . . 56 GLY HA3 . 10094 1 593 . 1 1 56 56 GLY C C 13 174.156 0.300 . 1 . . . . 56 GLY C . 10094 1 594 . 1 1 56 56 GLY CA C 13 46.792 0.300 . 1 . . . . 56 GLY CA . 10094 1 595 . 1 1 56 56 GLY N N 15 108.832 0.300 . 1 . . . . 56 GLY N . 10094 1 596 . 1 1 57 57 LEU H H 1 7.505 0.030 . 1 . . . . 57 LEU H . 10094 1 597 . 1 1 57 57 LEU HA H 1 4.684 0.030 . 1 . . . . 57 LEU HA . 10094 1 598 . 1 1 57 57 LEU HB2 H 1 1.473 0.030 . 2 . . . . 57 LEU HB2 . 10094 1 599 . 1 1 57 57 LEU HB3 H 1 1.155 0.030 . 2 . . . . 57 LEU HB3 . 10094 1 600 . 1 1 57 57 LEU HG H 1 1.420 0.030 . 1 . . . . 57 LEU HG . 10094 1 601 . 1 1 57 57 LEU HD11 H 1 0.656 0.030 . 1 . . . . 57 LEU HD1 . 10094 1 602 . 1 1 57 57 LEU HD12 H 1 0.656 0.030 . 1 . . . . 57 LEU HD1 . 10094 1 603 . 1 1 57 57 LEU HD13 H 1 0.656 0.030 . 1 . . . . 57 LEU HD1 . 10094 1 604 . 1 1 57 57 LEU HD21 H 1 0.808 0.030 . 1 . . . . 57 LEU HD2 . 10094 1 605 . 1 1 57 57 LEU HD22 H 1 0.808 0.030 . 1 . . . . 57 LEU HD2 . 10094 1 606 . 1 1 57 57 LEU HD23 H 1 0.808 0.030 . 1 . . . . 57 LEU HD2 . 10094 1 607 . 1 1 57 57 LEU C C 13 176.703 0.300 . 1 . . . . 57 LEU C . 10094 1 608 . 1 1 57 57 LEU CA C 13 53.237 0.300 . 1 . . . . 57 LEU CA . 10094 1 609 . 1 1 57 57 LEU CB C 13 45.675 0.300 . 1 . . . . 57 LEU CB . 10094 1 610 . 1 1 57 57 LEU CG C 13 25.808 0.300 . 1 . . . . 57 LEU CG . 10094 1 611 . 1 1 57 57 LEU CD1 C 13 26.052 0.300 . 2 . . . . 57 LEU CD1 . 10094 1 612 . 1 1 57 57 LEU CD2 C 13 22.374 0.300 . 2 . . . . 57 LEU CD2 . 10094 1 613 . 1 1 57 57 LEU N N 15 119.059 0.300 . 1 . . . . 57 LEU N . 10094 1 614 . 1 1 58 58 THR H H 1 7.973 0.030 . 1 . . . . 58 THR H . 10094 1 615 . 1 1 58 58 THR HA H 1 4.352 0.030 . 1 . . . . 58 THR HA . 10094 1 616 . 1 1 58 58 THR HB H 1 4.550 0.030 . 1 . . . . 58 THR HB . 10094 1 617 . 1 1 58 58 THR HG21 H 1 1.289 0.030 . 1 . . . . 58 THR HG2 . 10094 1 618 . 1 1 58 58 THR HG22 H 1 1.289 0.030 . 1 . . . . 58 THR HG2 . 10094 1 619 . 1 1 58 58 THR HG23 H 1 1.289 0.030 . 1 . . . . 58 THR HG2 . 10094 1 620 . 1 1 58 58 THR C C 13 175.758 0.300 . 1 . . . . 58 THR C . 10094 1 621 . 1 1 58 58 THR CA C 13 61.035 0.300 . 1 . . . . 58 THR CA . 10094 1 622 . 1 1 58 58 THR CB C 13 70.779 0.300 . 1 . . . . 58 THR CB . 10094 1 623 . 1 1 58 58 THR CG2 C 13 21.969 0.300 . 1 . . . . 58 THR CG2 . 10094 1 624 . 1 1 58 58 THR N N 15 110.118 0.300 . 1 . . . . 58 THR N . 10094 1 625 . 1 1 59 59 GLN H H 1 8.841 0.030 . 1 . . . . 59 GLN H . 10094 1 626 . 1 1 59 59 GLN HA H 1 4.023 0.030 . 1 . . . . 59 GLN HA . 10094 1 627 . 1 1 59 59 GLN HB2 H 1 2.050 0.030 . 1 . . . . 59 GLN HB2 . 10094 1 628 . 1 1 59 59 GLN HB3 H 1 2.050 0.030 . 1 . . . . 59 GLN HB3 . 10094 1 629 . 1 1 59 59 GLN HG2 H 1 2.363 0.030 . 2 . . . . 59 GLN HG2 . 10094 1 630 . 1 1 59 59 GLN HG3 H 1 2.299 0.030 . 2 . . . . 59 GLN HG3 . 10094 1 631 . 1 1 59 59 GLN HE21 H 1 7.567 0.030 . 2 . . . . 59 GLN HE21 . 10094 1 632 . 1 1 59 59 GLN HE22 H 1 6.843 0.030 . 2 . . . . 59 GLN HE22 . 10094 1 633 . 1 1 59 59 GLN C C 13 175.758 0.300 . 1 . . . . 59 GLN C . 10094 1 634 . 1 1 59 59 GLN CA C 13 58.737 0.300 . 1 . . . . 59 GLN CA . 10094 1 635 . 1 1 59 59 GLN CB C 13 28.700 0.300 . 1 . . . . 59 GLN CB . 10094 1 636 . 1 1 59 59 GLN CG C 13 33.586 0.300 . 1 . . . . 59 GLN CG . 10094 1 637 . 1 1 59 59 GLN N N 15 120.563 0.300 . 1 . . . . 59 GLN N . 10094 1 638 . 1 1 59 59 GLN NE2 N 15 111.613 0.300 . 1 . . . . 59 GLN NE2 . 10094 1 639 . 1 1 60 60 GLY H H 1 8.774 0.030 . 1 . . . . 60 GLY H . 10094 1 640 . 1 1 60 60 GLY HA2 H 1 3.924 0.030 . 2 . . . . 60 GLY HA2 . 10094 1 641 . 1 1 60 60 GLY HA3 H 1 3.823 0.030 . 2 . . . . 60 GLY HA3 . 10094 1 642 . 1 1 60 60 GLY C C 13 175.903 0.300 . 1 . . . . 60 GLY C . 10094 1 643 . 1 1 60 60 GLY CA C 13 46.519 0.300 . 1 . . . . 60 GLY CA . 10094 1 644 . 1 1 61 61 SER H H 1 7.628 0.030 . 1 . . . . 61 SER H . 10094 1 645 . 1 1 61 61 SER HA H 1 4.426 0.030 . 1 . . . . 61 SER HA . 10094 1 646 . 1 1 61 61 SER HB2 H 1 3.933 0.030 . 2 . . . . 61 SER HB2 . 10094 1 647 . 1 1 61 61 SER HB3 H 1 3.855 0.030 . 2 . . . . 61 SER HB3 . 10094 1 648 . 1 1 61 61 SER C C 13 176.775 0.300 . 1 . . . . 61 SER C . 10094 1 649 . 1 1 61 61 SER CA C 13 60.704 0.300 . 1 . . . . 61 SER CA . 10094 1 650 . 1 1 61 61 SER CB C 13 63.504 0.300 . 1 . . . . 61 SER CB . 10094 1 651 . 1 1 61 61 SER N N 15 116.718 0.300 . 1 . . . . 61 SER N . 10094 1 652 . 1 1 62 62 VAL H H 1 8.450 0.030 . 1 . . . . 62 VAL H . 10094 1 653 . 1 1 62 62 VAL HA H 1 3.650 0.030 . 1 . . . . 62 VAL HA . 10094 1 654 . 1 1 62 62 VAL HB H 1 2.026 0.030 . 1 . . . . 62 VAL HB . 10094 1 655 . 1 1 62 62 VAL HG11 H 1 0.973 0.030 . 1 . . . . 62 VAL HG1 . 10094 1 656 . 1 1 62 62 VAL HG12 H 1 0.973 0.030 . 1 . . . . 62 VAL HG1 . 10094 1 657 . 1 1 62 62 VAL HG13 H 1 0.973 0.030 . 1 . . . . 62 VAL HG1 . 10094 1 658 . 1 1 62 62 VAL HG21 H 1 0.943 0.030 . 1 . . . . 62 VAL HG2 . 10094 1 659 . 1 1 62 62 VAL HG22 H 1 0.943 0.030 . 1 . . . . 62 VAL HG2 . 10094 1 660 . 1 1 62 62 VAL HG23 H 1 0.943 0.030 . 1 . . . . 62 VAL HG2 . 10094 1 661 . 1 1 62 62 VAL C C 13 176.141 0.300 . 1 . . . . 62 VAL C . 10094 1 662 . 1 1 62 62 VAL CA C 13 65.670 0.300 . 1 . . . . 62 VAL CA . 10094 1 663 . 1 1 62 62 VAL CB C 13 31.159 0.300 . 1 . . . . 62 VAL CB . 10094 1 664 . 1 1 62 62 VAL CG1 C 13 20.798 0.300 . 2 . . . . 62 VAL CG1 . 10094 1 665 . 1 1 62 62 VAL CG2 C 13 23.939 0.300 . 2 . . . . 62 VAL CG2 . 10094 1 666 . 1 1 62 62 VAL N N 15 122.855 0.300 . 1 . . . . 62 VAL N . 10094 1 667 . 1 1 63 63 SER H H 1 8.152 0.030 . 1 . . . . 63 SER H . 10094 1 668 . 1 1 63 63 SER HA H 1 4.138 0.030 . 1 . . . . 63 SER HA . 10094 1 669 . 1 1 63 63 SER HB2 H 1 3.969 0.030 . 1 . . . . 63 SER HB2 . 10094 1 670 . 1 1 63 63 SER HB3 H 1 3.969 0.030 . 1 . . . . 63 SER HB3 . 10094 1 671 . 1 1 63 63 SER C C 13 177.502 0.300 . 1 . . . . 63 SER C . 10094 1 672 . 1 1 63 63 SER CA C 13 61.537 0.300 . 1 . . . . 63 SER CA . 10094 1 673 . 1 1 63 63 SER CB C 13 62.736 0.300 . 1 . . . . 63 SER CB . 10094 1 674 . 1 1 63 63 SER N N 15 115.838 0.300 . 1 . . . . 63 SER N . 10094 1 675 . 1 1 64 64 ASP H H 1 7.571 0.030 . 1 . . . . 64 ASP H . 10094 1 676 . 1 1 64 64 ASP HA H 1 4.372 0.030 . 1 . . . . 64 ASP HA . 10094 1 677 . 1 1 64 64 ASP HB2 H 1 2.725 0.030 . 1 . . . . 64 ASP HB2 . 10094 1 678 . 1 1 64 64 ASP HB3 H 1 2.725 0.030 . 1 . . . . 64 ASP HB3 . 10094 1 679 . 1 1 64 64 ASP C C 13 177.419 0.300 . 1 . . . . 64 ASP C . 10094 1 680 . 1 1 64 64 ASP CA C 13 57.776 0.300 . 1 . . . . 64 ASP CA . 10094 1 681 . 1 1 64 64 ASP CB C 13 41.537 0.300 . 1 . . . . 64 ASP CB . 10094 1 682 . 1 1 64 64 ASP N N 15 121.374 0.300 . 1 . . . . 64 ASP N . 10094 1 683 . 1 1 65 65 LEU H H 1 7.536 0.030 . 1 . . . . 65 LEU H . 10094 1 684 . 1 1 65 65 LEU HA H 1 4.110 0.030 . 1 . . . . 65 LEU HA . 10094 1 685 . 1 1 65 65 LEU HB2 H 1 1.724 0.030 . 2 . . . . 65 LEU HB2 . 10094 1 686 . 1 1 65 65 LEU HB3 H 1 1.350 0.030 . 2 . . . . 65 LEU HB3 . 10094 1 687 . 1 1 65 65 LEU HG H 1 1.694 0.030 . 1 . . . . 65 LEU HG . 10094 1 688 . 1 1 65 65 LEU HD11 H 1 0.717 0.030 . 1 . . . . 65 LEU HD1 . 10094 1 689 . 1 1 65 65 LEU HD12 H 1 0.717 0.030 . 1 . . . . 65 LEU HD1 . 10094 1 690 . 1 1 65 65 LEU HD13 H 1 0.717 0.030 . 1 . . . . 65 LEU HD1 . 10094 1 691 . 1 1 65 65 LEU HD21 H 1 0.598 0.030 . 1 . . . . 65 LEU HD2 . 10094 1 692 . 1 1 65 65 LEU HD22 H 1 0.598 0.030 . 1 . . . . 65 LEU HD2 . 10094 1 693 . 1 1 65 65 LEU HD23 H 1 0.598 0.030 . 1 . . . . 65 LEU HD2 . 10094 1 694 . 1 1 65 65 LEU C C 13 176.886 0.300 . 1 . . . . 65 LEU C . 10094 1 695 . 1 1 65 65 LEU CA C 13 58.092 0.300 . 1 . . . . 65 LEU CA . 10094 1 696 . 1 1 65 65 LEU CB C 13 42.744 0.300 . 1 . . . . 65 LEU CB . 10094 1 697 . 1 1 65 65 LEU CG C 13 26.588 0.300 . 1 . . . . 65 LEU CG . 10094 1 698 . 1 1 65 65 LEU CD1 C 13 24.864 0.300 . 2 . . . . 65 LEU CD1 . 10094 1 699 . 1 1 65 65 LEU CD2 C 13 26.100 0.300 . 2 . . . . 65 LEU CD2 . 10094 1 700 . 1 1 65 65 LEU N N 15 119.395 0.300 . 1 . . . . 65 LEU N . 10094 1 701 . 1 1 66 66 LEU H H 1 7.767 0.030 . 1 . . . . 66 LEU H . 10094 1 702 . 1 1 66 66 LEU HA H 1 4.182 0.030 . 1 . . . . 66 LEU HA . 10094 1 703 . 1 1 66 66 LEU HB2 H 1 1.817 0.030 . 2 . . . . 66 LEU HB2 . 10094 1 704 . 1 1 66 66 LEU HB3 H 1 1.268 0.030 . 2 . . . . 66 LEU HB3 . 10094 1 705 . 1 1 66 66 LEU HG H 1 1.843 0.030 . 1 . . . . 66 LEU HG . 10094 1 706 . 1 1 66 66 LEU HD11 H 1 0.630 0.030 . 1 . . . . 66 LEU HD1 . 10094 1 707 . 1 1 66 66 LEU HD12 H 1 0.630 0.030 . 1 . . . . 66 LEU HD1 . 10094 1 708 . 1 1 66 66 LEU HD13 H 1 0.630 0.030 . 1 . . . . 66 LEU HD1 . 10094 1 709 . 1 1 66 66 LEU HD21 H 1 0.736 0.030 . 1 . . . . 66 LEU HD2 . 10094 1 710 . 1 1 66 66 LEU HD22 H 1 0.736 0.030 . 1 . . . . 66 LEU HD2 . 10094 1 711 . 1 1 66 66 LEU HD23 H 1 0.736 0.030 . 1 . . . . 66 LEU HD2 . 10094 1 712 . 1 1 66 66 LEU C C 13 178.404 0.300 . 1 . . . . 66 LEU C . 10094 1 713 . 1 1 66 66 LEU CA C 13 55.954 0.300 . 1 . . . . 66 LEU CA . 10094 1 714 . 1 1 66 66 LEU CB C 13 41.931 0.300 . 1 . . . . 66 LEU CB . 10094 1 715 . 1 1 66 66 LEU CG C 13 26.978 0.300 . 1 . . . . 66 LEU CG . 10094 1 716 . 1 1 66 66 LEU CD1 C 13 25.241 0.300 . 2 . . . . 66 LEU CD1 . 10094 1 717 . 1 1 66 66 LEU CD2 C 13 22.940 0.300 . 2 . . . . 66 LEU CD2 . 10094 1 718 . 1 1 66 66 LEU N N 15 109.251 0.300 . 1 . . . . 66 LEU N . 10094 1 719 . 1 1 67 67 SER H H 1 7.918 0.030 . 1 . . . . 67 SER H . 10094 1 720 . 1 1 67 67 SER HA H 1 4.561 0.030 . 1 . . . . 67 SER HA . 10094 1 721 . 1 1 67 67 SER HB2 H 1 3.963 0.030 . 1 . . . . 67 SER HB2 . 10094 1 722 . 1 1 67 67 SER HB3 H 1 3.963 0.030 . 1 . . . . 67 SER HB3 . 10094 1 723 . 1 1 67 67 SER C C 13 174.942 0.300 . 1 . . . . 67 SER C . 10094 1 724 . 1 1 67 67 SER CA C 13 59.907 0.300 . 1 . . . . 67 SER CA . 10094 1 725 . 1 1 67 67 SER CB C 13 64.365 0.300 . 1 . . . . 67 SER CB . 10094 1 726 . 1 1 67 67 SER N N 15 111.899 0.300 . 1 . . . . 67 SER N . 10094 1 727 . 1 1 68 68 ARG H H 1 8.073 0.030 . 1 . . . . 68 ARG H . 10094 1 728 . 1 1 68 68 ARG HA H 1 4.839 0.030 . 1 . . . . 68 ARG HA . 10094 1 729 . 1 1 68 68 ARG HB2 H 1 1.782 0.030 . 2 . . . . 68 ARG HB2 . 10094 1 730 . 1 1 68 68 ARG HB3 H 1 1.875 0.030 . 2 . . . . 68 ARG HB3 . 10094 1 731 . 1 1 68 68 ARG HG2 H 1 1.595 0.030 . 1 . . . . 68 ARG HG2 . 10094 1 732 . 1 1 68 68 ARG HG3 H 1 1.595 0.030 . 1 . . . . 68 ARG HG3 . 10094 1 733 . 1 1 68 68 ARG HD2 H 1 3.216 0.030 . 2 . . . . 68 ARG HD2 . 10094 1 734 . 1 1 68 68 ARG HD3 H 1 3.289 0.030 . 2 . . . . 68 ARG HD3 . 10094 1 735 . 1 1 68 68 ARG C C 13 174.942 0.300 . 1 . . . . 68 ARG C . 10094 1 736 . 1 1 68 68 ARG CA C 13 53.828 0.300 . 1 . . . . 68 ARG CA . 10094 1 737 . 1 1 68 68 ARG CB C 13 30.532 0.300 . 1 . . . . 68 ARG CB . 10094 1 738 . 1 1 68 68 ARG CG C 13 26.788 0.300 . 1 . . . . 68 ARG CG . 10094 1 739 . 1 1 68 68 ARG CD C 13 43.750 0.300 . 1 . . . . 68 ARG CD . 10094 1 740 . 1 1 68 68 ARG N N 15 121.120 0.300 . 1 . . . . 68 ARG N . 10094 1 741 . 1 1 69 69 PRO HA H 1 4.709 0.030 . 1 . . . . 69 PRO HA . 10094 1 742 . 1 1 69 69 PRO HB2 H 1 2.680 0.030 . 2 . . . . 69 PRO HB2 . 10094 1 743 . 1 1 69 69 PRO HB3 H 1 1.657 0.030 . 2 . . . . 69 PRO HB3 . 10094 1 744 . 1 1 69 69 PRO HG2 H 1 2.168 0.030 . 2 . . . . 69 PRO HG2 . 10094 1 745 . 1 1 69 69 PRO HG3 H 1 1.956 0.030 . 2 . . . . 69 PRO HG3 . 10094 1 746 . 1 1 69 69 PRO HD2 H 1 3.519 0.030 . 2 . . . . 69 PRO HD2 . 10094 1 747 . 1 1 69 69 PRO HD3 H 1 3.413 0.030 . 2 . . . . 69 PRO HD3 . 10094 1 748 . 1 1 69 69 PRO C C 13 177.510 0.300 . 1 . . . . 69 PRO C . 10094 1 749 . 1 1 69 69 PRO CA C 13 63.496 0.300 . 1 . . . . 69 PRO CA . 10094 1 750 . 1 1 69 69 PRO CB C 13 31.518 0.300 . 1 . . . . 69 PRO CB . 10094 1 751 . 1 1 69 69 PRO CG C 13 27.059 0.300 . 1 . . . . 69 PRO CG . 10094 1 752 . 1 1 69 69 PRO CD C 13 50.133 0.300 . 1 . . . . 69 PRO CD . 10094 1 753 . 1 1 70 70 LYS H H 1 8.161 0.030 . 1 . . . . 70 LYS H . 10094 1 754 . 1 1 70 70 LYS HA H 1 4.554 0.030 . 1 . . . . 70 LYS HA . 10094 1 755 . 1 1 70 70 LYS HB2 H 1 1.597 0.030 . 1 . . . . 70 LYS HB2 . 10094 1 756 . 1 1 70 70 LYS HB3 H 1 1.597 0.030 . 1 . . . . 70 LYS HB3 . 10094 1 757 . 1 1 70 70 LYS HG2 H 1 1.523 0.030 . 2 . . . . 70 LYS HG2 . 10094 1 758 . 1 1 70 70 LYS HG3 H 1 1.700 0.030 . 2 . . . . 70 LYS HG3 . 10094 1 759 . 1 1 70 70 LYS HE2 H 1 3.042 0.030 . 2 . . . . 70 LYS HE2 . 10094 1 760 . 1 1 70 70 LYS C C 13 177.510 0.300 . 1 . . . . 70 LYS C . 10094 1 761 . 1 1 70 70 LYS CA C 13 54.270 0.300 . 1 . . . . 70 LYS CA . 10094 1 762 . 1 1 70 70 LYS CB C 13 32.469 0.300 . 1 . . . . 70 LYS CB . 10094 1 763 . 1 1 70 70 LYS CG C 13 25.866 0.300 . 1 . . . . 70 LYS CG . 10094 1 764 . 1 1 70 70 LYS CE C 13 42.322 0.300 . 1 . . . . 70 LYS CE . 10094 1 765 . 1 1 70 70 LYS N N 15 123.129 0.300 . 1 . . . . 70 LYS N . 10094 1 766 . 1 1 71 71 PRO HA H 1 4.443 0.030 . 1 . . . . 71 PRO HA . 10094 1 767 . 1 1 71 71 PRO HB2 H 1 2.473 0.030 . 2 . . . . 71 PRO HB2 . 10094 1 768 . 1 1 71 71 PRO HB3 H 1 1.782 0.030 . 2 . . . . 71 PRO HB3 . 10094 1 769 . 1 1 71 71 PRO HG2 H 1 2.109 0.030 . 2 . . . . 71 PRO HG2 . 10094 1 770 . 1 1 71 71 PRO HG3 H 1 1.793 0.030 . 2 . . . . 71 PRO HG3 . 10094 1 771 . 1 1 71 71 PRO HD2 H 1 3.376 0.030 . 2 . . . . 71 PRO HD2 . 10094 1 772 . 1 1 71 71 PRO HD3 H 1 3.871 0.030 . 2 . . . . 71 PRO HD3 . 10094 1 773 . 1 1 71 71 PRO C C 13 177.054 0.300 . 1 . . . . 71 PRO C . 10094 1 774 . 1 1 71 71 PRO CA C 13 62.364 0.300 . 1 . . . . 71 PRO CA . 10094 1 775 . 1 1 71 71 PRO CB C 13 32.551 0.300 . 1 . . . . 71 PRO CB . 10094 1 776 . 1 1 71 71 PRO CG C 13 27.681 0.300 . 1 . . . . 71 PRO CG . 10094 1 777 . 1 1 71 71 PRO CD C 13 50.318 0.300 . 1 . . . . 71 PRO CD . 10094 1 778 . 1 1 72 72 TRP H H 1 9.222 0.030 . 1 . . . . 72 TRP H . 10094 1 779 . 1 1 72 72 TRP HA H 1 4.014 0.030 . 1 . . . . 72 TRP HA . 10094 1 780 . 1 1 72 72 TRP HB2 H 1 3.882 0.030 . 2 . . . . 72 TRP HB2 . 10094 1 781 . 1 1 72 72 TRP HB3 H 1 3.294 0.030 . 2 . . . . 72 TRP HB3 . 10094 1 782 . 1 1 72 72 TRP HD1 H 1 6.937 0.030 . 1 . . . . 72 TRP HD1 . 10094 1 783 . 1 1 72 72 TRP HE1 H 1 10.633 0.030 . 1 . . . . 72 TRP HE1 . 10094 1 784 . 1 1 72 72 TRP HE3 H 1 7.221 0.030 . 1 . . . . 72 TRP HE3 . 10094 1 785 . 1 1 72 72 TRP HZ2 H 1 7.481 0.030 . 1 . . . . 72 TRP HZ2 . 10094 1 786 . 1 1 72 72 TRP HH2 H 1 7.097 0.030 . 1 . . . . 72 TRP HH2 . 10094 1 787 . 1 1 72 72 TRP C C 13 178.633 0.300 . 1 . . . . 72 TRP C . 10094 1 788 . 1 1 72 72 TRP CA C 13 60.974 0.300 . 1 . . . . 72 TRP CA . 10094 1 789 . 1 1 72 72 TRP CB C 13 30.900 0.300 . 1 . . . . 72 TRP CB . 10094 1 790 . 1 1 72 72 TRP CD1 C 13 127.496 0.300 . 1 . . . . 72 TRP CD1 . 10094 1 791 . 1 1 72 72 TRP CE3 C 13 119.751 0.300 . 1 . . . . 72 TRP CE3 . 10094 1 792 . 1 1 72 72 TRP CZ2 C 13 116.415 0.300 . 1 . . . . 72 TRP CZ2 . 10094 1 793 . 1 1 72 72 TRP CZ3 C 13 121.628 0.300 . 1 . . . . 72 TRP CZ3 . 10094 1 794 . 1 1 72 72 TRP CH2 C 13 124.130 0.300 . 1 . . . . 72 TRP CH2 . 10094 1 795 . 1 1 72 72 TRP N N 15 122.913 0.300 . 1 . . . . 72 TRP N . 10094 1 796 . 1 1 72 72 TRP NE1 N 15 131.542 0.300 . 1 . . . . 72 TRP NE1 . 10094 1 797 . 1 1 73 73 HIS H H 1 8.546 0.030 . 1 . . . . 73 HIS H . 10094 1 798 . 1 1 73 73 HIS HA H 1 4.344 0.030 . 1 . . . . 73 HIS HA . 10094 1 799 . 1 1 73 73 HIS HB2 H 1 3.279 0.030 . 1 . . . . 73 HIS HB2 . 10094 1 800 . 1 1 73 73 HIS HB3 H 1 3.279 0.030 . 1 . . . . 73 HIS HB3 . 10094 1 801 . 1 1 73 73 HIS HD2 H 1 7.127 0.030 . 1 . . . . 73 HIS HD2 . 10094 1 802 . 1 1 73 73 HIS HE1 H 1 7.858 0.030 . 1 . . . . 73 HIS HE1 . 10094 1 803 . 1 1 73 73 HIS C C 13 176.082 0.300 . 1 . . . . 73 HIS C . 10094 1 804 . 1 1 73 73 HIS CA C 13 58.637 0.300 . 1 . . . . 73 HIS CA . 10094 1 805 . 1 1 73 73 HIS CB C 13 29.667 0.300 . 1 . . . . 73 HIS CB . 10094 1 806 . 1 1 73 73 HIS CD2 C 13 119.692 0.300 . 1 . . . . 73 HIS CD2 . 10094 1 807 . 1 1 73 73 HIS CE1 C 13 139.130 0.300 . 1 . . . . 73 HIS CE1 . 10094 1 808 . 1 1 73 73 HIS N N 15 111.644 0.300 . 1 . . . . 73 HIS N . 10094 1 809 . 1 1 74 74 LYS H H 1 7.610 0.030 . 1 . . . . 74 LYS H . 10094 1 810 . 1 1 74 74 LYS HA H 1 4.322 0.030 . 1 . . . . 74 LYS HA . 10094 1 811 . 1 1 74 74 LYS HB2 H 1 1.982 0.030 . 2 . . . . 74 LYS HB2 . 10094 1 812 . 1 1 74 74 LYS HB3 H 1 1.540 0.030 . 2 . . . . 74 LYS HB3 . 10094 1 813 . 1 1 74 74 LYS HG2 H 1 1.017 0.030 . 2 . . . . 74 LYS HG2 . 10094 1 814 . 1 1 74 74 LYS HG3 H 1 1.125 0.030 . 2 . . . . 74 LYS HG3 . 10094 1 815 . 1 1 74 74 LYS HD2 H 1 1.651 0.030 . 2 . . . . 74 LYS HD2 . 10094 1 816 . 1 1 74 74 LYS HD3 H 1 1.549 0.030 . 2 . . . . 74 LYS HD3 . 10094 1 817 . 1 1 74 74 LYS HE2 H 1 2.996 0.030 . 1 . . . . 74 LYS HE2 . 10094 1 818 . 1 1 74 74 LYS HE3 H 1 2.996 0.030 . 1 . . . . 74 LYS HE3 . 10094 1 819 . 1 1 74 74 LYS C C 13 175.918 0.300 . 1 . . . . 74 LYS C . 10094 1 820 . 1 1 74 74 LYS CA C 13 55.025 0.300 . 1 . . . . 74 LYS CA . 10094 1 821 . 1 1 74 74 LYS CB C 13 32.672 0.300 . 1 . . . . 74 LYS CB . 10094 1 822 . 1 1 74 74 LYS CG C 13 24.700 0.300 . 1 . . . . 74 LYS CG . 10094 1 823 . 1 1 74 74 LYS CD C 13 28.507 0.300 . 1 . . . . 74 LYS CD . 10094 1 824 . 1 1 74 74 LYS CE C 13 42.020 0.300 . 1 . . . . 74 LYS CE . 10094 1 825 . 1 1 74 74 LYS N N 15 118.258 0.300 . 1 . . . . 74 LYS N . 10094 1 826 . 1 1 75 75 LEU H H 1 7.164 0.030 . 1 . . . . 75 LEU H . 10094 1 827 . 1 1 75 75 LEU HA H 1 4.467 0.030 . 1 . . . . 75 LEU HA . 10094 1 828 . 1 1 75 75 LEU HB2 H 1 1.120 0.030 . 2 . . . . 75 LEU HB2 . 10094 1 829 . 1 1 75 75 LEU HB3 H 1 1.543 0.030 . 2 . . . . 75 LEU HB3 . 10094 1 830 . 1 1 75 75 LEU HG H 1 1.518 0.030 . 1 . . . . 75 LEU HG . 10094 1 831 . 1 1 75 75 LEU HD11 H 1 0.671 0.030 . 1 . . . . 75 LEU HD1 . 10094 1 832 . 1 1 75 75 LEU HD12 H 1 0.671 0.030 . 1 . . . . 75 LEU HD1 . 10094 1 833 . 1 1 75 75 LEU HD13 H 1 0.671 0.030 . 1 . . . . 75 LEU HD1 . 10094 1 834 . 1 1 75 75 LEU HD21 H 1 0.858 0.030 . 1 . . . . 75 LEU HD2 . 10094 1 835 . 1 1 75 75 LEU HD22 H 1 0.858 0.030 . 1 . . . . 75 LEU HD2 . 10094 1 836 . 1 1 75 75 LEU HD23 H 1 0.858 0.030 . 1 . . . . 75 LEU HD2 . 10094 1 837 . 1 1 75 75 LEU C C 13 177.333 0.300 . 1 . . . . 75 LEU C . 10094 1 838 . 1 1 75 75 LEU CA C 13 53.729 0.300 . 1 . . . . 75 LEU CA . 10094 1 839 . 1 1 75 75 LEU CB C 13 45.886 0.300 . 1 . . . . 75 LEU CB . 10094 1 840 . 1 1 75 75 LEU CG C 13 25.678 0.300 . 1 . . . . 75 LEU CG . 10094 1 841 . 1 1 75 75 LEU CD1 C 13 27.498 0.300 . 2 . . . . 75 LEU CD1 . 10094 1 842 . 1 1 75 75 LEU CD2 C 13 24.152 0.300 . 2 . . . . 75 LEU CD2 . 10094 1 843 . 1 1 75 75 LEU N N 15 120.852 0.300 . 1 . . . . 75 LEU N . 10094 1 844 . 1 1 76 76 SER H H 1 8.374 0.030 . 1 . . . . 76 SER H . 10094 1 845 . 1 1 76 76 SER HA H 1 4.368 0.030 . 1 . . . . 76 SER HA . 10094 1 846 . 1 1 76 76 SER HB2 H 1 4.352 0.030 . 2 . . . . 76 SER HB2 . 10094 1 847 . 1 1 76 76 SER HB3 H 1 4.017 0.030 . 2 . . . . 76 SER HB3 . 10094 1 848 . 1 1 76 76 SER C C 13 174.237 0.300 . 1 . . . . 76 SER C . 10094 1 849 . 1 1 76 76 SER CA C 13 56.542 0.300 . 1 . . . . 76 SER CA . 10094 1 850 . 1 1 76 76 SER CB C 13 65.225 0.300 . 1 . . . . 76 SER CB . 10094 1 851 . 1 1 76 76 SER N N 15 117.653 0.300 . 1 . . . . 76 SER N . 10094 1 852 . 1 1 77 77 LEU H H 1 8.508 0.030 . 1 . . . . 77 LEU H . 10094 1 853 . 1 1 77 77 LEU HA H 1 3.735 0.030 . 1 . . . . 77 LEU HA . 10094 1 854 . 1 1 77 77 LEU HB2 H 1 1.786 0.030 . 2 . . . . 77 LEU HB2 . 10094 1 855 . 1 1 77 77 LEU HB3 H 1 1.578 0.030 . 2 . . . . 77 LEU HB3 . 10094 1 856 . 1 1 77 77 LEU HG H 1 1.728 0.030 . 1 . . . . 77 LEU HG . 10094 1 857 . 1 1 77 77 LEU HD11 H 1 0.951 0.030 . 1 . . . . 77 LEU HD1 . 10094 1 858 . 1 1 77 77 LEU HD12 H 1 0.951 0.030 . 1 . . . . 77 LEU HD1 . 10094 1 859 . 1 1 77 77 LEU HD13 H 1 0.951 0.030 . 1 . . . . 77 LEU HD1 . 10094 1 860 . 1 1 77 77 LEU HD21 H 1 0.843 0.030 . 1 . . . . 77 LEU HD2 . 10094 1 861 . 1 1 77 77 LEU HD22 H 1 0.843 0.030 . 1 . . . . 77 LEU HD2 . 10094 1 862 . 1 1 77 77 LEU HD23 H 1 0.843 0.030 . 1 . . . . 77 LEU HD2 . 10094 1 863 . 1 1 77 77 LEU C C 13 180.339 0.300 . 1 . . . . 77 LEU C . 10094 1 864 . 1 1 77 77 LEU CA C 13 59.564 0.300 . 1 . . . . 77 LEU CA . 10094 1 865 . 1 1 77 77 LEU CB C 13 40.769 0.300 . 1 . . . . 77 LEU CB . 10094 1 866 . 1 1 77 77 LEU CG C 13 27.364 0.300 . 1 . . . . 77 LEU CG . 10094 1 867 . 1 1 77 77 LEU CD1 C 13 25.084 0.300 . 2 . . . . 77 LEU CD1 . 10094 1 868 . 1 1 77 77 LEU CD2 C 13 23.548 0.300 . 2 . . . . 77 LEU CD2 . 10094 1 869 . 1 1 77 77 LEU N N 15 120.009 0.300 . 1 . . . . 77 LEU N . 10094 1 870 . 1 1 78 78 LYS H H 1 8.201 0.030 . 1 . . . . 78 LYS H . 10094 1 871 . 1 1 78 78 LYS HA H 1 4.123 0.030 . 1 . . . . 78 LYS HA . 10094 1 872 . 1 1 78 78 LYS HB2 H 1 1.790 0.030 . 2 . . . . 78 LYS HB2 . 10094 1 873 . 1 1 78 78 LYS HB3 H 1 1.724 0.030 . 2 . . . . 78 LYS HB3 . 10094 1 874 . 1 1 78 78 LYS HG2 H 1 1.460 0.030 . 1 . . . . 78 LYS HG2 . 10094 1 875 . 1 1 78 78 LYS HG3 H 1 1.460 0.030 . 1 . . . . 78 LYS HG3 . 10094 1 876 . 1 1 78 78 LYS HD2 H 1 1.723 0.030 . 2 . . . . 78 LYS HD2 . 10094 1 877 . 1 1 78 78 LYS HD3 H 1 1.666 0.030 . 2 . . . . 78 LYS HD3 . 10094 1 878 . 1 1 78 78 LYS HE2 H 1 2.967 0.030 . 1 . . . . 78 LYS HE2 . 10094 1 879 . 1 1 78 78 LYS HE3 H 1 2.967 0.030 . 1 . . . . 78 LYS HE3 . 10094 1 880 . 1 1 78 78 LYS C C 13 180.023 0.300 . 1 . . . . 78 LYS C . 10094 1 881 . 1 1 78 78 LYS CA C 13 58.588 0.300 . 1 . . . . 78 LYS CA . 10094 1 882 . 1 1 78 78 LYS CB C 13 32.049 0.300 . 1 . . . . 78 LYS CB . 10094 1 883 . 1 1 78 78 LYS CG C 13 24.747 0.300 . 1 . . . . 78 LYS CG . 10094 1 884 . 1 1 78 78 LYS CD C 13 28.550 0.300 . 1 . . . . 78 LYS CD . 10094 1 885 . 1 1 78 78 LYS CE C 13 42.052 0.300 . 1 . . . . 78 LYS CE . 10094 1 886 . 1 1 78 78 LYS N N 15 118.144 0.300 . 1 . . . . 78 LYS N . 10094 1 887 . 1 1 79 79 GLY H H 1 8.112 0.030 . 1 . . . . 79 GLY H . 10094 1 888 . 1 1 79 79 GLY HA2 H 1 3.969 0.030 . 2 . . . . 79 GLY HA2 . 10094 1 889 . 1 1 79 79 GLY HA3 H 1 3.792 0.030 . 2 . . . . 79 GLY HA3 . 10094 1 890 . 1 1 79 79 GLY C C 13 175.403 0.300 . 1 . . . . 79 GLY C . 10094 1 891 . 1 1 79 79 GLY CA C 13 46.587 0.300 . 1 . . . . 79 GLY CA . 10094 1 892 . 1 1 79 79 GLY N N 15 109.446 0.300 . 1 . . . . 79 GLY N . 10094 1 893 . 1 1 80 80 ARG H H 1 7.878 0.030 . 1 . . . . 80 ARG H . 10094 1 894 . 1 1 80 80 ARG HA H 1 4.141 0.030 . 1 . . . . 80 ARG HA . 10094 1 895 . 1 1 80 80 ARG HB2 H 1 1.642 0.030 . 1 . . . . 80 ARG HB2 . 10094 1 896 . 1 1 80 80 ARG HB3 H 1 1.642 0.030 . 1 . . . . 80 ARG HB3 . 10094 1 897 . 1 1 80 80 ARG HG2 H 1 -0.002 0.030 . 2 . . . . 80 ARG HG2 . 10094 1 898 . 1 1 80 80 ARG HG3 H 1 1.482 0.030 . 2 . . . . 80 ARG HG3 . 10094 1 899 . 1 1 80 80 ARG HD2 H 1 1.977 0.030 . 2 . . . . 80 ARG HD2 . 10094 1 900 . 1 1 80 80 ARG HD3 H 1 2.185 0.030 . 2 . . . . 80 ARG HD3 . 10094 1 901 . 1 1 80 80 ARG HE H 1 4.940 0.030 . 1 . . . . 80 ARG HE . 10094 1 902 . 1 1 80 80 ARG C C 13 178.379 0.300 . 1 . . . . 80 ARG C . 10094 1 903 . 1 1 80 80 ARG CA C 13 58.579 0.300 . 1 . . . . 80 ARG CA . 10094 1 904 . 1 1 80 80 ARG CB C 13 31.572 0.300 . 1 . . . . 80 ARG CB . 10094 1 905 . 1 1 80 80 ARG CG C 13 28.737 0.300 . 1 . . . . 80 ARG CG . 10094 1 906 . 1 1 80 80 ARG CD C 13 43.734 0.300 . 1 . . . . 80 ARG CD . 10094 1 907 . 1 1 80 80 ARG N N 15 118.024 0.300 . 1 . . . . 80 ARG N . 10094 1 908 . 1 1 81 81 GLU H H 1 7.488 0.030 . 1 . . . . 81 GLU H . 10094 1 909 . 1 1 81 81 GLU HA H 1 3.985 0.030 . 1 . . . . 81 GLU HA . 10094 1 910 . 1 1 81 81 GLU HB2 H 1 2.291 0.030 . 2 . . . . 81 GLU HB2 . 10094 1 911 . 1 1 81 81 GLU HB3 H 1 2.178 0.030 . 2 . . . . 81 GLU HB3 . 10094 1 912 . 1 1 81 81 GLU HG2 H 1 2.524 0.030 . 2 . . . . 81 GLU HG2 . 10094 1 913 . 1 1 81 81 GLU HG3 H 1 2.108 0.030 . 2 . . . . 81 GLU HG3 . 10094 1 914 . 1 1 81 81 GLU C C 13 178.379 0.300 . 1 . . . . 81 GLU C . 10094 1 915 . 1 1 81 81 GLU CA C 13 61.756 0.300 . 1 . . . . 81 GLU CA . 10094 1 916 . 1 1 81 81 GLU CB C 13 27.475 0.300 . 1 . . . . 81 GLU CB . 10094 1 917 . 1 1 81 81 GLU CG C 13 36.794 0.300 . 1 . . . . 81 GLU CG . 10094 1 918 . 1 1 81 81 GLU N N 15 118.760 0.300 . 1 . . . . 81 GLU N . 10094 1 919 . 1 1 82 82 PRO HA H 1 4.232 0.030 . 1 . . . . 82 PRO HA . 10094 1 920 . 1 1 82 82 PRO HB2 H 1 2.073 0.030 . 2 . . . . 82 PRO HB2 . 10094 1 921 . 1 1 82 82 PRO HB3 H 1 1.091 0.030 . 2 . . . . 82 PRO HB3 . 10094 1 922 . 1 1 82 82 PRO HG2 H 1 1.835 0.030 . 2 . . . . 82 PRO HG2 . 10094 1 923 . 1 1 82 82 PRO HG3 H 1 2.064 0.030 . 2 . . . . 82 PRO HG3 . 10094 1 924 . 1 1 82 82 PRO HD2 H 1 3.655 0.030 . 2 . . . . 82 PRO HD2 . 10094 1 925 . 1 1 82 82 PRO HD3 H 1 4.033 0.030 . 2 . . . . 82 PRO HD3 . 10094 1 926 . 1 1 82 82 PRO C C 13 178.214 0.300 . 1 . . . . 82 PRO C . 10094 1 927 . 1 1 82 82 PRO CA C 13 65.737 0.300 . 1 . . . . 82 PRO CA . 10094 1 928 . 1 1 82 82 PRO CB C 13 31.175 0.300 . 1 . . . . 82 PRO CB . 10094 1 929 . 1 1 82 82 PRO CG C 13 28.080 0.300 . 1 . . . . 82 PRO CG . 10094 1 930 . 1 1 82 82 PRO CD C 13 49.786 0.300 . 1 . . . . 82 PRO CD . 10094 1 931 . 1 1 83 83 PHE H H 1 6.982 0.030 . 1 . . . . 83 PHE H . 10094 1 932 . 1 1 83 83 PHE HA H 1 4.349 0.030 . 1 . . . . 83 PHE HA . 10094 1 933 . 1 1 83 83 PHE HB2 H 1 3.363 0.030 . 2 . . . . 83 PHE HB2 . 10094 1 934 . 1 1 83 83 PHE HB3 H 1 3.220 0.030 . 2 . . . . 83 PHE HB3 . 10094 1 935 . 1 1 83 83 PHE HD1 H 1 7.389 0.030 . 1 . . . . 83 PHE HD1 . 10094 1 936 . 1 1 83 83 PHE HD2 H 1 7.389 0.030 . 1 . . . . 83 PHE HD2 . 10094 1 937 . 1 1 83 83 PHE HE1 H 1 7.495 0.030 . 1 . . . . 83 PHE HE1 . 10094 1 938 . 1 1 83 83 PHE HE2 H 1 7.495 0.030 . 1 . . . . 83 PHE HE2 . 10094 1 939 . 1 1 83 83 PHE HZ H 1 7.617 0.030 . 1 . . . . 83 PHE HZ . 10094 1 940 . 1 1 83 83 PHE C C 13 177.532 0.300 . 1 . . . . 83 PHE C . 10094 1 941 . 1 1 83 83 PHE CA C 13 62.172 0.300 . 1 . . . . 83 PHE CA . 10094 1 942 . 1 1 83 83 PHE CB C 13 39.177 0.300 . 1 . . . . 83 PHE CB . 10094 1 943 . 1 1 83 83 PHE CD1 C 13 131.190 0.300 . 1 . . . . 83 PHE CD1 . 10094 1 944 . 1 1 83 83 PHE CD2 C 13 131.190 0.300 . 1 . . . . 83 PHE CD2 . 10094 1 945 . 1 1 83 83 PHE CE1 C 13 132.769 0.300 . 1 . . . . 83 PHE CE1 . 10094 1 946 . 1 1 83 83 PHE CE2 C 13 132.769 0.300 . 1 . . . . 83 PHE CE2 . 10094 1 947 . 1 1 83 83 PHE CZ C 13 131.011 0.300 . 1 . . . . 83 PHE CZ . 10094 1 948 . 1 1 83 83 PHE N N 15 114.836 0.300 . 1 . . . . 83 PHE N . 10094 1 949 . 1 1 84 84 VAL H H 1 7.993 0.030 . 1 . . . . 84 VAL H . 10094 1 950 . 1 1 84 84 VAL HA H 1 3.794 0.030 . 1 . . . . 84 VAL HA . 10094 1 951 . 1 1 84 84 VAL HB H 1 2.302 0.030 . 1 . . . . 84 VAL HB . 10094 1 952 . 1 1 84 84 VAL HG11 H 1 1.030 0.030 . 1 . . . . 84 VAL HG1 . 10094 1 953 . 1 1 84 84 VAL HG12 H 1 1.030 0.030 . 1 . . . . 84 VAL HG1 . 10094 1 954 . 1 1 84 84 VAL HG13 H 1 1.030 0.030 . 1 . . . . 84 VAL HG1 . 10094 1 955 . 1 1 84 84 VAL HG21 H 1 1.434 0.030 . 1 . . . . 84 VAL HG2 . 10094 1 956 . 1 1 84 84 VAL HG22 H 1 1.434 0.030 . 1 . . . . 84 VAL HG2 . 10094 1 957 . 1 1 84 84 VAL HG23 H 1 1.434 0.030 . 1 . . . . 84 VAL HG2 . 10094 1 958 . 1 1 84 84 VAL C C 13 178.403 0.300 . 1 . . . . 84 VAL C . 10094 1 959 . 1 1 84 84 VAL CA C 13 66.731 0.300 . 1 . . . . 84 VAL CA . 10094 1 960 . 1 1 84 84 VAL CB C 13 31.718 0.300 . 1 . . . . 84 VAL CB . 10094 1 961 . 1 1 84 84 VAL CG1 C 13 21.387 0.300 . 2 . . . . 84 VAL CG1 . 10094 1 962 . 1 1 84 84 VAL CG2 C 13 23.858 0.300 . 2 . . . . 84 VAL CG2 . 10094 1 963 . 1 1 84 84 VAL N N 15 120.841 0.300 . 1 . . . . 84 VAL N . 10094 1 964 . 1 1 85 85 ARG H H 1 8.376 0.030 . 1 . . . . 85 ARG H . 10094 1 965 . 1 1 85 85 ARG HA H 1 4.003 0.030 . 1 . . . . 85 ARG HA . 10094 1 966 . 1 1 85 85 ARG HB2 H 1 1.862 0.030 . 2 . . . . 85 ARG HB2 . 10094 1 967 . 1 1 85 85 ARG HB3 H 1 1.604 0.030 . 2 . . . . 85 ARG HB3 . 10094 1 968 . 1 1 85 85 ARG HG2 H 1 1.621 0.030 . 2 . . . . 85 ARG HG2 . 10094 1 969 . 1 1 85 85 ARG HG3 H 1 1.847 0.030 . 2 . . . . 85 ARG HG3 . 10094 1 970 . 1 1 85 85 ARG HD2 H 1 3.196 0.030 . 2 . . . . 85 ARG HD2 . 10094 1 971 . 1 1 85 85 ARG HD3 H 1 3.309 0.030 . 2 . . . . 85 ARG HD3 . 10094 1 972 . 1 1 85 85 ARG HE H 1 7.789 0.030 . 1 . . . . 85 ARG HE . 10094 1 973 . 1 1 85 85 ARG C C 13 180.123 0.300 . 1 . . . . 85 ARG C . 10094 1 974 . 1 1 85 85 ARG CA C 13 60.541 0.300 . 1 . . . . 85 ARG CA . 10094 1 975 . 1 1 85 85 ARG CB C 13 30.234 0.300 . 1 . . . . 85 ARG CB . 10094 1 976 . 1 1 85 85 ARG CG C 13 29.320 0.300 . 1 . . . . 85 ARG CG . 10094 1 977 . 1 1 85 85 ARG CD C 13 43.393 0.300 . 1 . . . . 85 ARG CD . 10094 1 978 . 1 1 85 85 ARG N N 15 117.681 0.300 . 1 . . . . 85 ARG N . 10094 1 979 . 1 1 85 85 ARG NE N 15 84.733 0.300 . 1 . . . . 85 ARG NE . 10094 1 980 . 1 1 86 86 MET H H 1 8.451 0.030 . 1 . . . . 86 MET H . 10094 1 981 . 1 1 86 86 MET HA H 1 3.996 0.030 . 1 . . . . 86 MET HA . 10094 1 982 . 1 1 86 86 MET HB2 H 1 1.890 0.030 . 2 . . . . 86 MET HB2 . 10094 1 983 . 1 1 86 86 MET HB3 H 1 2.550 0.030 . 2 . . . . 86 MET HB3 . 10094 1 984 . 1 1 86 86 MET HG2 H 1 3.149 0.030 . 2 . . . . 86 MET HG2 . 10094 1 985 . 1 1 86 86 MET HG3 H 1 2.555 0.030 . 2 . . . . 86 MET HG3 . 10094 1 986 . 1 1 86 86 MET HE1 H 1 1.565 0.030 . 1 . . . . 86 MET HE . 10094 1 987 . 1 1 86 86 MET HE2 H 1 1.565 0.030 . 1 . . . . 86 MET HE . 10094 1 988 . 1 1 86 86 MET HE3 H 1 1.565 0.030 . 1 . . . . 86 MET HE . 10094 1 989 . 1 1 86 86 MET C C 13 176.733 0.300 . 1 . . . . 86 MET C . 10094 1 990 . 1 1 86 86 MET CA C 13 61.115 0.300 . 1 . . . . 86 MET CA . 10094 1 991 . 1 1 86 86 MET CB C 13 34.593 0.300 . 1 . . . . 86 MET CB . 10094 1 992 . 1 1 86 86 MET CG C 13 34.592 0.300 . 1 . . . . 86 MET CG . 10094 1 993 . 1 1 86 86 MET CE C 13 18.423 0.300 . 1 . . . . 86 MET CE . 10094 1 994 . 1 1 86 86 MET N N 15 118.656 0.300 . 1 . . . . 86 MET N . 10094 1 995 . 1 1 87 87 GLN H H 1 8.283 0.030 . 1 . . . . 87 GLN H . 10094 1 996 . 1 1 87 87 GLN HA H 1 4.192 0.030 . 1 . . . . 87 GLN HA . 10094 1 997 . 1 1 87 87 GLN HB2 H 1 2.411 0.030 . 2 . . . . 87 GLN HB2 . 10094 1 998 . 1 1 87 87 GLN HB3 H 1 2.221 0.030 . 2 . . . . 87 GLN HB3 . 10094 1 999 . 1 1 87 87 GLN HG2 H 1 2.351 0.030 . 2 . . . . 87 GLN HG2 . 10094 1 1000 . 1 1 87 87 GLN HG3 H 1 2.284 0.030 . 2 . . . . 87 GLN HG3 . 10094 1 1001 . 1 1 87 87 GLN HE21 H 1 7.243 0.030 . 2 . . . . 87 GLN HE21 . 10094 1 1002 . 1 1 87 87 GLN HE22 H 1 6.568 0.030 . 2 . . . . 87 GLN HE22 . 10094 1 1003 . 1 1 87 87 GLN C C 13 178.184 0.300 . 1 . . . . 87 GLN C . 10094 1 1004 . 1 1 87 87 GLN CA C 13 59.293 0.300 . 1 . . . . 87 GLN CA . 10094 1 1005 . 1 1 87 87 GLN CB C 13 28.537 0.300 . 1 . . . . 87 GLN CB . 10094 1 1006 . 1 1 87 87 GLN CG C 13 33.531 0.300 . 1 . . . . 87 GLN CG . 10094 1 1007 . 1 1 87 87 GLN N N 15 120.611 0.300 . 1 . . . . 87 GLN N . 10094 1 1008 . 1 1 87 87 GLN NE2 N 15 111.296 0.300 . 1 . . . . 87 GLN NE2 . 10094 1 1009 . 1 1 88 88 LEU H H 1 8.364 0.030 . 1 . . . . 88 LEU H . 10094 1 1010 . 1 1 88 88 LEU HA H 1 4.069 0.030 . 1 . . . . 88 LEU HA . 10094 1 1011 . 1 1 88 88 LEU HB2 H 1 1.970 0.030 . 2 . . . . 88 LEU HB2 . 10094 1 1012 . 1 1 88 88 LEU HB3 H 1 1.581 0.030 . 2 . . . . 88 LEU HB3 . 10094 1 1013 . 1 1 88 88 LEU HG H 1 1.937 0.030 . 1 . . . . 88 LEU HG . 10094 1 1014 . 1 1 88 88 LEU HD11 H 1 0.909 0.030 . 1 . . . . 88 LEU HD1 . 10094 1 1015 . 1 1 88 88 LEU HD12 H 1 0.909 0.030 . 1 . . . . 88 LEU HD1 . 10094 1 1016 . 1 1 88 88 LEU HD13 H 1 0.909 0.030 . 1 . . . . 88 LEU HD1 . 10094 1 1017 . 1 1 88 88 LEU HD21 H 1 0.898 0.030 . 1 . . . . 88 LEU HD2 . 10094 1 1018 . 1 1 88 88 LEU HD22 H 1 0.898 0.030 . 1 . . . . 88 LEU HD2 . 10094 1 1019 . 1 1 88 88 LEU HD23 H 1 0.898 0.030 . 1 . . . . 88 LEU HD2 . 10094 1 1020 . 1 1 88 88 LEU C C 13 180.148 0.300 . 1 . . . . 88 LEU C . 10094 1 1021 . 1 1 88 88 LEU CA C 13 58.200 0.300 . 1 . . . . 88 LEU CA . 10094 1 1022 . 1 1 88 88 LEU CB C 13 41.702 0.300 . 1 . . . . 88 LEU CB . 10094 1 1023 . 1 1 88 88 LEU CG C 13 26.983 0.300 . 1 . . . . 88 LEU CG . 10094 1 1024 . 1 1 88 88 LEU CD1 C 13 22.717 0.300 . 2 . . . . 88 LEU CD1 . 10094 1 1025 . 1 1 88 88 LEU CD2 C 13 25.571 0.300 . 2 . . . . 88 LEU CD2 . 10094 1 1026 . 1 1 88 88 LEU N N 15 118.784 0.300 . 1 . . . . 88 LEU N . 10094 1 1027 . 1 1 89 89 TRP H H 1 8.185 0.030 . 1 . . . . 89 TRP H . 10094 1 1028 . 1 1 89 89 TRP HA H 1 4.354 0.030 . 1 . . . . 89 TRP HA . 10094 1 1029 . 1 1 89 89 TRP HB2 H 1 3.719 0.030 . 2 . . . . 89 TRP HB2 . 10094 1 1030 . 1 1 89 89 TRP HB3 H 1 3.333 0.030 . 2 . . . . 89 TRP HB3 . 10094 1 1031 . 1 1 89 89 TRP HD1 H 1 7.563 0.030 . 1 . . . . 89 TRP HD1 . 10094 1 1032 . 1 1 89 89 TRP HE1 H 1 10.215 0.030 . 1 . . . . 89 TRP HE1 . 10094 1 1033 . 1 1 89 89 TRP HE3 H 1 7.506 0.030 . 1 . . . . 89 TRP HE3 . 10094 1 1034 . 1 1 89 89 TRP HZ2 H 1 7.086 0.030 . 1 . . . . 89 TRP HZ2 . 10094 1 1035 . 1 1 89 89 TRP HH2 H 1 6.744 0.030 . 1 . . . . 89 TRP HH2 . 10094 1 1036 . 1 1 89 89 TRP C C 13 179.445 0.300 . 1 . . . . 89 TRP C . 10094 1 1037 . 1 1 89 89 TRP CA C 13 62.249 0.300 . 1 . . . . 89 TRP CA . 10094 1 1038 . 1 1 89 89 TRP CB C 13 28.443 0.300 . 1 . . . . 89 TRP CB . 10094 1 1039 . 1 1 89 89 TRP CD1 C 13 128.420 0.300 . 1 . . . . 89 TRP CD1 . 10094 1 1040 . 1 1 89 89 TRP CE3 C 13 119.811 0.300 . 1 . . . . 89 TRP CE3 . 10094 1 1041 . 1 1 89 89 TRP CZ2 C 13 113.376 0.300 . 1 . . . . 89 TRP CZ2 . 10094 1 1042 . 1 1 89 89 TRP CZ3 C 13 121.985 0.300 . 1 . . . . 89 TRP CZ3 . 10094 1 1043 . 1 1 89 89 TRP CH2 C 13 124.428 0.300 . 1 . . . . 89 TRP CH2 . 10094 1 1044 . 1 1 89 89 TRP N N 15 121.383 0.300 . 1 . . . . 89 TRP N . 10094 1 1045 . 1 1 89 89 TRP NE1 N 15 130.170 0.300 . 1 . . . . 89 TRP NE1 . 10094 1 1046 . 1 1 90 90 LEU H H 1 8.749 0.030 . 1 . . . . 90 LEU H . 10094 1 1047 . 1 1 90 90 LEU HA H 1 3.589 0.030 . 1 . . . . 90 LEU HA . 10094 1 1048 . 1 1 90 90 LEU HB2 H 1 2.158 0.030 . 2 . . . . 90 LEU HB2 . 10094 1 1049 . 1 1 90 90 LEU HB3 H 1 1.377 0.030 . 2 . . . . 90 LEU HB3 . 10094 1 1050 . 1 1 90 90 LEU HG H 1 2.169 0.030 . 1 . . . . 90 LEU HG . 10094 1 1051 . 1 1 90 90 LEU HD11 H 1 1.042 0.030 . 1 . . . . 90 LEU HD1 . 10094 1 1052 . 1 1 90 90 LEU HD12 H 1 1.042 0.030 . 1 . . . . 90 LEU HD1 . 10094 1 1053 . 1 1 90 90 LEU HD13 H 1 1.042 0.030 . 1 . . . . 90 LEU HD1 . 10094 1 1054 . 1 1 90 90 LEU HD21 H 1 0.939 0.030 . 1 . . . . 90 LEU HD2 . 10094 1 1055 . 1 1 90 90 LEU HD22 H 1 0.939 0.030 . 1 . . . . 90 LEU HD2 . 10094 1 1056 . 1 1 90 90 LEU HD23 H 1 0.939 0.030 . 1 . . . . 90 LEU HD2 . 10094 1 1057 . 1 1 90 90 LEU C C 13 178.114 0.300 . 1 . . . . 90 LEU C . 10094 1 1058 . 1 1 90 90 LEU CA C 13 57.296 0.300 . 1 . . . . 90 LEU CA . 10094 1 1059 . 1 1 90 90 LEU CB C 13 42.445 0.300 . 1 . . . . 90 LEU CB . 10094 1 1060 . 1 1 90 90 LEU CG C 13 27.085 0.300 . 1 . . . . 90 LEU CG . 10094 1 1061 . 1 1 90 90 LEU CD1 C 13 26.580 0.300 . 2 . . . . 90 LEU CD1 . 10094 1 1062 . 1 1 90 90 LEU CD2 C 13 23.080 0.300 . 2 . . . . 90 LEU CD2 . 10094 1 1063 . 1 1 90 90 LEU N N 15 119.064 0.300 . 1 . . . . 90 LEU N . 10094 1 1064 . 1 1 91 91 ASN H H 1 7.422 0.030 . 1 . . . . 91 ASN H . 10094 1 1065 . 1 1 91 91 ASN HA H 1 4.542 0.030 . 1 . . . . 91 ASN HA . 10094 1 1066 . 1 1 91 91 ASN HB2 H 1 2.969 0.030 . 2 . . . . 91 ASN HB2 . 10094 1 1067 . 1 1 91 91 ASN HB3 H 1 2.778 0.030 . 2 . . . . 91 ASN HB3 . 10094 1 1068 . 1 1 91 91 ASN HD21 H 1 7.599 0.030 . 2 . . . . 91 ASN HD21 . 10094 1 1069 . 1 1 91 91 ASN HD22 H 1 6.887 0.030 . 2 . . . . 91 ASN HD22 . 10094 1 1070 . 1 1 91 91 ASN C C 13 174.280 0.300 . 1 . . . . 91 ASN C . 10094 1 1071 . 1 1 91 91 ASN CA C 13 53.229 0.300 . 1 . . . . 91 ASN CA . 10094 1 1072 . 1 1 91 91 ASN CB C 13 39.045 0.300 . 1 . . . . 91 ASN CB . 10094 1 1073 . 1 1 91 91 ASN N N 15 115.142 0.300 . 1 . . . . 91 ASN N . 10094 1 1074 . 1 1 91 91 ASN ND2 N 15 110.746 0.300 . 1 . . . . 91 ASN ND2 . 10094 1 1075 . 1 1 92 92 ASP H H 1 7.202 0.030 . 1 . . . . 92 ASP H . 10094 1 1076 . 1 1 92 92 ASP HA H 1 4.928 0.030 . 1 . . . . 92 ASP HA . 10094 1 1077 . 1 1 92 92 ASP HB2 H 1 2.994 0.030 . 2 . . . . 92 ASP HB2 . 10094 1 1078 . 1 1 92 92 ASP HB3 H 1 2.640 0.030 . 2 . . . . 92 ASP HB3 . 10094 1 1079 . 1 1 92 92 ASP C C 13 174.280 0.300 . 1 . . . . 92 ASP C . 10094 1 1080 . 1 1 92 92 ASP CA C 13 50.863 0.300 . 1 . . . . 92 ASP CA . 10094 1 1081 . 1 1 92 92 ASP CB C 13 41.670 0.300 . 1 . . . . 92 ASP CB . 10094 1 1082 . 1 1 92 92 ASP N N 15 122.245 0.300 . 1 . . . . 92 ASP N . 10094 1 1083 . 1 1 93 93 PRO HA H 1 4.231 0.030 . 1 . . . . 93 PRO HA . 10094 1 1084 . 1 1 93 93 PRO HB2 H 1 2.221 0.030 . 2 . . . . 93 PRO HB2 . 10094 1 1085 . 1 1 93 93 PRO HB3 H 1 1.490 0.030 . 2 . . . . 93 PRO HB3 . 10094 1 1086 . 1 1 93 93 PRO HG2 H 1 1.947 0.030 . 2 . . . . 93 PRO HG2 . 10094 1 1087 . 1 1 93 93 PRO HG3 H 1 1.699 0.030 . 2 . . . . 93 PRO HG3 . 10094 1 1088 . 1 1 93 93 PRO HD2 H 1 4.025 0.030 . 2 . . . . 93 PRO HD2 . 10094 1 1089 . 1 1 93 93 PRO HD3 H 1 3.928 0.030 . 2 . . . . 93 PRO HD3 . 10094 1 1090 . 1 1 93 93 PRO C C 13 177.767 0.300 . 1 . . . . 93 PRO C . 10094 1 1091 . 1 1 93 93 PRO CA C 13 63.944 0.300 . 1 . . . . 93 PRO CA . 10094 1 1092 . 1 1 93 93 PRO CB C 13 32.064 0.300 . 1 . . . . 93 PRO CB . 10094 1 1093 . 1 1 93 93 PRO CG C 13 26.890 0.300 . 1 . . . . 93 PRO CG . 10094 1 1094 . 1 1 93 93 PRO CD C 13 51.104 0.300 . 1 . . . . 93 PRO CD . 10094 1 1095 . 1 1 94 94 HIS H H 1 8.405 0.030 . 1 . . . . 94 HIS H . 10094 1 1096 . 1 1 94 94 HIS HA H 1 4.912 0.030 . 1 . . . . 94 HIS HA . 10094 1 1097 . 1 1 94 94 HIS HB2 H 1 2.944 0.030 . 2 . . . . 94 HIS HB2 . 10094 1 1098 . 1 1 94 94 HIS HB3 H 1 3.516 0.030 . 2 . . . . 94 HIS HB3 . 10094 1 1099 . 1 1 94 94 HIS HD2 H 1 7.200 0.030 . 1 . . . . 94 HIS HD2 . 10094 1 1100 . 1 1 94 94 HIS HE1 H 1 8.231 0.030 . 1 . . . . 94 HIS HE1 . 10094 1 1101 . 1 1 94 94 HIS C C 13 174.454 0.300 . 1 . . . . 94 HIS C . 10094 1 1102 . 1 1 94 94 HIS CA C 13 55.145 0.300 . 1 . . . . 94 HIS CA . 10094 1 1103 . 1 1 94 94 HIS CB C 13 29.043 0.300 . 1 . . . . 94 HIS CB . 10094 1 1104 . 1 1 94 94 HIS CD2 C 13 121.062 0.300 . 1 . . . . 94 HIS CD2 . 10094 1 1105 . 1 1 94 94 HIS CE1 C 13 137.504 0.300 . 1 . . . . 94 HIS CE1 . 10094 1 1106 . 1 1 94 94 HIS N N 15 117.010 0.300 . 1 . . . . 94 HIS N . 10094 1 1107 . 1 1 95 95 ASN H H 1 7.784 0.030 . 1 . . . . 95 ASN H . 10094 1 1108 . 1 1 95 95 ASN HA H 1 3.780 0.030 . 1 . . . . 95 ASN HA . 10094 1 1109 . 1 1 95 95 ASN HB2 H 1 2.744 0.030 . 2 . . . . 95 ASN HB2 . 10094 1 1110 . 1 1 95 95 ASN HB3 H 1 1.202 0.030 . 2 . . . . 95 ASN HB3 . 10094 1 1111 . 1 1 95 95 ASN HD21 H 1 6.296 0.030 . 2 . . . . 95 ASN HD21 . 10094 1 1112 . 1 1 95 95 ASN HD22 H 1 6.120 0.030 . 2 . . . . 95 ASN HD22 . 10094 1 1113 . 1 1 95 95 ASN C C 13 177.917 0.300 . 1 . . . . 95 ASN C . 10094 1 1114 . 1 1 95 95 ASN CA C 13 56.733 0.300 . 1 . . . . 95 ASN CA . 10094 1 1115 . 1 1 95 95 ASN CB C 13 34.174 0.300 . 1 . . . . 95 ASN CB . 10094 1 1116 . 1 1 95 95 ASN N N 15 119.585 0.300 . 1 . . . . 95 ASN N . 10094 1 1117 . 1 1 95 95 ASN ND2 N 15 109.658 0.300 . 1 . . . . 95 ASN ND2 . 10094 1 1118 . 1 1 96 96 VAL H H 1 8.584 0.030 . 1 . . . . 96 VAL H . 10094 1 1119 . 1 1 96 96 VAL HA H 1 3.598 0.030 . 1 . . . . 96 VAL HA . 10094 1 1120 . 1 1 96 96 VAL HB H 1 2.037 0.030 . 1 . . . . 96 VAL HB . 10094 1 1121 . 1 1 96 96 VAL HG11 H 1 0.872 0.030 . 1 . . . . 96 VAL HG1 . 10094 1 1122 . 1 1 96 96 VAL HG12 H 1 0.872 0.030 . 1 . . . . 96 VAL HG1 . 10094 1 1123 . 1 1 96 96 VAL HG13 H 1 0.872 0.030 . 1 . . . . 96 VAL HG1 . 10094 1 1124 . 1 1 96 96 VAL HG21 H 1 0.824 0.030 . 1 . . . . 96 VAL HG2 . 10094 1 1125 . 1 1 96 96 VAL HG22 H 1 0.824 0.030 . 1 . . . . 96 VAL HG2 . 10094 1 1126 . 1 1 96 96 VAL HG23 H 1 0.824 0.030 . 1 . . . . 96 VAL HG2 . 10094 1 1127 . 1 1 96 96 VAL C C 13 177.422 0.300 . 1 . . . . 96 VAL C . 10094 1 1128 . 1 1 96 96 VAL CA C 13 66.750 0.300 . 1 . . . . 96 VAL CA . 10094 1 1129 . 1 1 96 96 VAL CB C 13 31.617 0.300 . 1 . . . . 96 VAL CB . 10094 1 1130 . 1 1 96 96 VAL CG1 C 13 21.320 0.300 . 2 . . . . 96 VAL CG1 . 10094 1 1131 . 1 1 96 96 VAL CG2 C 13 22.514 0.300 . 2 . . . . 96 VAL CG2 . 10094 1 1132 . 1 1 96 96 VAL N N 15 123.740 0.300 . 1 . . . . 96 VAL N . 10094 1 1133 . 1 1 97 97 GLU H H 1 8.059 0.030 . 1 . . . . 97 GLU H . 10094 1 1134 . 1 1 97 97 GLU HA H 1 3.909 0.030 . 1 . . . . 97 GLU HA . 10094 1 1135 . 1 1 97 97 GLU HB2 H 1 2.118 0.030 . 1 . . . . 97 GLU HB2 . 10094 1 1136 . 1 1 97 97 GLU HB3 H 1 2.118 0.030 . 1 . . . . 97 GLU HB3 . 10094 1 1137 . 1 1 97 97 GLU HG2 H 1 2.354 0.030 . 1 . . . . 97 GLU HG2 . 10094 1 1138 . 1 1 97 97 GLU HG3 H 1 2.354 0.030 . 1 . . . . 97 GLU HG3 . 10094 1 1139 . 1 1 97 97 GLU C C 13 178.957 0.300 . 1 . . . . 97 GLU C . 10094 1 1140 . 1 1 97 97 GLU CA C 13 59.657 0.300 . 1 . . . . 97 GLU CA . 10094 1 1141 . 1 1 97 97 GLU CB C 13 29.575 0.300 . 1 . . . . 97 GLU CB . 10094 1 1142 . 1 1 97 97 GLU CG C 13 36.409 0.300 . 1 . . . . 97 GLU CG . 10094 1 1143 . 1 1 97 97 GLU N N 15 120.852 0.300 . 1 . . . . 97 GLU N . 10094 1 1144 . 1 1 98 98 LYS H H 1 8.139 0.030 . 1 . . . . 98 LYS H . 10094 1 1145 . 1 1 98 98 LYS HA H 1 4.131 0.030 . 1 . . . . 98 LYS HA . 10094 1 1146 . 1 1 98 98 LYS HB2 H 1 1.923 0.030 . 2 . . . . 98 LYS HB2 . 10094 1 1147 . 1 1 98 98 LYS HB3 H 1 1.857 0.030 . 2 . . . . 98 LYS HB3 . 10094 1 1148 . 1 1 98 98 LYS HG2 H 1 1.504 0.030 . 2 . . . . 98 LYS HG2 . 10094 1 1149 . 1 1 98 98 LYS HG3 H 1 1.702 0.030 . 2 . . . . 98 LYS HG3 . 10094 1 1150 . 1 1 98 98 LYS HD2 H 1 1.718 0.030 . 2 . . . . 98 LYS HD2 . 10094 1 1151 . 1 1 98 98 LYS HD3 H 1 1.664 0.030 . 2 . . . . 98 LYS HD3 . 10094 1 1152 . 1 1 98 98 LYS HE2 H 1 2.963 0.030 . 1 . . . . 98 LYS HE2 . 10094 1 1153 . 1 1 98 98 LYS HE3 H 1 2.963 0.030 . 1 . . . . 98 LYS HE3 . 10094 1 1154 . 1 1 98 98 LYS C C 13 179.400 0.300 . 1 . . . . 98 LYS C . 10094 1 1155 . 1 1 98 98 LYS CA C 13 59.265 0.300 . 1 . . . . 98 LYS CA . 10094 1 1156 . 1 1 98 98 LYS CB C 13 32.994 0.300 . 1 . . . . 98 LYS CB . 10094 1 1157 . 1 1 98 98 LYS CG C 13 26.265 0.300 . 1 . . . . 98 LYS CG . 10094 1 1158 . 1 1 98 98 LYS CD C 13 29.624 0.300 . 1 . . . . 98 LYS CD . 10094 1 1159 . 1 1 98 98 LYS CE C 13 42.169 0.300 . 1 . . . . 98 LYS CE . 10094 1 1160 . 1 1 98 98 LYS N N 15 116.325 0.300 . 1 . . . . 98 LYS N . 10094 1 1161 . 1 1 99 99 LEU H H 1 7.639 0.030 . 1 . . . . 99 LEU H . 10094 1 1162 . 1 1 99 99 LEU HA H 1 4.401 0.030 . 1 . . . . 99 LEU HA . 10094 1 1163 . 1 1 99 99 LEU HB2 H 1 2.026 0.030 . 1 . . . . 99 LEU HB2 . 10094 1 1164 . 1 1 99 99 LEU HB3 H 1 2.026 0.030 . 1 . . . . 99 LEU HB3 . 10094 1 1165 . 1 1 99 99 LEU HG H 1 1.962 0.030 . 1 . . . . 99 LEU HG . 10094 1 1166 . 1 1 99 99 LEU HD11 H 1 1.128 0.030 . 1 . . . . 99 LEU HD1 . 10094 1 1167 . 1 1 99 99 LEU HD12 H 1 1.128 0.030 . 1 . . . . 99 LEU HD1 . 10094 1 1168 . 1 1 99 99 LEU HD13 H 1 1.128 0.030 . 1 . . . . 99 LEU HD1 . 10094 1 1169 . 1 1 99 99 LEU HD21 H 1 1.046 0.030 . 1 . . . . 99 LEU HD2 . 10094 1 1170 . 1 1 99 99 LEU HD22 H 1 1.046 0.030 . 1 . . . . 99 LEU HD2 . 10094 1 1171 . 1 1 99 99 LEU HD23 H 1 1.046 0.030 . 1 . . . . 99 LEU HD2 . 10094 1 1172 . 1 1 99 99 LEU C C 13 178.570 0.300 . 1 . . . . 99 LEU C . 10094 1 1173 . 1 1 99 99 LEU CA C 13 57.262 0.300 . 1 . . . . 99 LEU CA . 10094 1 1174 . 1 1 99 99 LEU CB C 13 42.199 0.300 . 1 . . . . 99 LEU CB . 10094 1 1175 . 1 1 99 99 LEU CG C 13 27.288 0.300 . 1 . . . . 99 LEU CG . 10094 1 1176 . 1 1 99 99 LEU CD1 C 13 25.561 0.300 . 2 . . . . 99 LEU CD1 . 10094 1 1177 . 1 1 99 99 LEU CD2 C 13 26.374 0.300 . 2 . . . . 99 LEU CD2 . 10094 1 1178 . 1 1 99 99 LEU N N 15 119.731 0.300 . 1 . . . . 99 LEU N . 10094 1 1179 . 1 1 100 100 ARG H H 1 8.482 0.030 . 1 . . . . 100 ARG H . 10094 1 1180 . 1 1 100 100 ARG HA H 1 3.954 0.030 . 1 . . . . 100 ARG HA . 10094 1 1181 . 1 1 100 100 ARG HB2 H 1 1.962 0.030 . 1 . . . . 100 ARG HB2 . 10094 1 1182 . 1 1 100 100 ARG HB3 H 1 1.962 0.030 . 1 . . . . 100 ARG HB3 . 10094 1 1183 . 1 1 100 100 ARG HG2 H 1 1.680 0.030 . 2 . . . . 100 ARG HG2 . 10094 1 1184 . 1 1 100 100 ARG HG3 H 1 1.871 0.030 . 2 . . . . 100 ARG HG3 . 10094 1 1185 . 1 1 100 100 ARG HD2 H 1 3.234 0.030 . 1 . . . . 100 ARG HD2 . 10094 1 1186 . 1 1 100 100 ARG HD3 H 1 3.234 0.030 . 1 . . . . 100 ARG HD3 . 10094 1 1187 . 1 1 100 100 ARG C C 13 179.011 0.300 . 1 . . . . 100 ARG C . 10094 1 1188 . 1 1 100 100 ARG CA C 13 59.712 0.300 . 1 . . . . 100 ARG CA . 10094 1 1189 . 1 1 100 100 ARG CB C 13 30.370 0.300 . 1 . . . . 100 ARG CB . 10094 1 1190 . 1 1 100 100 ARG CG C 13 28.078 0.300 . 1 . . . . 100 ARG CG . 10094 1 1191 . 1 1 100 100 ARG CD C 13 43.744 0.300 . 1 . . . . 100 ARG CD . 10094 1 1192 . 1 1 100 100 ARG N N 15 119.296 0.300 . 1 . . . . 100 ARG N . 10094 1 1193 . 1 1 101 101 ASP H H 1 7.963 0.030 . 1 . . . . 101 ASP H . 10094 1 1194 . 1 1 101 101 ASP HA H 1 4.588 0.030 . 1 . . . . 101 ASP HA . 10094 1 1195 . 1 1 101 101 ASP HB2 H 1 2.762 0.030 . 1 . . . . 101 ASP HB2 . 10094 1 1196 . 1 1 101 101 ASP HB3 H 1 2.762 0.030 . 1 . . . . 101 ASP HB3 . 10094 1 1197 . 1 1 101 101 ASP C C 13 177.713 0.300 . 1 . . . . 101 ASP C . 10094 1 1198 . 1 1 101 101 ASP CA C 13 56.138 0.300 . 1 . . . . 101 ASP CA . 10094 1 1199 . 1 1 101 101 ASP CB C 13 40.649 0.300 . 1 . . . . 101 ASP CB . 10094 1 1200 . 1 1 101 101 ASP N N 15 118.835 0.300 . 1 . . . . 101 ASP N . 10094 1 1201 . 1 1 102 102 MET H H 1 7.771 0.030 . 1 . . . . 102 MET H . 10094 1 1202 . 1 1 102 102 MET HA H 1 4.310 0.030 . 1 . . . . 102 MET HA . 10094 1 1203 . 1 1 102 102 MET HB2 H 1 2.310 0.030 . 2 . . . . 102 MET HB2 . 10094 1 1204 . 1 1 102 102 MET HB3 H 1 2.181 0.030 . 2 . . . . 102 MET HB3 . 10094 1 1205 . 1 1 102 102 MET HG2 H 1 2.691 0.030 . 2 . . . . 102 MET HG2 . 10094 1 1206 . 1 1 102 102 MET HG3 H 1 2.829 0.030 . 2 . . . . 102 MET HG3 . 10094 1 1207 . 1 1 102 102 MET HE1 H 1 2.099 0.030 . 1 . . . . 102 MET HE . 10094 1 1208 . 1 1 102 102 MET HE2 H 1 2.099 0.030 . 1 . . . . 102 MET HE . 10094 1 1209 . 1 1 102 102 MET HE3 H 1 2.099 0.030 . 1 . . . . 102 MET HE . 10094 1 1210 . 1 1 102 102 MET C C 13 177.663 0.300 . 1 . . . . 102 MET C . 10094 1 1211 . 1 1 102 102 MET CA C 13 57.388 0.300 . 1 . . . . 102 MET CA . 10094 1 1212 . 1 1 102 102 MET CB C 13 32.608 0.300 . 1 . . . . 102 MET CB . 10094 1 1213 . 1 1 102 102 MET CG C 13 32.469 0.300 . 1 . . . . 102 MET CG . 10094 1 1214 . 1 1 102 102 MET CE C 13 17.271 0.300 . 1 . . . . 102 MET CE . 10094 1 1215 . 1 1 102 102 MET N N 15 119.282 0.300 . 1 . . . . 102 MET N . 10094 1 1216 . 1 1 103 103 LYS H H 1 8.046 0.030 . 1 . . . . 103 LYS H . 10094 1 1217 . 1 1 103 103 LYS HA H 1 4.161 0.030 . 1 . . . . 103 LYS HA . 10094 1 1218 . 1 1 103 103 LYS HB2 H 1 1.987 0.030 . 2 . . . . 103 LYS HB2 . 10094 1 1219 . 1 1 103 103 LYS HB3 H 1 1.872 0.030 . 2 . . . . 103 LYS HB3 . 10094 1 1220 . 1 1 103 103 LYS HG2 H 1 1.463 0.030 . 2 . . . . 103 LYS HG2 . 10094 1 1221 . 1 1 103 103 LYS HG3 H 1 1.562 0.030 . 2 . . . . 103 LYS HG3 . 10094 1 1222 . 1 1 103 103 LYS HD2 H 1 1.776 0.030 . 1 . . . . 103 LYS HD2 . 10094 1 1223 . 1 1 103 103 LYS HD3 H 1 1.776 0.030 . 1 . . . . 103 LYS HD3 . 10094 1 1224 . 1 1 103 103 LYS HE2 H 1 3.052 0.030 . 1 . . . . 103 LYS HE2 . 10094 1 1225 . 1 1 103 103 LYS HE3 H 1 3.052 0.030 . 1 . . . . 103 LYS HE3 . 10094 1 1226 . 1 1 103 103 LYS C C 13 177.343 0.300 . 1 . . . . 103 LYS C . 10094 1 1227 . 1 1 103 103 LYS CA C 13 57.725 0.300 . 1 . . . . 103 LYS CA . 10094 1 1228 . 1 1 103 103 LYS CB C 13 32.620 0.300 . 1 . . . . 103 LYS CB . 10094 1 1229 . 1 1 103 103 LYS CG C 13 24.946 0.300 . 1 . . . . 103 LYS CG . 10094 1 1230 . 1 1 103 103 LYS CD C 13 29.396 0.300 . 1 . . . . 103 LYS CD . 10094 1 1231 . 1 1 103 103 LYS CE C 13 42.251 0.300 . 1 . . . . 103 LYS CE . 10094 1 1232 . 1 1 103 103 LYS N N 15 120.954 0.300 . 1 . . . . 103 LYS N . 10094 1 1233 . 1 1 104 104 LYS H H 1 7.962 0.030 . 1 . . . . 104 LYS H . 10094 1 1234 . 1 1 104 104 LYS HA H 1 4.251 0.030 . 1 . . . . 104 LYS HA . 10094 1 1235 . 1 1 104 104 LYS HB2 H 1 1.912 0.030 . 2 . . . . 104 LYS HB2 . 10094 1 1236 . 1 1 104 104 LYS HB3 H 1 1.864 0.030 . 2 . . . . 104 LYS HB3 . 10094 1 1237 . 1 1 104 104 LYS HG2 H 1 1.536 0.030 . 2 . . . . 104 LYS HG2 . 10094 1 1238 . 1 1 104 104 LYS HG3 H 1 1.464 0.030 . 2 . . . . 104 LYS HG3 . 10094 1 1239 . 1 1 104 104 LYS HD2 H 1 1.695 0.030 . 1 . . . . 104 LYS HD2 . 10094 1 1240 . 1 1 104 104 LYS HD3 H 1 1.695 0.030 . 1 . . . . 104 LYS HD3 . 10094 1 1241 . 1 1 104 104 LYS HE2 H 1 3.043 0.030 . 2 . . . . 104 LYS HE2 . 10094 1 1242 . 1 1 104 104 LYS C C 13 177.167 0.300 . 1 . . . . 104 LYS C . 10094 1 1243 . 1 1 104 104 LYS CA C 13 57.276 0.300 . 1 . . . . 104 LYS CA . 10094 1 1244 . 1 1 104 104 LYS CB C 13 32.802 0.300 . 1 . . . . 104 LYS CB . 10094 1 1245 . 1 1 104 104 LYS CG C 13 24.864 0.300 . 1 . . . . 104 LYS CG . 10094 1 1246 . 1 1 104 104 LYS CD C 13 29.280 0.300 . 1 . . . . 104 LYS CD . 10094 1 1247 . 1 1 104 104 LYS CE C 13 42.169 0.300 . 1 . . . . 104 LYS CE . 10094 1 1248 . 1 1 104 104 LYS N N 15 120.374 0.300 . 1 . . . . 104 LYS N . 10094 1 1249 . 1 1 105 105 LEU H H 1 8.013 0.030 . 1 . . . . 105 LEU H . 10094 1 1250 . 1 1 105 105 LEU HA H 1 4.370 0.030 . 1 . . . . 105 LEU HA . 10094 1 1251 . 1 1 105 105 LEU HB2 H 1 1.640 0.030 . 2 . . . . 105 LEU HB2 . 10094 1 1252 . 1 1 105 105 LEU HB3 H 1 1.744 0.030 . 2 . . . . 105 LEU HB3 . 10094 1 1253 . 1 1 105 105 LEU HG H 1 1.713 0.030 . 1 . . . . 105 LEU HG . 10094 1 1254 . 1 1 105 105 LEU HD11 H 1 0.946 0.030 . 1 . . . . 105 LEU HD1 . 10094 1 1255 . 1 1 105 105 LEU HD12 H 1 0.946 0.030 . 1 . . . . 105 LEU HD1 . 10094 1 1256 . 1 1 105 105 LEU HD13 H 1 0.946 0.030 . 1 . . . . 105 LEU HD1 . 10094 1 1257 . 1 1 105 105 LEU HD21 H 1 0.878 0.030 . 1 . . . . 105 LEU HD2 . 10094 1 1258 . 1 1 105 105 LEU HD22 H 1 0.878 0.030 . 1 . . . . 105 LEU HD2 . 10094 1 1259 . 1 1 105 105 LEU HD23 H 1 0.878 0.030 . 1 . . . . 105 LEU HD2 . 10094 1 1260 . 1 1 105 105 LEU C C 13 177.610 0.300 . 1 . . . . 105 LEU C . 10094 1 1261 . 1 1 105 105 LEU CA C 13 55.497 0.300 . 1 . . . . 105 LEU CA . 10094 1 1262 . 1 1 105 105 LEU CB C 13 42.321 0.300 . 1 . . . . 105 LEU CB . 10094 1 1263 . 1 1 105 105 LEU CG C 13 27.006 0.300 . 1 . . . . 105 LEU CG . 10094 1 1264 . 1 1 105 105 LEU CD1 C 13 25.125 0.300 . 2 . . . . 105 LEU CD1 . 10094 1 1265 . 1 1 105 105 LEU CD2 C 13 23.216 0.300 . 2 . . . . 105 LEU CD2 . 10094 1 1266 . 1 1 105 105 LEU N N 15 121.326 0.300 . 1 . . . . 105 LEU N . 10094 1 1267 . 1 1 106 106 SER H H 1 8.077 0.030 . 1 . . . . 106 SER H . 10094 1 1268 . 1 1 106 106 SER HA H 1 4.498 0.030 . 1 . . . . 106 SER HA . 10094 1 1269 . 1 1 106 106 SER HB2 H 1 3.911 0.030 . 1 . . . . 106 SER HB2 . 10094 1 1270 . 1 1 106 106 SER HB3 H 1 3.911 0.030 . 1 . . . . 106 SER HB3 . 10094 1 1271 . 1 1 106 106 SER C C 13 174.576 0.300 . 1 . . . . 106 SER C . 10094 1 1272 . 1 1 106 106 SER CA C 13 58.584 0.300 . 1 . . . . 106 SER CA . 10094 1 1273 . 1 1 106 106 SER CB C 13 64.126 0.300 . 1 . . . . 106 SER CB . 10094 1 1274 . 1 1 106 106 SER N N 15 115.508 0.300 . 1 . . . . 106 SER N . 10094 1 1275 . 1 1 107 107 GLY H H 1 8.140 0.030 . 1 . . . . 107 GLY H . 10094 1 1276 . 1 1 107 107 GLY HA2 H 1 4.172 0.030 . 2 . . . . 107 GLY HA2 . 10094 1 1277 . 1 1 107 107 GLY HA3 H 1 4.124 0.030 . 2 . . . . 107 GLY HA3 . 10094 1 1278 . 1 1 107 107 GLY C C 13 174.576 0.300 . 1 . . . . 107 GLY C . 10094 1 1279 . 1 1 107 107 GLY CA C 13 44.794 0.300 . 1 . . . . 107 GLY CA . 10094 1 1280 . 1 1 107 107 GLY N N 15 110.419 0.300 . 1 . . . . 107 GLY N . 10094 1 1281 . 1 1 108 108 PRO HA H 1 4.491 0.030 . 1 . . . . 108 PRO HA . 10094 1 1282 . 1 1 108 108 PRO HB2 H 1 2.304 0.030 . 2 . . . . 108 PRO HB2 . 10094 1 1283 . 1 1 108 108 PRO HB3 H 1 1.989 0.030 . 2 . . . . 108 PRO HB3 . 10094 1 1284 . 1 1 108 108 PRO HG2 H 1 2.025 0.030 . 1 . . . . 108 PRO HG2 . 10094 1 1285 . 1 1 108 108 PRO HG3 H 1 2.025 0.030 . 1 . . . . 108 PRO HG3 . 10094 1 1286 . 1 1 108 108 PRO HD2 H 1 3.657 0.030 . 1 . . . . 108 PRO HD2 . 10094 1 1287 . 1 1 108 108 PRO HD3 H 1 3.657 0.030 . 1 . . . . 108 PRO HD3 . 10094 1 1288 . 1 1 108 108 PRO C C 13 177.499 0.300 . 1 . . . . 108 PRO C . 10094 1 1289 . 1 1 108 108 PRO CA C 13 63.380 0.300 . 1 . . . . 108 PRO CA . 10094 1 1290 . 1 1 108 108 PRO CB C 13 32.265 0.300 . 1 . . . . 108 PRO CB . 10094 1 1291 . 1 1 108 108 PRO CG C 13 27.146 0.300 . 1 . . . . 108 PRO CG . 10094 1 1292 . 1 1 108 108 PRO CD C 13 49.836 0.300 . 1 . . . . 108 PRO CD . 10094 1 1293 . 1 1 109 109 SER H H 1 8.536 0.030 . 1 . . . . 109 SER H . 10094 1 1294 . 1 1 109 109 SER C C 13 177.499 0.300 . 1 . . . . 109 SER C . 10094 1 1295 . 1 1 109 109 SER CA C 13 58.463 0.300 . 1 . . . . 109 SER CA . 10094 1 1296 . 1 1 109 109 SER CB C 13 63.858 0.300 . 1 . . . . 109 SER CB . 10094 1 1297 . 1 1 109 109 SER N N 15 116.284 0.300 . 1 . . . . 109 SER N . 10094 1 1298 . 1 1 110 110 SER C C 13 177.499 0.300 . 1 . . . . 110 SER C . 10094 1 1299 . 1 1 111 111 GLY C C 13 177.499 0.300 . 1 . . . . 111 GLY C . 10094 1 stop_ save_