data_10058 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10058 _Entry.Title ; Solution Structure of the PICOT homology 2 domain of the mouse PKC-interacting cousin of thioredoxin protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-29 _Entry.Accession_date 2006-11-30 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _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 K. Miyamoto . . . 10058 2 T. Tomizawa . . . 10058 3 S. Koshiba . . . 10058 4 M. Inoue . . . 10058 5 T. Kigawa . . . 10058 6 S. Yokoyama . . . 10058 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' . 10058 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10058 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 10058 '15N chemical shifts' 101 10058 '1H chemical shifts' 724 10058 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 . . 2008-08-13 2006-11-29 original author . 10058 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WIK 'BMRB Entry Tracking System' 10058 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10058 _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 PICOT homology 2 domain of the mouse PKC-interacting cousin of thioredoxin protein ; _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 K. Miyamoto . . . 10058 1 2 T. Tomizawa . . . 10058 1 3 S. Koshiba . . . 10058 1 4 M. Inoue . . . 10058 1 5 T. Kigawa . . . 10058 1 6 S. Yokoyama . . . 10058 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10058 _Assembly.ID 1 _Assembly.Name 'Thioredoxin-like protein 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' 10058 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 'Thioredoxin-like protein 2' 1 $entity_1 . . yes native no no . . . 10058 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 1WIK . . . . . . 10058 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10058 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PICOT homology 2 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 ; GSSGSSGLKVLTNKASVMLF MKGNKQEAKCGFSKQILEIL NSTGVEYETFDILEDEEVRQ GLKTFSNWPTYPQLYVRGDL VGGLDIVKELKDNGELLPIL KGESGPSSG ; _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 109 _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 2014-05-12 loop_ _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 no PDB 1WIK . "Solution Structure Of The Picot Homology 2 Domain Of The Mouse Pkc-Interacting Cousin Of Thioredoxin Protein" . . . . . 100.00 109 100.00 100.00 1.16e-70 . . . . 10058 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PICOT homology 2 domain' . 10058 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 . 10058 1 2 . SER . 10058 1 3 . SER . 10058 1 4 . GLY . 10058 1 5 . SER . 10058 1 6 . SER . 10058 1 7 . GLY . 10058 1 8 . LEU . 10058 1 9 . LYS . 10058 1 10 . VAL . 10058 1 11 . LEU . 10058 1 12 . THR . 10058 1 13 . ASN . 10058 1 14 . LYS . 10058 1 15 . ALA . 10058 1 16 . SER . 10058 1 17 . VAL . 10058 1 18 . MET . 10058 1 19 . LEU . 10058 1 20 . PHE . 10058 1 21 . MET . 10058 1 22 . LYS . 10058 1 23 . GLY . 10058 1 24 . ASN . 10058 1 25 . LYS . 10058 1 26 . GLN . 10058 1 27 . GLU . 10058 1 28 . ALA . 10058 1 29 . LYS . 10058 1 30 . CYS . 10058 1 31 . GLY . 10058 1 32 . PHE . 10058 1 33 . SER . 10058 1 34 . LYS . 10058 1 35 . GLN . 10058 1 36 . ILE . 10058 1 37 . LEU . 10058 1 38 . GLU . 10058 1 39 . ILE . 10058 1 40 . LEU . 10058 1 41 . ASN . 10058 1 42 . SER . 10058 1 43 . THR . 10058 1 44 . GLY . 10058 1 45 . VAL . 10058 1 46 . GLU . 10058 1 47 . TYR . 10058 1 48 . GLU . 10058 1 49 . THR . 10058 1 50 . PHE . 10058 1 51 . ASP . 10058 1 52 . ILE . 10058 1 53 . LEU . 10058 1 54 . GLU . 10058 1 55 . ASP . 10058 1 56 . GLU . 10058 1 57 . GLU . 10058 1 58 . VAL . 10058 1 59 . ARG . 10058 1 60 . GLN . 10058 1 61 . GLY . 10058 1 62 . LEU . 10058 1 63 . LYS . 10058 1 64 . THR . 10058 1 65 . PHE . 10058 1 66 . SER . 10058 1 67 . ASN . 10058 1 68 . TRP . 10058 1 69 . PRO . 10058 1 70 . THR . 10058 1 71 . TYR . 10058 1 72 . PRO . 10058 1 73 . GLN . 10058 1 74 . LEU . 10058 1 75 . TYR . 10058 1 76 . VAL . 10058 1 77 . ARG . 10058 1 78 . GLY . 10058 1 79 . ASP . 10058 1 80 . LEU . 10058 1 81 . VAL . 10058 1 82 . GLY . 10058 1 83 . GLY . 10058 1 84 . LEU . 10058 1 85 . ASP . 10058 1 86 . ILE . 10058 1 87 . VAL . 10058 1 88 . LYS . 10058 1 89 . GLU . 10058 1 90 . LEU . 10058 1 91 . LYS . 10058 1 92 . ASP . 10058 1 93 . ASN . 10058 1 94 . GLY . 10058 1 95 . GLU . 10058 1 96 . LEU . 10058 1 97 . LEU . 10058 1 98 . PRO . 10058 1 99 . ILE . 10058 1 100 . LEU . 10058 1 101 . LYS . 10058 1 102 . GLY . 10058 1 103 . GLU . 10058 1 104 . SER . 10058 1 105 . GLY . 10058 1 106 . PRO . 10058 1 107 . SER . 10058 1 108 . SER . 10058 1 109 . GLY . 10058 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 10058 1 . SER 2 2 10058 1 . SER 3 3 10058 1 . GLY 4 4 10058 1 . SER 5 5 10058 1 . SER 6 6 10058 1 . GLY 7 7 10058 1 . LEU 8 8 10058 1 . LYS 9 9 10058 1 . VAL 10 10 10058 1 . LEU 11 11 10058 1 . THR 12 12 10058 1 . ASN 13 13 10058 1 . LYS 14 14 10058 1 . ALA 15 15 10058 1 . SER 16 16 10058 1 . VAL 17 17 10058 1 . MET 18 18 10058 1 . LEU 19 19 10058 1 . PHE 20 20 10058 1 . MET 21 21 10058 1 . LYS 22 22 10058 1 . GLY 23 23 10058 1 . ASN 24 24 10058 1 . LYS 25 25 10058 1 . GLN 26 26 10058 1 . GLU 27 27 10058 1 . ALA 28 28 10058 1 . LYS 29 29 10058 1 . CYS 30 30 10058 1 . GLY 31 31 10058 1 . PHE 32 32 10058 1 . SER 33 33 10058 1 . LYS 34 34 10058 1 . GLN 35 35 10058 1 . ILE 36 36 10058 1 . LEU 37 37 10058 1 . GLU 38 38 10058 1 . ILE 39 39 10058 1 . LEU 40 40 10058 1 . ASN 41 41 10058 1 . SER 42 42 10058 1 . THR 43 43 10058 1 . GLY 44 44 10058 1 . VAL 45 45 10058 1 . GLU 46 46 10058 1 . TYR 47 47 10058 1 . GLU 48 48 10058 1 . THR 49 49 10058 1 . PHE 50 50 10058 1 . ASP 51 51 10058 1 . ILE 52 52 10058 1 . LEU 53 53 10058 1 . GLU 54 54 10058 1 . ASP 55 55 10058 1 . GLU 56 56 10058 1 . GLU 57 57 10058 1 . VAL 58 58 10058 1 . ARG 59 59 10058 1 . GLN 60 60 10058 1 . GLY 61 61 10058 1 . LEU 62 62 10058 1 . LYS 63 63 10058 1 . THR 64 64 10058 1 . PHE 65 65 10058 1 . SER 66 66 10058 1 . ASN 67 67 10058 1 . TRP 68 68 10058 1 . PRO 69 69 10058 1 . THR 70 70 10058 1 . TYR 71 71 10058 1 . PRO 72 72 10058 1 . GLN 73 73 10058 1 . LEU 74 74 10058 1 . TYR 75 75 10058 1 . VAL 76 76 10058 1 . ARG 77 77 10058 1 . GLY 78 78 10058 1 . ASP 79 79 10058 1 . LEU 80 80 10058 1 . VAL 81 81 10058 1 . GLY 82 82 10058 1 . GLY 83 83 10058 1 . LEU 84 84 10058 1 . ASP 85 85 10058 1 . ILE 86 86 10058 1 . VAL 87 87 10058 1 . LYS 88 88 10058 1 . GLU 89 89 10058 1 . LEU 90 90 10058 1 . LYS 91 91 10058 1 . ASP 92 92 10058 1 . ASN 93 93 10058 1 . GLY 94 94 10058 1 . GLU 95 95 10058 1 . LEU 96 96 10058 1 . LEU 97 97 10058 1 . PRO 98 98 10058 1 . ILE 99 99 10058 1 . LEU 100 100 10058 1 . LYS 101 101 10058 1 . GLY 102 102 10058 1 . GLU 103 103 10058 1 . SER 104 104 10058 1 . GLY 105 105 10058 1 . PRO 106 106 10058 1 . SER 107 107 10058 1 . SER 108 108 10058 1 . GLY 109 109 10058 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 10058 _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 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10058 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 10058 _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 . . P030421-03 . . . . . . 10058 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10058 _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 'PICOT homology 2 domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.65 . . mM . . . . 10058 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10058 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10058 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10058 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10058 1 6 H2O . . . . . . solvent 90 . . % . . . . 10058 1 7 D2O . . . . . . solvent 10 . . % . . . . 10058 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 10058 _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 10058 1 pH 6.0 0.05 pH 10058 1 pressure 1 0.001 atm 10058 1 temperature 298 0.1 K 10058 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10058 _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 . . 10058 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10058 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10058 _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.' . . 10058 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10058 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10058 _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.' . . 10058 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10058 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10058 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8996 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10058 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10058 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10058 _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.' . . 10058 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10058 5 'structure solution' 10058 5 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 10058 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10058 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10058 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10058 1 stop_ 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 10058 _NMR_spec_expt.ID 1 _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_ 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 10058 _NMR_spec_expt.ID 2 _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_ #################### # 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 10058 _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 . . . . . . . . . 10058 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10058 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10058 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 10058 _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 13C-separated NOESY' 1 $sample_1 isotropic 10058 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10058 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 3.868 0.030 . 1 . . . . 7 GLY HA2 . 10058 1 2 . 1 1 7 7 GLY HA3 H 1 3.868 0.030 . 1 . . . . 7 GLY HA3 . 10058 1 3 . 1 1 7 7 GLY C C 13 176.125 0.300 . 1 . . . . 7 GLY C . 10058 1 4 . 1 1 7 7 GLY CA C 13 46.136 0.300 . 1 . . . . 7 GLY CA . 10058 1 5 . 1 1 8 8 LEU H H 1 7.819 0.030 . 1 . . . . 8 LEU H . 10058 1 6 . 1 1 8 8 LEU HA H 1 3.766 0.030 . 1 . . . . 8 LEU HA . 10058 1 7 . 1 1 8 8 LEU HB2 H 1 0.908 0.030 . 2 . . . . 8 LEU HB2 . 10058 1 8 . 1 1 8 8 LEU HB3 H 1 0.386 0.030 . 2 . . . . 8 LEU HB3 . 10058 1 9 . 1 1 8 8 LEU HG H 1 1.451 0.030 . 1 . . . . 8 LEU HG . 10058 1 10 . 1 1 8 8 LEU HD11 H 1 0.535 0.030 . 1 . . . . 8 LEU HD1 . 10058 1 11 . 1 1 8 8 LEU HD12 H 1 0.535 0.030 . 1 . . . . 8 LEU HD1 . 10058 1 12 . 1 1 8 8 LEU HD13 H 1 0.535 0.030 . 1 . . . . 8 LEU HD1 . 10058 1 13 . 1 1 8 8 LEU HD21 H 1 0.518 0.030 . 1 . . . . 8 LEU HD2 . 10058 1 14 . 1 1 8 8 LEU HD22 H 1 0.518 0.030 . 1 . . . . 8 LEU HD2 . 10058 1 15 . 1 1 8 8 LEU HD23 H 1 0.518 0.030 . 1 . . . . 8 LEU HD2 . 10058 1 16 . 1 1 8 8 LEU C C 13 178.445 0.300 . 1 . . . . 8 LEU C . 10058 1 17 . 1 1 8 8 LEU CA C 13 57.053 0.300 . 1 . . . . 8 LEU CA . 10058 1 18 . 1 1 8 8 LEU CB C 13 40.063 0.300 . 1 . . . . 8 LEU CB . 10058 1 19 . 1 1 8 8 LEU CG C 13 26.162 0.300 . 1 . . . . 8 LEU CG . 10058 1 20 . 1 1 8 8 LEU CD1 C 13 22.956 0.300 . 2 . . . . 8 LEU CD1 . 10058 1 21 . 1 1 8 8 LEU CD2 C 13 25.991 0.300 . 2 . . . . 8 LEU CD2 . 10058 1 22 . 1 1 8 8 LEU N N 15 121.291 0.300 . 1 . . . . 8 LEU N . 10058 1 23 . 1 1 9 9 LYS H H 1 7.921 0.030 . 1 . . . . 9 LYS H . 10058 1 24 . 1 1 9 9 LYS HA H 1 3.859 0.030 . 1 . . . . 9 LYS HA . 10058 1 25 . 1 1 9 9 LYS HB2 H 1 1.896 0.030 . 1 . . . . 9 LYS HB2 . 10058 1 26 . 1 1 9 9 LYS HB3 H 1 1.896 0.030 . 1 . . . . 9 LYS HB3 . 10058 1 27 . 1 1 9 9 LYS HG2 H 1 1.474 0.030 . 1 . . . . 9 LYS HG2 . 10058 1 28 . 1 1 9 9 LYS HG3 H 1 1.474 0.030 . 1 . . . . 9 LYS HG3 . 10058 1 29 . 1 1 9 9 LYS HD2 H 1 1.827 0.030 . 1 . . . . 9 LYS HD2 . 10058 1 30 . 1 1 9 9 LYS HD3 H 1 1.827 0.030 . 1 . . . . 9 LYS HD3 . 10058 1 31 . 1 1 9 9 LYS HE2 H 1 2.991 0.030 . 1 . . . . 9 LYS HE2 . 10058 1 32 . 1 1 9 9 LYS HE3 H 1 2.991 0.030 . 1 . . . . 9 LYS HE3 . 10058 1 33 . 1 1 9 9 LYS C C 13 178.437 0.300 . 1 . . . . 9 LYS C . 10058 1 34 . 1 1 9 9 LYS CA C 13 59.256 0.300 . 1 . . . . 9 LYS CA . 10058 1 35 . 1 1 9 9 LYS CB C 13 32.139 0.300 . 1 . . . . 9 LYS CB . 10058 1 36 . 1 1 9 9 LYS CG C 13 25.258 0.300 . 1 . . . . 9 LYS CG . 10058 1 37 . 1 1 9 9 LYS CD C 13 29.368 0.300 . 1 . . . . 9 LYS CD . 10058 1 38 . 1 1 9 9 LYS CE C 13 42.275 0.300 . 1 . . . . 9 LYS CE . 10058 1 39 . 1 1 9 9 LYS N N 15 120.986 0.300 . 1 . . . . 9 LYS N . 10058 1 40 . 1 1 10 10 VAL H H 1 7.359 0.030 . 1 . . . . 10 VAL H . 10058 1 41 . 1 1 10 10 VAL HA H 1 3.651 0.030 . 1 . . . . 10 VAL HA . 10058 1 42 . 1 1 10 10 VAL HB H 1 2.001 0.030 . 1 . . . . 10 VAL HB . 10058 1 43 . 1 1 10 10 VAL HG11 H 1 0.864 0.030 . 1 . . . . 10 VAL HG1 . 10058 1 44 . 1 1 10 10 VAL HG12 H 1 0.864 0.030 . 1 . . . . 10 VAL HG1 . 10058 1 45 . 1 1 10 10 VAL HG13 H 1 0.864 0.030 . 1 . . . . 10 VAL HG1 . 10058 1 46 . 1 1 10 10 VAL HG21 H 1 0.965 0.030 . 1 . . . . 10 VAL HG2 . 10058 1 47 . 1 1 10 10 VAL HG22 H 1 0.965 0.030 . 1 . . . . 10 VAL HG2 . 10058 1 48 . 1 1 10 10 VAL HG23 H 1 0.965 0.030 . 1 . . . . 10 VAL HG2 . 10058 1 49 . 1 1 10 10 VAL C C 13 178.949 0.300 . 1 . . . . 10 VAL C . 10058 1 50 . 1 1 10 10 VAL CA C 13 65.626 0.300 . 1 . . . . 10 VAL CA . 10058 1 51 . 1 1 10 10 VAL CB C 13 31.833 0.300 . 1 . . . . 10 VAL CB . 10058 1 52 . 1 1 10 10 VAL CG1 C 13 21.000 0.300 . 2 . . . . 10 VAL CG1 . 10058 1 53 . 1 1 10 10 VAL CG2 C 13 22.106 0.300 . 2 . . . . 10 VAL CG2 . 10058 1 54 . 1 1 10 10 VAL N N 15 117.938 0.300 . 1 . . . . 10 VAL N . 10058 1 55 . 1 1 11 11 LEU H H 1 7.519 0.030 . 1 . . . . 11 LEU H . 10058 1 56 . 1 1 11 11 LEU HA H 1 4.084 0.030 . 1 . . . . 11 LEU HA . 10058 1 57 . 1 1 11 11 LEU HB2 H 1 1.425 0.030 . 2 . . . . 11 LEU HB2 . 10058 1 58 . 1 1 11 11 LEU HB3 H 1 1.554 0.030 . 2 . . . . 11 LEU HB3 . 10058 1 59 . 1 1 11 11 LEU HG H 1 1.421 0.030 . 1 . . . . 11 LEU HG . 10058 1 60 . 1 1 11 11 LEU HD11 H 1 0.463 0.030 . 1 . . . . 11 LEU HD1 . 10058 1 61 . 1 1 11 11 LEU HD12 H 1 0.463 0.030 . 1 . . . . 11 LEU HD1 . 10058 1 62 . 1 1 11 11 LEU HD13 H 1 0.463 0.030 . 1 . . . . 11 LEU HD1 . 10058 1 63 . 1 1 11 11 LEU HD21 H 1 0.717 0.030 . 1 . . . . 11 LEU HD2 . 10058 1 64 . 1 1 11 11 LEU HD22 H 1 0.717 0.030 . 1 . . . . 11 LEU HD2 . 10058 1 65 . 1 1 11 11 LEU HD23 H 1 0.717 0.030 . 1 . . . . 11 LEU HD2 . 10058 1 66 . 1 1 11 11 LEU C C 13 178.890 0.300 . 1 . . . . 11 LEU C . 10058 1 67 . 1 1 11 11 LEU CA C 13 57.962 0.300 . 1 . . . . 11 LEU CA . 10058 1 68 . 1 1 11 11 LEU CB C 13 42.490 0.300 . 1 . . . . 11 LEU CB . 10058 1 69 . 1 1 11 11 LEU CG C 13 26.967 0.300 . 1 . . . . 11 LEU CG . 10058 1 70 . 1 1 11 11 LEU CD1 C 13 25.700 0.300 . 2 . . . . 11 LEU CD1 . 10058 1 71 . 1 1 11 11 LEU CD2 C 13 23.943 0.300 . 2 . . . . 11 LEU CD2 . 10058 1 72 . 1 1 11 11 LEU N N 15 120.529 0.300 . 1 . . . . 11 LEU N . 10058 1 73 . 1 1 12 12 THR H H 1 7.917 0.030 . 1 . . . . 12 THR H . 10058 1 74 . 1 1 12 12 THR HA H 1 3.704 0.030 . 1 . . . . 12 THR HA . 10058 1 75 . 1 1 12 12 THR HB H 1 3.659 0.030 . 1 . . . . 12 THR HB . 10058 1 76 . 1 1 12 12 THR HG21 H 1 0.425 0.030 . 1 . . . . 12 THR HG2 . 10058 1 77 . 1 1 12 12 THR HG22 H 1 0.425 0.030 . 1 . . . . 12 THR HG2 . 10058 1 78 . 1 1 12 12 THR HG23 H 1 0.425 0.030 . 1 . . . . 12 THR HG2 . 10058 1 79 . 1 1 12 12 THR C C 13 174.013 0.300 . 1 . . . . 12 THR C . 10058 1 80 . 1 1 12 12 THR CA C 13 64.682 0.300 . 1 . . . . 12 THR CA . 10058 1 81 . 1 1 12 12 THR CB C 13 69.507 0.300 . 1 . . . . 12 THR CB . 10058 1 82 . 1 1 12 12 THR CG2 C 13 22.709 0.300 . 1 . . . . 12 THR CG2 . 10058 1 83 . 1 1 12 12 THR N N 15 105.595 0.300 . 1 . . . . 12 THR N . 10058 1 84 . 1 1 13 13 ASN H H 1 7.140 0.030 . 1 . . . . 13 ASN H . 10058 1 85 . 1 1 13 13 ASN HA H 1 4.756 0.030 . 1 . . . . 13 ASN HA . 10058 1 86 . 1 1 13 13 ASN HB2 H 1 2.820 0.030 . 2 . . . . 13 ASN HB2 . 10058 1 87 . 1 1 13 13 ASN HB3 H 1 2.516 0.030 . 2 . . . . 13 ASN HB3 . 10058 1 88 . 1 1 13 13 ASN HD21 H 1 6.953 0.030 . 2 . . . . 13 ASN HD21 . 10058 1 89 . 1 1 13 13 ASN HD22 H 1 7.640 0.030 . 2 . . . . 13 ASN HD22 . 10058 1 90 . 1 1 13 13 ASN C C 13 175.343 0.300 . 1 . . . . 13 ASN C . 10058 1 91 . 1 1 13 13 ASN CA C 13 53.098 0.300 . 1 . . . . 13 ASN CA . 10058 1 92 . 1 1 13 13 ASN CB C 13 40.627 0.300 . 1 . . . . 13 ASN CB . 10058 1 93 . 1 1 13 13 ASN N N 15 116.262 0.300 . 1 . . . . 13 ASN N . 10058 1 94 . 1 1 13 13 ASN ND2 N 15 113.710 0.300 . 1 . . . . 13 ASN ND2 . 10058 1 95 . 1 1 14 14 LYS H H 1 7.488 0.030 . 1 . . . . 14 LYS H . 10058 1 96 . 1 1 14 14 LYS HA H 1 3.904 0.030 . 1 . . . . 14 LYS HA . 10058 1 97 . 1 1 14 14 LYS HB2 H 1 1.989 0.030 . 2 . . . . 14 LYS HB2 . 10058 1 98 . 1 1 14 14 LYS HB3 H 1 2.124 0.030 . 2 . . . . 14 LYS HB3 . 10058 1 99 . 1 1 14 14 LYS HG2 H 1 1.474 0.030 . 1 . . . . 14 LYS HG2 . 10058 1 100 . 1 1 14 14 LYS HG3 H 1 1.474 0.030 . 1 . . . . 14 LYS HG3 . 10058 1 101 . 1 1 14 14 LYS HD2 H 1 1.473 0.030 . 2 . . . . 14 LYS HD2 . 10058 1 102 . 1 1 14 14 LYS HD3 H 1 1.628 0.030 . 2 . . . . 14 LYS HD3 . 10058 1 103 . 1 1 14 14 LYS HE2 H 1 3.004 0.030 . 1 . . . . 14 LYS HE2 . 10058 1 104 . 1 1 14 14 LYS HE3 H 1 3.004 0.030 . 1 . . . . 14 LYS HE3 . 10058 1 105 . 1 1 14 14 LYS C C 13 175.226 0.300 . 1 . . . . 14 LYS C . 10058 1 106 . 1 1 14 14 LYS CA C 13 59.429 0.300 . 1 . . . . 14 LYS CA . 10058 1 107 . 1 1 14 14 LYS CB C 13 32.940 0.300 . 1 . . . . 14 LYS CB . 10058 1 108 . 1 1 14 14 LYS CG C 13 24.871 0.300 . 1 . . . . 14 LYS CG . 10058 1 109 . 1 1 14 14 LYS CD C 13 29.615 0.300 . 1 . . . . 14 LYS CD . 10058 1 110 . 1 1 14 14 LYS CE C 13 42.193 0.300 . 1 . . . . 14 LYS CE . 10058 1 111 . 1 1 14 14 LYS N N 15 122.053 0.300 . 1 . . . . 14 LYS N . 10058 1 112 . 1 1 15 15 ALA H H 1 7.170 0.030 . 1 . . . . 15 ALA H . 10058 1 113 . 1 1 15 15 ALA HA H 1 4.575 0.030 . 1 . . . . 15 ALA HA . 10058 1 114 . 1 1 15 15 ALA HB1 H 1 1.321 0.030 . 1 . . . . 15 ALA HB . 10058 1 115 . 1 1 15 15 ALA HB2 H 1 1.321 0.030 . 1 . . . . 15 ALA HB . 10058 1 116 . 1 1 15 15 ALA HB3 H 1 1.321 0.030 . 1 . . . . 15 ALA HB . 10058 1 117 . 1 1 15 15 ALA CA C 13 49.838 0.300 . 1 . . . . 15 ALA CA . 10058 1 118 . 1 1 15 15 ALA CB C 13 23.127 0.300 . 1 . . . . 15 ALA CB . 10058 1 119 . 1 1 15 15 ALA N N 15 117.078 0.300 . 1 . . . . 15 ALA N . 10058 1 120 . 1 1 16 16 SER H H 1 8.737 0.030 . 1 . . . . 16 SER H . 10058 1 121 . 1 1 16 16 SER HA H 1 4.785 0.030 . 1 . . . . 16 SER HA . 10058 1 122 . 1 1 16 16 SER HB2 H 1 4.035 0.030 . 1 . . . . 16 SER HB2 . 10058 1 123 . 1 1 16 16 SER HB3 H 1 4.035 0.030 . 1 . . . . 16 SER HB3 . 10058 1 124 . 1 1 16 16 SER C C 13 173.774 0.300 . 1 . . . . 16 SER C . 10058 1 125 . 1 1 16 16 SER CA C 13 63.023 0.300 . 1 . . . . 16 SER CA . 10058 1 126 . 1 1 16 16 SER CB C 13 63.093 0.300 . 1 . . . . 16 SER CB . 10058 1 127 . 1 1 16 16 SER N N 15 116.089 0.300 . 1 . . . . 16 SER N . 10058 1 128 . 1 1 17 17 VAL H H 1 7.905 0.030 . 1 . . . . 17 VAL H . 10058 1 129 . 1 1 17 17 VAL HA H 1 4.819 0.030 . 1 . . . . 17 VAL HA . 10058 1 130 . 1 1 17 17 VAL HB H 1 2.380 0.030 . 1 . . . . 17 VAL HB . 10058 1 131 . 1 1 17 17 VAL HG11 H 1 0.878 0.030 . 1 . . . . 17 VAL HG1 . 10058 1 132 . 1 1 17 17 VAL HG12 H 1 0.878 0.030 . 1 . . . . 17 VAL HG1 . 10058 1 133 . 1 1 17 17 VAL HG13 H 1 0.878 0.030 . 1 . . . . 17 VAL HG1 . 10058 1 134 . 1 1 17 17 VAL HG21 H 1 1.055 0.030 . 1 . . . . 17 VAL HG2 . 10058 1 135 . 1 1 17 17 VAL HG22 H 1 1.055 0.030 . 1 . . . . 17 VAL HG2 . 10058 1 136 . 1 1 17 17 VAL HG23 H 1 1.055 0.030 . 1 . . . . 17 VAL HG2 . 10058 1 137 . 1 1 17 17 VAL C C 13 174.014 0.300 . 1 . . . . 17 VAL C . 10058 1 138 . 1 1 17 17 VAL CA C 13 62.432 0.300 . 1 . . . . 17 VAL CA . 10058 1 139 . 1 1 17 17 VAL CB C 13 33.192 0.300 . 1 . . . . 17 VAL CB . 10058 1 140 . 1 1 17 17 VAL CG1 C 13 23.765 0.300 . 2 . . . . 17 VAL CG1 . 10058 1 141 . 1 1 17 17 VAL CG2 C 13 21.277 0.300 . 2 . . . . 17 VAL CG2 . 10058 1 142 . 1 1 17 17 VAL N N 15 119.920 0.300 . 1 . . . . 17 VAL N . 10058 1 143 . 1 1 18 18 MET H H 1 9.048 0.030 . 1 . . . . 18 MET H . 10058 1 144 . 1 1 18 18 MET HA H 1 5.262 0.030 . 1 . . . . 18 MET HA . 10058 1 145 . 1 1 18 18 MET HB2 H 1 1.798 0.030 . 2 . . . . 18 MET HB2 . 10058 1 146 . 1 1 18 18 MET HB3 H 1 1.962 0.030 . 2 . . . . 18 MET HB3 . 10058 1 147 . 1 1 18 18 MET HG2 H 1 2.392 0.030 . 2 . . . . 18 MET HG2 . 10058 1 148 . 1 1 18 18 MET HG3 H 1 2.171 0.030 . 2 . . . . 18 MET HG3 . 10058 1 149 . 1 1 18 18 MET HE1 H 1 1.653 0.030 . 1 . . . . 18 MET HE . 10058 1 150 . 1 1 18 18 MET HE2 H 1 1.653 0.030 . 1 . . . . 18 MET HE . 10058 1 151 . 1 1 18 18 MET HE3 H 1 1.653 0.030 . 1 . . . . 18 MET HE . 10058 1 152 . 1 1 18 18 MET C C 13 173.644 0.300 . 1 . . . . 18 MET C . 10058 1 153 . 1 1 18 18 MET CA C 13 53.187 0.300 . 1 . . . . 18 MET CA . 10058 1 154 . 1 1 18 18 MET CB C 13 36.206 0.300 . 1 . . . . 18 MET CB . 10058 1 155 . 1 1 18 18 MET CG C 13 32.657 0.300 . 1 . . . . 18 MET CG . 10058 1 156 . 1 1 18 18 MET CE C 13 16.724 0.300 . 1 . . . . 18 MET CE . 10058 1 157 . 1 1 18 18 MET N N 15 126.320 0.300 . 1 . . . . 18 MET N . 10058 1 158 . 1 1 19 19 LEU H H 1 9.054 0.030 . 1 . . . . 19 LEU H . 10058 1 159 . 1 1 19 19 LEU HA H 1 5.320 0.030 . 1 . . . . 19 LEU HA . 10058 1 160 . 1 1 19 19 LEU HB2 H 1 2.037 0.030 . 2 . . . . 19 LEU HB2 . 10058 1 161 . 1 1 19 19 LEU HB3 H 1 1.052 0.030 . 2 . . . . 19 LEU HB3 . 10058 1 162 . 1 1 19 19 LEU HG H 1 0.917 0.030 . 1 . . . . 19 LEU HG . 10058 1 163 . 1 1 19 19 LEU HD11 H 1 0.937 0.030 . 1 . . . . 19 LEU HD1 . 10058 1 164 . 1 1 19 19 LEU HD12 H 1 0.937 0.030 . 1 . . . . 19 LEU HD1 . 10058 1 165 . 1 1 19 19 LEU HD13 H 1 0.937 0.030 . 1 . . . . 19 LEU HD1 . 10058 1 166 . 1 1 19 19 LEU HD21 H 1 0.843 0.030 . 1 . . . . 19 LEU HD2 . 10058 1 167 . 1 1 19 19 LEU HD22 H 1 0.843 0.030 . 1 . . . . 19 LEU HD2 . 10058 1 168 . 1 1 19 19 LEU HD23 H 1 0.843 0.030 . 1 . . . . 19 LEU HD2 . 10058 1 169 . 1 1 19 19 LEU C C 13 174.294 0.300 . 1 . . . . 19 LEU C . 10058 1 170 . 1 1 19 19 LEU CA C 13 53.202 0.300 . 1 . . . . 19 LEU CA . 10058 1 171 . 1 1 19 19 LEU CB C 13 44.832 0.300 . 1 . . . . 19 LEU CB . 10058 1 172 . 1 1 19 19 LEU CG C 13 27.812 0.300 . 1 . . . . 19 LEU CG . 10058 1 173 . 1 1 19 19 LEU CD1 C 13 24.332 0.300 . 2 . . . . 19 LEU CD1 . 10058 1 174 . 1 1 19 19 LEU CD2 C 13 24.318 0.300 . 2 . . . . 19 LEU CD2 . 10058 1 175 . 1 1 19 19 LEU N N 15 127.094 0.300 . 1 . . . . 19 LEU N . 10058 1 176 . 1 1 20 20 PHE H H 1 9.469 0.030 . 1 . . . . 20 PHE H . 10058 1 177 . 1 1 20 20 PHE HA H 1 5.294 0.030 . 1 . . . . 20 PHE HA . 10058 1 178 . 1 1 20 20 PHE HB2 H 1 3.432 0.030 . 2 . . . . 20 PHE HB2 . 10058 1 179 . 1 1 20 20 PHE HB3 H 1 3.024 0.030 . 2 . . . . 20 PHE HB3 . 10058 1 180 . 1 1 20 20 PHE HD1 H 1 7.204 0.030 . 1 . . . . 20 PHE HD1 . 10058 1 181 . 1 1 20 20 PHE HD2 H 1 7.204 0.030 . 1 . . . . 20 PHE HD2 . 10058 1 182 . 1 1 20 20 PHE HE1 H 1 6.398 0.030 . 1 . . . . 20 PHE HE1 . 10058 1 183 . 1 1 20 20 PHE HE2 H 1 6.398 0.030 . 1 . . . . 20 PHE HE2 . 10058 1 184 . 1 1 20 20 PHE HZ H 1 6.411 0.030 . 1 . . . . 20 PHE HZ . 10058 1 185 . 1 1 20 20 PHE C C 13 175.161 0.300 . 1 . . . . 20 PHE C . 10058 1 186 . 1 1 20 20 PHE CA C 13 58.119 0.300 . 1 . . . . 20 PHE CA . 10058 1 187 . 1 1 20 20 PHE CB C 13 39.777 0.300 . 1 . . . . 20 PHE CB . 10058 1 188 . 1 1 20 20 PHE CD1 C 13 132.140 0.300 . 1 . . . . 20 PHE CD1 . 10058 1 189 . 1 1 20 20 PHE CD2 C 13 132.140 0.300 . 1 . . . . 20 PHE CD2 . 10058 1 190 . 1 1 20 20 PHE CE1 C 13 130.481 0.300 . 1 . . . . 20 PHE CE1 . 10058 1 191 . 1 1 20 20 PHE CE2 C 13 130.481 0.300 . 1 . . . . 20 PHE CE2 . 10058 1 192 . 1 1 20 20 PHE CZ C 13 128.726 0.300 . 1 . . . . 20 PHE CZ . 10058 1 193 . 1 1 20 20 PHE N N 15 127.281 0.300 . 1 . . . . 20 PHE N . 10058 1 194 . 1 1 21 21 MET H H 1 9.331 0.030 . 1 . . . . 21 MET H . 10058 1 195 . 1 1 21 21 MET HA H 1 5.072 0.030 . 1 . . . . 21 MET HA . 10058 1 196 . 1 1 21 21 MET HB2 H 1 1.762 0.030 . 2 . . . . 21 MET HB2 . 10058 1 197 . 1 1 21 21 MET HB3 H 1 2.084 0.030 . 2 . . . . 21 MET HB3 . 10058 1 198 . 1 1 21 21 MET HG2 H 1 2.212 0.030 . 2 . . . . 21 MET HG2 . 10058 1 199 . 1 1 21 21 MET HG3 H 1 2.270 0.030 . 2 . . . . 21 MET HG3 . 10058 1 200 . 1 1 21 21 MET HE1 H 1 1.867 0.030 . 1 . . . . 21 MET HE . 10058 1 201 . 1 1 21 21 MET HE2 H 1 1.867 0.030 . 1 . . . . 21 MET HE . 10058 1 202 . 1 1 21 21 MET HE3 H 1 1.867 0.030 . 1 . . . . 21 MET HE . 10058 1 203 . 1 1 21 21 MET C C 13 171.866 0.300 . 1 . . . . 21 MET C . 10058 1 204 . 1 1 21 21 MET CA C 13 54.043 0.300 . 1 . . . . 21 MET CA . 10058 1 205 . 1 1 21 21 MET CB C 13 36.759 0.300 . 1 . . . . 21 MET CB . 10058 1 206 . 1 1 21 21 MET CG C 13 29.451 0.300 . 1 . . . . 21 MET CG . 10058 1 207 . 1 1 21 21 MET CE C 13 17.633 0.300 . 1 . . . . 21 MET CE . 10058 1 208 . 1 1 21 21 MET N N 15 120.681 0.300 . 1 . . . . 21 MET N . 10058 1 209 . 1 1 22 22 LYS H H 1 8.032 0.030 . 1 . . . . 22 LYS H . 10058 1 210 . 1 1 22 22 LYS HA H 1 4.564 0.030 . 1 . . . . 22 LYS HA . 10058 1 211 . 1 1 22 22 LYS HB2 H 1 1.509 0.030 . 2 . . . . 22 LYS HB2 . 10058 1 212 . 1 1 22 22 LYS HB3 H 1 2.006 0.030 . 2 . . . . 22 LYS HB3 . 10058 1 213 . 1 1 22 22 LYS HG2 H 1 1.454 0.030 . 1 . . . . 22 LYS HG2 . 10058 1 214 . 1 1 22 22 LYS HG3 H 1 1.454 0.030 . 1 . . . . 22 LYS HG3 . 10058 1 215 . 1 1 22 22 LYS HE2 H 1 2.942 0.030 . 1 . . . . 22 LYS HE2 . 10058 1 216 . 1 1 22 22 LYS HE3 H 1 2.942 0.030 . 1 . . . . 22 LYS HE3 . 10058 1 217 . 1 1 22 22 LYS C C 13 175.342 0.300 . 1 . . . . 22 LYS C . 10058 1 218 . 1 1 22 22 LYS CA C 13 56.639 0.300 . 1 . . . . 22 LYS CA . 10058 1 219 . 1 1 22 22 LYS CB C 13 32.320 0.300 . 1 . . . . 22 LYS CB . 10058 1 220 . 1 1 22 22 LYS CD C 13 29.368 0.300 . 1 . . . . 22 LYS CD . 10058 1 221 . 1 1 22 22 LYS CE C 13 42.851 0.300 . 1 . . . . 22 LYS CE . 10058 1 222 . 1 1 22 22 LYS N N 15 117.481 0.300 . 1 . . . . 22 LYS N . 10058 1 223 . 1 1 23 23 GLY H H 1 8.961 0.030 . 1 . . . . 23 GLY H . 10058 1 224 . 1 1 23 23 GLY HA2 H 1 4.685 0.030 . 2 . . . . 23 GLY HA2 . 10058 1 225 . 1 1 23 23 GLY HA3 H 1 3.655 0.030 . 2 . . . . 23 GLY HA3 . 10058 1 226 . 1 1 23 23 GLY C C 13 171.105 0.300 . 1 . . . . 23 GLY C . 10058 1 227 . 1 1 23 23 GLY CA C 13 44.556 0.300 . 1 . . . . 23 GLY CA . 10058 1 228 . 1 1 23 23 GLY N N 15 117.786 0.300 . 1 . . . . 23 GLY N . 10058 1 229 . 1 1 24 24 ASN H H 1 7.982 0.030 . 1 . . . . 24 ASN H . 10058 1 230 . 1 1 24 24 ASN HA H 1 4.956 0.030 . 1 . . . . 24 ASN HA . 10058 1 231 . 1 1 24 24 ASN HB2 H 1 3.077 0.030 . 2 . . . . 24 ASN HB2 . 10058 1 232 . 1 1 24 24 ASN HB3 H 1 2.729 0.030 . 2 . . . . 24 ASN HB3 . 10058 1 233 . 1 1 24 24 ASN HD21 H 1 6.985 0.030 . 2 . . . . 24 ASN HD21 . 10058 1 234 . 1 1 24 24 ASN HD22 H 1 7.901 0.030 . 2 . . . . 24 ASN HD22 . 10058 1 235 . 1 1 24 24 ASN C C 13 174.294 0.300 . 1 . . . . 24 ASN C . 10058 1 236 . 1 1 24 24 ASN CA C 13 52.108 0.300 . 1 . . . . 24 ASN CA . 10058 1 237 . 1 1 24 24 ASN CB C 13 40.367 0.300 . 1 . . . . 24 ASN CB . 10058 1 238 . 1 1 24 24 ASN N N 15 117.024 0.300 . 1 . . . . 24 ASN N . 10058 1 239 . 1 1 24 24 ASN ND2 N 15 115.818 0.300 . 1 . . . . 24 ASN ND2 . 10058 1 240 . 1 1 25 25 LYS H H 1 7.954 0.030 . 1 . . . . 25 LYS H . 10058 1 241 . 1 1 25 25 LYS HA H 1 3.918 0.030 . 1 . . . . 25 LYS HA . 10058 1 242 . 1 1 25 25 LYS HB2 H 1 1.723 0.030 . 2 . . . . 25 LYS HB2 . 10058 1 243 . 1 1 25 25 LYS HB3 H 1 1.773 0.030 . 2 . . . . 25 LYS HB3 . 10058 1 244 . 1 1 25 25 LYS HG2 H 1 1.377 0.030 . 2 . . . . 25 LYS HG2 . 10058 1 245 . 1 1 25 25 LYS HG3 H 1 1.572 0.030 . 2 . . . . 25 LYS HG3 . 10058 1 246 . 1 1 25 25 LYS HD2 H 1 1.513 0.030 . 1 . . . . 25 LYS HD2 . 10058 1 247 . 1 1 25 25 LYS HD3 H 1 1.513 0.030 . 1 . . . . 25 LYS HD3 . 10058 1 248 . 1 1 25 25 LYS HE2 H 1 2.580 0.030 . 2 . . . . 25 LYS HE2 . 10058 1 249 . 1 1 25 25 LYS HE3 H 1 2.268 0.030 . 2 . . . . 25 LYS HE3 . 10058 1 250 . 1 1 25 25 LYS C C 13 177.992 0.300 . 1 . . . . 25 LYS C . 10058 1 251 . 1 1 25 25 LYS CA C 13 59.944 0.300 . 1 . . . . 25 LYS CA . 10058 1 252 . 1 1 25 25 LYS CB C 13 33.441 0.300 . 1 . . . . 25 LYS CB . 10058 1 253 . 1 1 25 25 LYS CG C 13 26.491 0.300 . 1 . . . . 25 LYS CG . 10058 1 254 . 1 1 25 25 LYS CD C 13 30.026 0.300 . 1 . . . . 25 LYS CD . 10058 1 255 . 1 1 25 25 LYS CE C 13 42.029 0.300 . 1 . . . . 25 LYS CE . 10058 1 256 . 1 1 25 25 LYS N N 15 113.519 0.300 . 1 . . . . 25 LYS N . 10058 1 257 . 1 1 26 26 GLN H H 1 8.060 0.030 . 1 . . . . 26 GLN H . 10058 1 258 . 1 1 26 26 GLN HA H 1 4.228 0.030 . 1 . . . . 26 GLN HA . 10058 1 259 . 1 1 26 26 GLN HB2 H 1 2.056 0.030 . 2 . . . . 26 GLN HB2 . 10058 1 260 . 1 1 26 26 GLN HB3 H 1 2.114 0.030 . 2 . . . . 26 GLN HB3 . 10058 1 261 . 1 1 26 26 GLN HG2 H 1 2.298 0.030 . 2 . . . . 26 GLN HG2 . 10058 1 262 . 1 1 26 26 GLN HG3 H 1 2.350 0.030 . 2 . . . . 26 GLN HG3 . 10058 1 263 . 1 1 26 26 GLN HE21 H 1 7.507 0.030 . 2 . . . . 26 GLN HE21 . 10058 1 264 . 1 1 26 26 GLN HE22 H 1 6.787 0.030 . 2 . . . . 26 GLN HE22 . 10058 1 265 . 1 1 26 26 GLN C C 13 176.115 0.300 . 1 . . . . 26 GLN C . 10058 1 266 . 1 1 26 26 GLN CA C 13 57.158 0.300 . 1 . . . . 26 GLN CA . 10058 1 267 . 1 1 26 26 GLN CB C 13 29.177 0.300 . 1 . . . . 26 GLN CB . 10058 1 268 . 1 1 26 26 GLN CG C 13 34.824 0.300 . 1 . . . . 26 GLN CG . 10058 1 269 . 1 1 26 26 GLN N N 15 115.043 0.300 . 1 . . . . 26 GLN N . 10058 1 270 . 1 1 26 26 GLN NE2 N 15 112.070 0.300 . 1 . . . . 26 GLN NE2 . 10058 1 271 . 1 1 27 27 GLU H H 1 7.663 0.030 . 1 . . . . 27 GLU H . 10058 1 272 . 1 1 27 27 GLU HA H 1 4.266 0.030 . 1 . . . . 27 GLU HA . 10058 1 273 . 1 1 27 27 GLU HB2 H 1 1.842 0.030 . 1 . . . . 27 GLU HB2 . 10058 1 274 . 1 1 27 27 GLU HB3 H 1 1.842 0.030 . 1 . . . . 27 GLU HB3 . 10058 1 275 . 1 1 27 27 GLU HG2 H 1 1.891 0.030 . 2 . . . . 27 GLU HG2 . 10058 1 276 . 1 1 27 27 GLU HG3 H 1 2.114 0.030 . 2 . . . . 27 GLU HG3 . 10058 1 277 . 1 1 27 27 GLU C C 13 174.047 0.300 . 1 . . . . 27 GLU C . 10058 1 278 . 1 1 27 27 GLU CA C 13 56.160 0.300 . 1 . . . . 27 GLU CA . 10058 1 279 . 1 1 27 27 GLU CB C 13 30.676 0.300 . 1 . . . . 27 GLU CB . 10058 1 280 . 1 1 27 27 GLU CG C 13 36.027 0.300 . 1 . . . . 27 GLU CG . 10058 1 281 . 1 1 27 27 GLU N N 15 121.748 0.300 . 1 . . . . 27 GLU N . 10058 1 282 . 1 1 28 28 ALA H H 1 8.910 0.030 . 1 . . . . 28 ALA H . 10058 1 283 . 1 1 28 28 ALA HA H 1 4.601 0.030 . 1 . . . . 28 ALA HA . 10058 1 284 . 1 1 28 28 ALA HB1 H 1 1.363 0.030 . 1 . . . . 28 ALA HB . 10058 1 285 . 1 1 28 28 ALA HB2 H 1 1.363 0.030 . 1 . . . . 28 ALA HB . 10058 1 286 . 1 1 28 28 ALA HB3 H 1 1.363 0.030 . 1 . . . . 28 ALA HB . 10058 1 287 . 1 1 28 28 ALA C C 13 178.777 0.300 . 1 . . . . 28 ALA C . 10058 1 288 . 1 1 28 28 ALA CA C 13 49.730 0.300 . 1 . . . . 28 ALA CA . 10058 1 289 . 1 1 28 28 ALA CB C 13 19.433 0.300 . 1 . . . . 28 ALA CB . 10058 1 290 . 1 1 28 28 ALA N N 15 131.195 0.300 . 1 . . . . 28 ALA N . 10058 1 291 . 1 1 29 29 LYS H H 1 8.556 0.030 . 1 . . . . 29 LYS H . 10058 1 292 . 1 1 29 29 LYS HA H 1 4.497 0.030 . 1 . . . . 29 LYS HA . 10058 1 293 . 1 1 29 29 LYS HB2 H 1 2.165 0.030 . 2 . . . . 29 LYS HB2 . 10058 1 294 . 1 1 29 29 LYS HB3 H 1 1.026 0.030 . 2 . . . . 29 LYS HB3 . 10058 1 295 . 1 1 29 29 LYS HG2 H 1 1.230 0.030 . 2 . . . . 29 LYS HG2 . 10058 1 296 . 1 1 29 29 LYS HG3 H 1 1.394 0.030 . 2 . . . . 29 LYS HG3 . 10058 1 297 . 1 1 29 29 LYS HD2 H 1 1.478 0.030 . 2 . . . . 29 LYS HD2 . 10058 1 298 . 1 1 29 29 LYS HD3 H 1 1.624 0.030 . 2 . . . . 29 LYS HD3 . 10058 1 299 . 1 1 29 29 LYS HE2 H 1 2.842 0.030 . 1 . . . . 29 LYS HE2 . 10058 1 300 . 1 1 29 29 LYS HE3 H 1 2.842 0.030 . 1 . . . . 29 LYS HE3 . 10058 1 301 . 1 1 29 29 LYS C C 13 175.245 0.300 . 1 . . . . 29 LYS C . 10058 1 302 . 1 1 29 29 LYS CA C 13 56.146 0.300 . 1 . . . . 29 LYS CA . 10058 1 303 . 1 1 29 29 LYS CB C 13 33.202 0.300 . 1 . . . . 29 LYS CB . 10058 1 304 . 1 1 29 29 LYS CG C 13 25.795 0.300 . 1 . . . . 29 LYS CG . 10058 1 305 . 1 1 29 29 LYS CD C 13 29.615 0.300 . 1 . . . . 29 LYS CD . 10058 1 306 . 1 1 29 29 LYS CE C 13 42.111 0.300 . 1 . . . . 29 LYS CE . 10058 1 307 . 1 1 29 29 LYS N N 15 120.224 0.300 . 1 . . . . 29 LYS N . 10058 1 308 . 1 1 30 30 CYS H H 1 7.463 0.030 . 1 . . . . 30 CYS H . 10058 1 309 . 1 1 30 30 CYS HA H 1 4.773 0.030 . 1 . . . . 30 CYS HA . 10058 1 310 . 1 1 30 30 CYS HB2 H 1 3.427 0.030 . 2 . . . . 30 CYS HB2 . 10058 1 311 . 1 1 30 30 CYS HB3 H 1 2.956 0.030 . 2 . . . . 30 CYS HB3 . 10058 1 312 . 1 1 30 30 CYS C C 13 176.634 0.300 . 1 . . . . 30 CYS C . 10058 1 313 . 1 1 30 30 CYS CA C 13 59.009 0.300 . 1 . . . . 30 CYS CA . 10058 1 314 . 1 1 30 30 CYS CB C 13 33.166 0.300 . 1 . . . . 30 CYS CB . 10058 1 315 . 1 1 30 30 CYS N N 15 116.415 0.300 . 1 . . . . 30 CYS N . 10058 1 316 . 1 1 31 31 GLY HA2 H 1 3.923 0.030 . 1 . . . . 31 GLY HA2 . 10058 1 317 . 1 1 31 31 GLY HA3 H 1 3.923 0.030 . 1 . . . . 31 GLY HA3 . 10058 1 318 . 1 1 31 31 GLY CA C 13 47.264 0.300 . 1 . . . . 31 GLY CA . 10058 1 319 . 1 1 32 32 PHE HA H 1 4.669 0.030 . 1 . . . . 32 PHE HA . 10058 1 320 . 1 1 32 32 PHE HB2 H 1 3.467 0.030 . 2 . . . . 32 PHE HB2 . 10058 1 321 . 1 1 32 32 PHE HB3 H 1 3.167 0.030 . 2 . . . . 32 PHE HB3 . 10058 1 322 . 1 1 32 32 PHE HD1 H 1 7.467 0.030 . 1 . . . . 32 PHE HD1 . 10058 1 323 . 1 1 32 32 PHE HD2 H 1 7.467 0.030 . 1 . . . . 32 PHE HD2 . 10058 1 324 . 1 1 32 32 PHE HE1 H 1 7.504 0.030 . 1 . . . . 32 PHE HE1 . 10058 1 325 . 1 1 32 32 PHE HE2 H 1 7.504 0.030 . 1 . . . . 32 PHE HE2 . 10058 1 326 . 1 1 32 32 PHE HZ H 1 7.407 0.030 . 1 . . . . 32 PHE HZ . 10058 1 327 . 1 1 32 32 PHE CA C 13 59.809 0.300 . 1 . . . . 32 PHE CA . 10058 1 328 . 1 1 32 32 PHE CB C 13 38.281 0.300 . 1 . . . . 32 PHE CB . 10058 1 329 . 1 1 32 32 PHE CD1 C 13 131.285 0.300 . 1 . . . . 32 PHE CD1 . 10058 1 330 . 1 1 32 32 PHE CD2 C 13 131.285 0.300 . 1 . . . . 32 PHE CD2 . 10058 1 331 . 1 1 32 32 PHE CE1 C 13 131.980 0.300 . 1 . . . . 32 PHE CE1 . 10058 1 332 . 1 1 32 32 PHE CE2 C 13 131.980 0.300 . 1 . . . . 32 PHE CE2 . 10058 1 333 . 1 1 32 32 PHE CZ C 13 130.354 0.300 . 1 . . . . 32 PHE CZ . 10058 1 334 . 1 1 33 33 SER H H 1 9.940 0.030 . 1 . . . . 33 SER H . 10058 1 335 . 1 1 33 33 SER HA H 1 4.189 0.030 . 1 . . . . 33 SER HA . 10058 1 336 . 1 1 33 33 SER HB2 H 1 3.938 0.030 . 1 . . . . 33 SER HB2 . 10058 1 337 . 1 1 33 33 SER HB3 H 1 3.938 0.030 . 1 . . . . 33 SER HB3 . 10058 1 338 . 1 1 33 33 SER C C 13 174.882 0.300 . 1 . . . . 33 SER C . 10058 1 339 . 1 1 33 33 SER CA C 13 63.576 0.300 . 1 . . . . 33 SER CA . 10058 1 340 . 1 1 33 33 SER CB C 13 62.747 0.300 . 1 . . . . 33 SER CB . 10058 1 341 . 1 1 33 33 SER N N 15 123.203 0.300 . 1 . . . . 33 SER N . 10058 1 342 . 1 1 34 34 LYS H H 1 8.261 0.030 . 1 . . . . 34 LYS H . 10058 1 343 . 1 1 34 34 LYS HA H 1 3.791 0.030 . 1 . . . . 34 LYS HA . 10058 1 344 . 1 1 34 34 LYS HB2 H 1 1.864 0.030 . 2 . . . . 34 LYS HB2 . 10058 1 345 . 1 1 34 34 LYS HB3 H 1 2.056 0.030 . 2 . . . . 34 LYS HB3 . 10058 1 346 . 1 1 34 34 LYS HG2 H 1 1.472 0.030 . 1 . . . . 34 LYS HG2 . 10058 1 347 . 1 1 34 34 LYS HG3 H 1 1.472 0.030 . 1 . . . . 34 LYS HG3 . 10058 1 348 . 1 1 34 34 LYS HD2 H 1 1.493 0.030 . 2 . . . . 34 LYS HD2 . 10058 1 349 . 1 1 34 34 LYS HD3 H 1 1.726 0.030 . 2 . . . . 34 LYS HD3 . 10058 1 350 . 1 1 34 34 LYS HE2 H 1 2.966 0.030 . 1 . . . . 34 LYS HE2 . 10058 1 351 . 1 1 34 34 LYS HE3 H 1 2.966 0.030 . 1 . . . . 34 LYS HE3 . 10058 1 352 . 1 1 34 34 LYS C C 13 178.361 0.300 . 1 . . . . 34 LYS C . 10058 1 353 . 1 1 34 34 LYS CA C 13 59.962 0.300 . 1 . . . . 34 LYS CA . 10058 1 354 . 1 1 34 34 LYS CB C 13 32.879 0.300 . 1 . . . . 34 LYS CB . 10058 1 355 . 1 1 34 34 LYS CG C 13 25.093 0.300 . 1 . . . . 34 LYS CG . 10058 1 356 . 1 1 34 34 LYS CD C 13 29.104 0.300 . 1 . . . . 34 LYS CD . 10058 1 357 . 1 1 34 34 LYS CE C 13 42.193 0.300 . 1 . . . . 34 LYS CE . 10058 1 358 . 1 1 34 34 LYS N N 15 121.596 0.300 . 1 . . . . 34 LYS N . 10058 1 359 . 1 1 35 35 GLN H H 1 7.774 0.030 . 1 . . . . 35 GLN H . 10058 1 360 . 1 1 35 35 GLN HA H 1 4.135 0.030 . 1 . . . . 35 GLN HA . 10058 1 361 . 1 1 35 35 GLN HB2 H 1 2.125 0.030 . 2 . . . . 35 GLN HB2 . 10058 1 362 . 1 1 35 35 GLN HB3 H 1 2.262 0.030 . 2 . . . . 35 GLN HB3 . 10058 1 363 . 1 1 35 35 GLN HG2 H 1 2.333 0.030 . 2 . . . . 35 GLN HG2 . 10058 1 364 . 1 1 35 35 GLN HG3 H 1 2.681 0.030 . 2 . . . . 35 GLN HG3 . 10058 1 365 . 1 1 35 35 GLN HE21 H 1 6.989 0.030 . 2 . . . . 35 GLN HE21 . 10058 1 366 . 1 1 35 35 GLN HE22 H 1 7.153 0.030 . 2 . . . . 35 GLN HE22 . 10058 1 367 . 1 1 35 35 GLN C C 13 179.131 0.300 . 1 . . . . 35 GLN C . 10058 1 368 . 1 1 35 35 GLN CA C 13 59.298 0.300 . 1 . . . . 35 GLN CA . 10058 1 369 . 1 1 35 35 GLN CB C 13 30.055 0.300 . 1 . . . . 35 GLN CB . 10058 1 370 . 1 1 35 35 GLN CG C 13 35.123 0.300 . 1 . . . . 35 GLN CG . 10058 1 371 . 1 1 35 35 GLN N N 15 116.415 0.300 . 1 . . . . 35 GLN N . 10058 1 372 . 1 1 35 35 GLN NE2 N 15 111.297 0.300 . 1 . . . . 35 GLN NE2 . 10058 1 373 . 1 1 36 36 ILE H H 1 8.179 0.030 . 1 . . . . 36 ILE H . 10058 1 374 . 1 1 36 36 ILE HA H 1 3.899 0.030 . 1 . . . . 36 ILE HA . 10058 1 375 . 1 1 36 36 ILE HB H 1 1.847 0.030 . 1 . . . . 36 ILE HB . 10058 1 376 . 1 1 36 36 ILE HG12 H 1 1.219 0.030 . 2 . . . . 36 ILE HG12 . 10058 1 377 . 1 1 36 36 ILE HG13 H 1 1.568 0.030 . 2 . . . . 36 ILE HG13 . 10058 1 378 . 1 1 36 36 ILE HG21 H 1 1.206 0.030 . 1 . . . . 36 ILE HG2 . 10058 1 379 . 1 1 36 36 ILE HG22 H 1 1.206 0.030 . 1 . . . . 36 ILE HG2 . 10058 1 380 . 1 1 36 36 ILE HG23 H 1 1.206 0.030 . 1 . . . . 36 ILE HG2 . 10058 1 381 . 1 1 36 36 ILE HD11 H 1 0.681 0.030 . 1 . . . . 36 ILE HD1 . 10058 1 382 . 1 1 36 36 ILE HD12 H 1 0.681 0.030 . 1 . . . . 36 ILE HD1 . 10058 1 383 . 1 1 36 36 ILE HD13 H 1 0.681 0.030 . 1 . . . . 36 ILE HD1 . 10058 1 384 . 1 1 36 36 ILE C C 13 176.434 0.300 . 1 . . . . 36 ILE C . 10058 1 385 . 1 1 36 36 ILE CA C 13 65.755 0.300 . 1 . . . . 36 ILE CA . 10058 1 386 . 1 1 36 36 ILE CB C 13 38.143 0.300 . 1 . . . . 36 ILE CB . 10058 1 387 . 1 1 36 36 ILE CG1 C 13 31.177 0.300 . 1 . . . . 36 ILE CG1 . 10058 1 388 . 1 1 36 36 ILE CG2 C 13 18.599 0.300 . 1 . . . . 36 ILE CG2 . 10058 1 389 . 1 1 36 36 ILE CD1 C 13 13.535 0.300 . 1 . . . . 36 ILE CD1 . 10058 1 390 . 1 1 36 36 ILE N N 15 119.005 0.300 . 1 . . . . 36 ILE N . 10058 1 391 . 1 1 37 37 LEU H H 1 7.796 0.030 . 1 . . . . 37 LEU H . 10058 1 392 . 1 1 37 37 LEU HA H 1 3.873 0.030 . 1 . . . . 37 LEU HA . 10058 1 393 . 1 1 37 37 LEU HB2 H 1 2.017 0.030 . 2 . . . . 37 LEU HB2 . 10058 1 394 . 1 1 37 37 LEU HB3 H 1 1.535 0.030 . 2 . . . . 37 LEU HB3 . 10058 1 395 . 1 1 37 37 LEU HG H 1 1.903 0.030 . 1 . . . . 37 LEU HG . 10058 1 396 . 1 1 37 37 LEU HD11 H 1 0.973 0.030 . 1 . . . . 37 LEU HD1 . 10058 1 397 . 1 1 37 37 LEU HD12 H 1 0.973 0.030 . 1 . . . . 37 LEU HD1 . 10058 1 398 . 1 1 37 37 LEU HD13 H 1 0.973 0.030 . 1 . . . . 37 LEU HD1 . 10058 1 399 . 1 1 37 37 LEU HD21 H 1 0.934 0.030 . 1 . . . . 37 LEU HD2 . 10058 1 400 . 1 1 37 37 LEU HD22 H 1 0.934 0.030 . 1 . . . . 37 LEU HD2 . 10058 1 401 . 1 1 37 37 LEU HD23 H 1 0.934 0.030 . 1 . . . . 37 LEU HD2 . 10058 1 402 . 1 1 37 37 LEU C C 13 178.516 0.300 . 1 . . . . 37 LEU C . 10058 1 403 . 1 1 37 37 LEU CA C 13 58.168 0.300 . 1 . . . . 37 LEU CA . 10058 1 404 . 1 1 37 37 LEU CB C 13 42.393 0.300 . 1 . . . . 37 LEU CB . 10058 1 405 . 1 1 37 37 LEU CG C 13 26.268 0.300 . 1 . . . . 37 LEU CG . 10058 1 406 . 1 1 37 37 LEU CD1 C 13 24.600 0.300 . 2 . . . . 37 LEU CD1 . 10058 1 407 . 1 1 37 37 LEU CD2 C 13 27.082 0.300 . 2 . . . . 37 LEU CD2 . 10058 1 408 . 1 1 37 37 LEU N N 15 123.882 0.300 . 1 . . . . 37 LEU N . 10058 1 409 . 1 1 38 38 GLU H H 1 7.564 0.030 . 1 . . . . 38 GLU H . 10058 1 410 . 1 1 38 38 GLU HA H 1 4.022 0.030 . 1 . . . . 38 GLU HA . 10058 1 411 . 1 1 38 38 GLU HB2 H 1 2.158 0.030 . 1 . . . . 38 GLU HB2 . 10058 1 412 . 1 1 38 38 GLU HB3 H 1 2.158 0.030 . 1 . . . . 38 GLU HB3 . 10058 1 413 . 1 1 38 38 GLU HG2 H 1 2.288 0.030 . 2 . . . . 38 GLU HG2 . 10058 1 414 . 1 1 38 38 GLU HG3 H 1 2.480 0.030 . 2 . . . . 38 GLU HG3 . 10058 1 415 . 1 1 38 38 GLU C C 13 180.394 0.300 . 1 . . . . 38 GLU C . 10058 1 416 . 1 1 38 38 GLU CA C 13 59.631 0.300 . 1 . . . . 38 GLU CA . 10058 1 417 . 1 1 38 38 GLU CB C 13 29.571 0.300 . 1 . . . . 38 GLU CB . 10058 1 418 . 1 1 38 38 GLU CG C 13 36.206 0.300 . 1 . . . . 38 GLU CG . 10058 1 419 . 1 1 38 38 GLU N N 15 117.481 0.300 . 1 . . . . 38 GLU N . 10058 1 420 . 1 1 39 39 ILE H H 1 7.630 0.030 . 1 . . . . 39 ILE H . 10058 1 421 . 1 1 39 39 ILE HA H 1 3.682 0.030 . 1 . . . . 39 ILE HA . 10058 1 422 . 1 1 39 39 ILE HB H 1 1.716 0.030 . 1 . . . . 39 ILE HB . 10058 1 423 . 1 1 39 39 ILE HG12 H 1 1.921 0.030 . 2 . . . . 39 ILE HG12 . 10058 1 424 . 1 1 39 39 ILE HG13 H 1 0.946 0.030 . 2 . . . . 39 ILE HG13 . 10058 1 425 . 1 1 39 39 ILE HG21 H 1 0.602 0.030 . 1 . . . . 39 ILE HG2 . 10058 1 426 . 1 1 39 39 ILE HG22 H 1 0.602 0.030 . 1 . . . . 39 ILE HG2 . 10058 1 427 . 1 1 39 39 ILE HG23 H 1 0.602 0.030 . 1 . . . . 39 ILE HG2 . 10058 1 428 . 1 1 39 39 ILE HD11 H 1 0.747 0.030 . 1 . . . . 39 ILE HD1 . 10058 1 429 . 1 1 39 39 ILE HD12 H 1 0.747 0.030 . 1 . . . . 39 ILE HD1 . 10058 1 430 . 1 1 39 39 ILE HD13 H 1 0.747 0.030 . 1 . . . . 39 ILE HD1 . 10058 1 431 . 1 1 39 39 ILE C C 13 179.696 0.300 . 1 . . . . 39 ILE C . 10058 1 432 . 1 1 39 39 ILE CA C 13 65.278 0.300 . 1 . . . . 39 ILE CA . 10058 1 433 . 1 1 39 39 ILE CB C 13 38.348 0.300 . 1 . . . . 39 ILE CB . 10058 1 434 . 1 1 39 39 ILE CG1 C 13 29.032 0.300 . 1 . . . . 39 ILE CG1 . 10058 1 435 . 1 1 39 39 ILE CG2 C 13 17.201 0.300 . 1 . . . . 39 ILE CG2 . 10058 1 436 . 1 1 39 39 ILE CD1 C 13 14.365 0.300 . 1 . . . . 39 ILE CD1 . 10058 1 437 . 1 1 39 39 ILE N N 15 119.158 0.300 . 1 . . . . 39 ILE N . 10058 1 438 . 1 1 40 40 LEU H H 1 8.555 0.030 . 1 . . . . 40 LEU H . 10058 1 439 . 1 1 40 40 LEU HA H 1 3.749 0.030 . 1 . . . . 40 LEU HA . 10058 1 440 . 1 1 40 40 LEU HB2 H 1 1.409 0.030 . 2 . . . . 40 LEU HB2 . 10058 1 441 . 1 1 40 40 LEU HB3 H 1 0.640 0.030 . 2 . . . . 40 LEU HB3 . 10058 1 442 . 1 1 40 40 LEU HG H 1 1.422 0.030 . 1 . . . . 40 LEU HG . 10058 1 443 . 1 1 40 40 LEU HD11 H 1 0.454 0.030 . 1 . . . . 40 LEU HD1 . 10058 1 444 . 1 1 40 40 LEU HD12 H 1 0.454 0.030 . 1 . . . . 40 LEU HD1 . 10058 1 445 . 1 1 40 40 LEU HD13 H 1 0.454 0.030 . 1 . . . . 40 LEU HD1 . 10058 1 446 . 1 1 40 40 LEU HD21 H 1 0.240 0.030 . 1 . . . . 40 LEU HD2 . 10058 1 447 . 1 1 40 40 LEU HD22 H 1 0.240 0.030 . 1 . . . . 40 LEU HD2 . 10058 1 448 . 1 1 40 40 LEU HD23 H 1 0.240 0.030 . 1 . . . . 40 LEU HD2 . 10058 1 449 . 1 1 40 40 LEU C C 13 181.893 0.300 . 1 . . . . 40 LEU C . 10058 1 450 . 1 1 40 40 LEU CA C 13 57.770 0.300 . 1 . . . . 40 LEU CA . 10058 1 451 . 1 1 40 40 LEU CB C 13 40.183 0.300 . 1 . . . . 40 LEU CB . 10058 1 452 . 1 1 40 40 LEU CG C 13 26.820 0.300 . 1 . . . . 40 LEU CG . 10058 1 453 . 1 1 40 40 LEU CD1 C 13 22.052 0.300 . 2 . . . . 40 LEU CD1 . 10058 1 454 . 1 1 40 40 LEU CD2 C 13 26.082 0.300 . 2 . . . . 40 LEU CD2 . 10058 1 455 . 1 1 40 40 LEU N N 15 120.986 0.300 . 1 . . . . 40 LEU N . 10058 1 456 . 1 1 41 41 ASN H H 1 9.549 0.030 . 1 . . . . 41 ASN H . 10058 1 457 . 1 1 41 41 ASN HA H 1 4.794 0.030 . 1 . . . . 41 ASN HA . 10058 1 458 . 1 1 41 41 ASN HB2 H 1 3.017 0.030 . 2 . . . . 41 ASN HB2 . 10058 1 459 . 1 1 41 41 ASN HB3 H 1 2.971 0.030 . 2 . . . . 41 ASN HB3 . 10058 1 460 . 1 1 41 41 ASN HD21 H 1 7.120 0.030 . 2 . . . . 41 ASN HD21 . 10058 1 461 . 1 1 41 41 ASN HD22 H 1 7.784 0.030 . 2 . . . . 41 ASN HD22 . 10058 1 462 . 1 1 41 41 ASN C C 13 177.914 0.300 . 1 . . . . 41 ASN C . 10058 1 463 . 1 1 41 41 ASN CA C 13 55.730 0.300 . 1 . . . . 41 ASN CA . 10058 1 464 . 1 1 41 41 ASN CB C 13 37.035 0.300 . 1 . . . . 41 ASN CB . 10058 1 465 . 1 1 41 41 ASN N N 15 122.662 0.300 . 1 . . . . 41 ASN N . 10058 1 466 . 1 1 41 41 ASN ND2 N 15 112.483 0.300 . 1 . . . . 41 ASN ND2 . 10058 1 467 . 1 1 42 42 SER H H 1 7.720 0.030 . 1 . . . . 42 SER H . 10058 1 468 . 1 1 42 42 SER HA H 1 4.418 0.030 . 1 . . . . 42 SER HA . 10058 1 469 . 1 1 42 42 SER HB2 H 1 4.082 0.030 . 1 . . . . 42 SER HB2 . 10058 1 470 . 1 1 42 42 SER HB3 H 1 4.082 0.030 . 1 . . . . 42 SER HB3 . 10058 1 471 . 1 1 42 42 SER C C 13 175.346 0.300 . 1 . . . . 42 SER C . 10058 1 472 . 1 1 42 42 SER CA C 13 60.963 0.300 . 1 . . . . 42 SER CA . 10058 1 473 . 1 1 42 42 SER CB C 13 63.573 0.300 . 1 . . . . 42 SER CB . 10058 1 474 . 1 1 42 42 SER N N 15 115.500 0.300 . 1 . . . . 42 SER N . 10058 1 475 . 1 1 43 43 THR H H 1 7.468 0.030 . 1 . . . . 43 THR H . 10058 1 476 . 1 1 43 43 THR HA H 1 4.306 0.030 . 1 . . . . 43 THR HA . 10058 1 477 . 1 1 43 43 THR HB H 1 4.199 0.030 . 1 . . . . 43 THR HB . 10058 1 478 . 1 1 43 43 THR HG21 H 1 1.313 0.030 . 1 . . . . 43 THR HG2 . 10058 1 479 . 1 1 43 43 THR HG22 H 1 1.313 0.030 . 1 . . . . 43 THR HG2 . 10058 1 480 . 1 1 43 43 THR HG23 H 1 1.313 0.030 . 1 . . . . 43 THR HG2 . 10058 1 481 . 1 1 43 43 THR C C 13 176.119 0.300 . 1 . . . . 43 THR C . 10058 1 482 . 1 1 43 43 THR CA C 13 63.605 0.300 . 1 . . . . 43 THR CA . 10058 1 483 . 1 1 43 43 THR CB C 13 71.044 0.300 . 1 . . . . 43 THR CB . 10058 1 484 . 1 1 43 43 THR CG2 C 13 21.138 0.300 . 1 . . . . 43 THR CG2 . 10058 1 485 . 1 1 43 43 THR N N 15 110.472 0.300 . 1 . . . . 43 THR N . 10058 1 486 . 1 1 44 44 GLY H H 1 7.350 0.030 . 1 . . . . 44 GLY H . 10058 1 487 . 1 1 44 44 GLY HA2 H 1 4.168 0.030 . 2 . . . . 44 GLY HA2 . 10058 1 488 . 1 1 44 44 GLY HA3 H 1 3.865 0.030 . 2 . . . . 44 GLY HA3 . 10058 1 489 . 1 1 44 44 GLY C C 13 173.922 0.300 . 1 . . . . 44 GLY C . 10058 1 490 . 1 1 44 44 GLY CA C 13 46.178 0.300 . 1 . . . . 44 GLY CA . 10058 1 491 . 1 1 44 44 GLY N N 15 108.337 0.300 . 1 . . . . 44 GLY N . 10058 1 492 . 1 1 45 45 VAL H H 1 7.660 0.030 . 1 . . . . 45 VAL H . 10058 1 493 . 1 1 45 45 VAL HA H 1 4.098 0.030 . 1 . . . . 45 VAL HA . 10058 1 494 . 1 1 45 45 VAL HB H 1 2.082 0.030 . 1 . . . . 45 VAL HB . 10058 1 495 . 1 1 45 45 VAL HG11 H 1 0.873 0.030 . 1 . . . . 45 VAL HG1 . 10058 1 496 . 1 1 45 45 VAL HG12 H 1 0.873 0.030 . 1 . . . . 45 VAL HG1 . 10058 1 497 . 1 1 45 45 VAL HG13 H 1 0.873 0.030 . 1 . . . . 45 VAL HG1 . 10058 1 498 . 1 1 45 45 VAL HG21 H 1 0.962 0.030 . 1 . . . . 45 VAL HG2 . 10058 1 499 . 1 1 45 45 VAL HG22 H 1 0.962 0.030 . 1 . . . . 45 VAL HG2 . 10058 1 500 . 1 1 45 45 VAL HG23 H 1 0.962 0.030 . 1 . . . . 45 VAL HG2 . 10058 1 501 . 1 1 45 45 VAL C C 13 175.910 0.300 . 1 . . . . 45 VAL C . 10058 1 502 . 1 1 45 45 VAL CA C 13 61.943 0.300 . 1 . . . . 45 VAL CA . 10058 1 503 . 1 1 45 45 VAL CB C 13 32.504 0.300 . 1 . . . . 45 VAL CB . 10058 1 504 . 1 1 45 45 VAL CG1 C 13 21.147 0.300 . 2 . . . . 45 VAL CG1 . 10058 1 505 . 1 1 45 45 VAL CG2 C 13 21.277 0.300 . 2 . . . . 45 VAL CG2 . 10058 1 506 . 1 1 45 45 VAL N N 15 119.920 0.300 . 1 . . . . 45 VAL N . 10058 1 507 . 1 1 46 46 GLU H H 1 8.559 0.030 . 1 . . . . 46 GLU H . 10058 1 508 . 1 1 46 46 GLU HA H 1 4.400 0.030 . 1 . . . . 46 GLU HA . 10058 1 509 . 1 1 46 46 GLU HB2 H 1 1.974 0.030 . 1 . . . . 46 GLU HB2 . 10058 1 510 . 1 1 46 46 GLU HB3 H 1 1.974 0.030 . 1 . . . . 46 GLU HB3 . 10058 1 511 . 1 1 46 46 GLU HG2 H 1 2.252 0.030 . 2 . . . . 46 GLU HG2 . 10058 1 512 . 1 1 46 46 GLU HG3 H 1 2.332 0.030 . 2 . . . . 46 GLU HG3 . 10058 1 513 . 1 1 46 46 GLU C C 13 176.071 0.300 . 1 . . . . 46 GLU C . 10058 1 514 . 1 1 46 46 GLU CA C 13 56.998 0.300 . 1 . . . . 46 GLU CA . 10058 1 515 . 1 1 46 46 GLU CB C 13 30.091 0.300 . 1 . . . . 46 GLU CB . 10058 1 516 . 1 1 46 46 GLU CG C 13 36.438 0.300 . 1 . . . . 46 GLU CG . 10058 1 517 . 1 1 46 46 GLU N N 15 126.167 0.300 . 1 . . . . 46 GLU N . 10058 1 518 . 1 1 47 47 TYR H H 1 8.120 0.030 . 1 . . . . 47 TYR H . 10058 1 519 . 1 1 47 47 TYR HA H 1 5.194 0.030 . 1 . . . . 47 TYR HA . 10058 1 520 . 1 1 47 47 TYR HB2 H 1 2.624 0.030 . 2 . . . . 47 TYR HB2 . 10058 1 521 . 1 1 47 47 TYR HB3 H 1 2.743 0.030 . 2 . . . . 47 TYR HB3 . 10058 1 522 . 1 1 47 47 TYR HD1 H 1 6.966 0.030 . 1 . . . . 47 TYR HD1 . 10058 1 523 . 1 1 47 47 TYR HD2 H 1 6.966 0.030 . 1 . . . . 47 TYR HD2 . 10058 1 524 . 1 1 47 47 TYR HE1 H 1 6.580 0.030 . 1 . . . . 47 TYR HE1 . 10058 1 525 . 1 1 47 47 TYR HE2 H 1 6.580 0.030 . 1 . . . . 47 TYR HE2 . 10058 1 526 . 1 1 47 47 TYR C C 13 172.746 0.300 . 1 . . . . 47 TYR C . 10058 1 527 . 1 1 47 47 TYR CA C 13 56.197 0.300 . 1 . . . . 47 TYR CA . 10058 1 528 . 1 1 47 47 TYR CB C 13 41.459 0.300 . 1 . . . . 47 TYR CB . 10058 1 529 . 1 1 47 47 TYR CD1 C 13 133.622 0.300 . 1 . . . . 47 TYR CD1 . 10058 1 530 . 1 1 47 47 TYR CD2 C 13 133.622 0.300 . 1 . . . . 47 TYR CD2 . 10058 1 531 . 1 1 47 47 TYR CE1 C 13 117.487 0.300 . 1 . . . . 47 TYR CE1 . 10058 1 532 . 1 1 47 47 TYR CE2 C 13 117.487 0.300 . 1 . . . . 47 TYR CE2 . 10058 1 533 . 1 1 47 47 TYR N N 15 119.310 0.300 . 1 . . . . 47 TYR N . 10058 1 534 . 1 1 48 48 GLU H H 1 8.495 0.030 . 1 . . . . 48 GLU H . 10058 1 535 . 1 1 48 48 GLU HA H 1 4.756 0.030 . 1 . . . . 48 GLU HA . 10058 1 536 . 1 1 48 48 GLU HB2 H 1 1.865 0.030 . 2 . . . . 48 GLU HB2 . 10058 1 537 . 1 1 48 48 GLU HB3 H 1 2.124 0.030 . 2 . . . . 48 GLU HB3 . 10058 1 538 . 1 1 48 48 GLU HG2 H 1 2.148 0.030 . 2 . . . . 48 GLU HG2 . 10058 1 539 . 1 1 48 48 GLU HG3 H 1 2.260 0.030 . 2 . . . . 48 GLU HG3 . 10058 1 540 . 1 1 48 48 GLU C C 13 174.718 0.300 . 1 . . . . 48 GLU C . 10058 1 541 . 1 1 48 48 GLU CA C 13 53.943 0.300 . 1 . . . . 48 GLU CA . 10058 1 542 . 1 1 48 48 GLU CB C 13 33.567 0.300 . 1 . . . . 48 GLU CB . 10058 1 543 . 1 1 48 48 GLU CG C 13 36.603 0.300 . 1 . . . . 48 GLU CG . 10058 1 544 . 1 1 48 48 GLU N N 15 120.986 0.300 . 1 . . . . 48 GLU N . 10058 1 545 . 1 1 49 49 THR H H 1 8.357 0.030 . 1 . . . . 49 THR H . 10058 1 546 . 1 1 49 49 THR HA H 1 5.657 0.030 . 1 . . . . 49 THR HA . 10058 1 547 . 1 1 49 49 THR HB H 1 4.118 0.030 . 1 . . . . 49 THR HB . 10058 1 548 . 1 1 49 49 THR HG21 H 1 1.218 0.030 . 1 . . . . 49 THR HG2 . 10058 1 549 . 1 1 49 49 THR HG22 H 1 1.218 0.030 . 1 . . . . 49 THR HG2 . 10058 1 550 . 1 1 49 49 THR HG23 H 1 1.218 0.030 . 1 . . . . 49 THR HG2 . 10058 1 551 . 1 1 49 49 THR C C 13 173.438 0.300 . 1 . . . . 49 THR C . 10058 1 552 . 1 1 49 49 THR CA C 13 59.655 0.300 . 1 . . . . 49 THR CA . 10058 1 553 . 1 1 49 49 THR CB C 13 71.582 0.300 . 1 . . . . 49 THR CB . 10058 1 554 . 1 1 49 49 THR CG2 C 13 23.860 0.300 . 1 . . . . 49 THR CG2 . 10058 1 555 . 1 1 49 49 THR N N 15 110.319 0.300 . 1 . . . . 49 THR N . 10058 1 556 . 1 1 50 50 PHE H H 1 8.672 0.030 . 1 . . . . 50 PHE H . 10058 1 557 . 1 1 50 50 PHE HA H 1 4.397 0.030 . 1 . . . . 50 PHE HA . 10058 1 558 . 1 1 50 50 PHE HB2 H 1 2.491 0.030 . 2 . . . . 50 PHE HB2 . 10058 1 559 . 1 1 50 50 PHE HB3 H 1 2.237 0.030 . 2 . . . . 50 PHE HB3 . 10058 1 560 . 1 1 50 50 PHE HD1 H 1 7.119 0.030 . 1 . . . . 50 PHE HD1 . 10058 1 561 . 1 1 50 50 PHE HD2 H 1 7.119 0.030 . 1 . . . . 50 PHE HD2 . 10058 1 562 . 1 1 50 50 PHE HE1 H 1 7.274 0.030 . 1 . . . . 50 PHE HE1 . 10058 1 563 . 1 1 50 50 PHE HE2 H 1 7.274 0.030 . 1 . . . . 50 PHE HE2 . 10058 1 564 . 1 1 50 50 PHE HZ H 1 7.422 0.030 . 1 . . . . 50 PHE HZ . 10058 1 565 . 1 1 50 50 PHE C C 13 173.727 0.300 . 1 . . . . 50 PHE C . 10058 1 566 . 1 1 50 50 PHE CA C 13 57.542 0.300 . 1 . . . . 50 PHE CA . 10058 1 567 . 1 1 50 50 PHE CB C 13 43.729 0.300 . 1 . . . . 50 PHE CB . 10058 1 568 . 1 1 50 50 PHE CD1 C 13 131.688 0.300 . 1 . . . . 50 PHE CD1 . 10058 1 569 . 1 1 50 50 PHE CD2 C 13 131.688 0.300 . 1 . . . . 50 PHE CD2 . 10058 1 570 . 1 1 50 50 PHE CE1 C 13 131.688 0.300 . 1 . . . . 50 PHE CE1 . 10058 1 571 . 1 1 50 50 PHE CE2 C 13 131.688 0.300 . 1 . . . . 50 PHE CE2 . 10058 1 572 . 1 1 50 50 PHE CZ C 13 129.651 0.300 . 1 . . . . 50 PHE CZ . 10058 1 573 . 1 1 50 50 PHE N N 15 123.577 0.300 . 1 . . . . 50 PHE N . 10058 1 574 . 1 1 51 51 ASP H H 1 7.552 0.030 . 1 . . . . 51 ASP H . 10058 1 575 . 1 1 51 51 ASP HA H 1 5.375 0.030 . 1 . . . . 51 ASP HA . 10058 1 576 . 1 1 51 51 ASP HB2 H 1 2.426 0.030 . 2 . . . . 51 ASP HB2 . 10058 1 577 . 1 1 51 51 ASP HB3 H 1 2.640 0.030 . 2 . . . . 51 ASP HB3 . 10058 1 578 . 1 1 51 51 ASP C C 13 178.648 0.300 . 1 . . . . 51 ASP C . 10058 1 579 . 1 1 51 51 ASP CA C 13 52.413 0.300 . 1 . . . . 51 ASP CA . 10058 1 580 . 1 1 51 51 ASP CB C 13 40.906 0.300 . 1 . . . . 51 ASP CB . 10058 1 581 . 1 1 51 51 ASP N N 15 127.386 0.300 . 1 . . . . 51 ASP N . 10058 1 582 . 1 1 52 52 ILE H H 1 9.041 0.030 . 1 . . . . 52 ILE H . 10058 1 583 . 1 1 52 52 ILE HA H 1 4.229 0.030 . 1 . . . . 52 ILE HA . 10058 1 584 . 1 1 52 52 ILE HB H 1 1.769 0.030 . 1 . . . . 52 ILE HB . 10058 1 585 . 1 1 52 52 ILE HG12 H 1 0.033 0.030 . 2 . . . . 52 ILE HG12 . 10058 1 586 . 1 1 52 52 ILE HG13 H 1 0.937 0.030 . 2 . . . . 52 ILE HG13 . 10058 1 587 . 1 1 52 52 ILE HG21 H 1 0.990 0.030 . 1 . . . . 52 ILE HG2 . 10058 1 588 . 1 1 52 52 ILE HG22 H 1 0.990 0.030 . 1 . . . . 52 ILE HG2 . 10058 1 589 . 1 1 52 52 ILE HG23 H 1 0.990 0.030 . 1 . . . . 52 ILE HG2 . 10058 1 590 . 1 1 52 52 ILE HD11 H 1 0.336 0.030 . 1 . . . . 52 ILE HD1 . 10058 1 591 . 1 1 52 52 ILE HD12 H 1 0.336 0.030 . 1 . . . . 52 ILE HD1 . 10058 1 592 . 1 1 52 52 ILE HD13 H 1 0.336 0.030 . 1 . . . . 52 ILE HD1 . 10058 1 593 . 1 1 52 52 ILE C C 13 177.608 0.300 . 1 . . . . 52 ILE C . 10058 1 594 . 1 1 52 52 ILE CA C 13 62.455 0.300 . 1 . . . . 52 ILE CA . 10058 1 595 . 1 1 52 52 ILE CB C 13 37.742 0.300 . 1 . . . . 52 ILE CB . 10058 1 596 . 1 1 52 52 ILE CG1 C 13 25.811 0.300 . 1 . . . . 52 ILE CG1 . 10058 1 597 . 1 1 52 52 ILE CG2 C 13 22.673 0.300 . 1 . . . . 52 ILE CG2 . 10058 1 598 . 1 1 52 52 ILE CD1 C 13 15.209 0.300 . 1 . . . . 52 ILE CD1 . 10058 1 599 . 1 1 52 52 ILE N N 15 119.615 0.300 . 1 . . . . 52 ILE N . 10058 1 600 . 1 1 53 53 LEU H H 1 8.877 0.030 . 1 . . . . 53 LEU H . 10058 1 601 . 1 1 53 53 LEU HA H 1 4.131 0.030 . 1 . . . . 53 LEU HA . 10058 1 602 . 1 1 53 53 LEU HB2 H 1 2.253 0.030 . 2 . . . . 53 LEU HB2 . 10058 1 603 . 1 1 53 53 LEU HB3 H 1 1.466 0.030 . 2 . . . . 53 LEU HB3 . 10058 1 604 . 1 1 53 53 LEU HG H 1 1.609 0.030 . 1 . . . . 53 LEU HG . 10058 1 605 . 1 1 53 53 LEU HD11 H 1 0.999 0.030 . 1 . . . . 53 LEU HD1 . 10058 1 606 . 1 1 53 53 LEU HD12 H 1 0.999 0.030 . 1 . . . . 53 LEU HD1 . 10058 1 607 . 1 1 53 53 LEU HD13 H 1 0.999 0.030 . 1 . . . . 53 LEU HD1 . 10058 1 608 . 1 1 53 53 LEU HD21 H 1 0.845 0.030 . 1 . . . . 53 LEU HD2 . 10058 1 609 . 1 1 53 53 LEU HD22 H 1 0.845 0.030 . 1 . . . . 53 LEU HD2 . 10058 1 610 . 1 1 53 53 LEU HD23 H 1 0.845 0.030 . 1 . . . . 53 LEU HD2 . 10058 1 611 . 1 1 53 53 LEU C C 13 178.794 0.300 . 1 . . . . 53 LEU C . 10058 1 612 . 1 1 53 53 LEU CA C 13 56.509 0.300 . 1 . . . . 53 LEU CA . 10058 1 613 . 1 1 53 53 LEU CB C 13 40.633 0.300 . 1 . . . . 53 LEU CB . 10058 1 614 . 1 1 53 53 LEU CG C 13 27.359 0.300 . 1 . . . . 53 LEU CG . 10058 1 615 . 1 1 53 53 LEU CD1 C 13 26.253 0.300 . 2 . . . . 53 LEU CD1 . 10058 1 616 . 1 1 53 53 LEU CD2 C 13 21.887 0.300 . 2 . . . . 53 LEU CD2 . 10058 1 617 . 1 1 53 53 LEU N N 15 119.005 0.300 . 1 . . . . 53 LEU N . 10058 1 618 . 1 1 54 54 GLU H H 1 7.118 0.030 . 1 . . . . 54 GLU H . 10058 1 619 . 1 1 54 54 GLU HA H 1 4.377 0.030 . 1 . . . . 54 GLU HA . 10058 1 620 . 1 1 54 54 GLU HB2 H 1 1.766 0.030 . 2 . . . . 54 GLU HB2 . 10058 1 621 . 1 1 54 54 GLU HB3 H 1 2.224 0.030 . 2 . . . . 54 GLU HB3 . 10058 1 622 . 1 1 54 54 GLU HG2 H 1 1.992 0.030 . 2 . . . . 54 GLU HG2 . 10058 1 623 . 1 1 54 54 GLU HG3 H 1 2.197 0.030 . 2 . . . . 54 GLU HG3 . 10058 1 624 . 1 1 54 54 GLU C C 13 175.838 0.300 . 1 . . . . 54 GLU C . 10058 1 625 . 1 1 54 54 GLU CA C 13 55.650 0.300 . 1 . . . . 54 GLU CA . 10058 1 626 . 1 1 54 54 GLU CB C 13 30.637 0.300 . 1 . . . . 54 GLU CB . 10058 1 627 . 1 1 54 54 GLU CG C 13 36.027 0.300 . 1 . . . . 54 GLU CG . 10058 1 628 . 1 1 54 54 GLU N N 15 113.977 0.300 . 1 . . . . 54 GLU N . 10058 1 629 . 1 1 55 55 ASP H H 1 6.726 0.030 . 1 . . . . 55 ASP H . 10058 1 630 . 1 1 55 55 ASP HA H 1 4.819 0.030 . 1 . . . . 55 ASP HA . 10058 1 631 . 1 1 55 55 ASP HB2 H 1 3.112 0.030 . 2 . . . . 55 ASP HB2 . 10058 1 632 . 1 1 55 55 ASP HB3 H 1 2.489 0.030 . 2 . . . . 55 ASP HB3 . 10058 1 633 . 1 1 55 55 ASP C C 13 174.398 0.300 . 1 . . . . 55 ASP C . 10058 1 634 . 1 1 55 55 ASP CA C 13 53.750 0.300 . 1 . . . . 55 ASP CA . 10058 1 635 . 1 1 55 55 ASP CB C 13 42.953 0.300 . 1 . . . . 55 ASP CB . 10058 1 636 . 1 1 55 55 ASP N N 15 117.248 0.300 . 1 . . . . 55 ASP N . 10058 1 637 . 1 1 56 56 GLU H H 1 8.985 0.030 . 1 . . . . 56 GLU H . 10058 1 638 . 1 1 56 56 GLU HA H 1 4.122 0.030 . 1 . . . . 56 GLU HA . 10058 1 639 . 1 1 56 56 GLU HB2 H 1 2.054 0.030 . 2 . . . . 56 GLU HB2 . 10058 1 640 . 1 1 56 56 GLU HB3 H 1 2.114 0.030 . 2 . . . . 56 GLU HB3 . 10058 1 641 . 1 1 56 56 GLU HG2 H 1 2.364 0.030 . 1 . . . . 56 GLU HG2 . 10058 1 642 . 1 1 56 56 GLU HG3 H 1 2.364 0.030 . 1 . . . . 56 GLU HG3 . 10058 1 643 . 1 1 56 56 GLU C C 13 178.259 0.300 . 1 . . . . 56 GLU C . 10058 1 644 . 1 1 56 56 GLU CA C 13 59.012 0.300 . 1 . . . . 56 GLU CA . 10058 1 645 . 1 1 56 56 GLU CB C 13 30.094 0.300 . 1 . . . . 56 GLU CB . 10058 1 646 . 1 1 56 56 GLU CG C 13 35.698 0.300 . 1 . . . . 56 GLU CG . 10058 1 647 . 1 1 56 56 GLU N N 15 127.222 0.300 . 1 . . . . 56 GLU N . 10058 1 648 . 1 1 57 57 GLU H H 1 8.251 0.030 . 1 . . . . 57 GLU H . 10058 1 649 . 1 1 57 57 GLU HA H 1 4.136 0.030 . 1 . . . . 57 GLU HA . 10058 1 650 . 1 1 57 57 GLU HB2 H 1 2.130 0.030 . 2 . . . . 57 GLU HB2 . 10058 1 651 . 1 1 57 57 GLU HB3 H 1 2.223 0.030 . 2 . . . . 57 GLU HB3 . 10058 1 652 . 1 1 57 57 GLU HG2 H 1 2.237 0.030 . 2 . . . . 57 GLU HG2 . 10058 1 653 . 1 1 57 57 GLU HG3 H 1 2.360 0.030 . 2 . . . . 57 GLU HG3 . 10058 1 654 . 1 1 57 57 GLU C C 13 181.112 0.300 . 1 . . . . 57 GLU C . 10058 1 655 . 1 1 57 57 GLU CA C 13 59.480 0.300 . 1 . . . . 57 GLU CA . 10058 1 656 . 1 1 57 57 GLU CB C 13 29.269 0.300 . 1 . . . . 57 GLU CB . 10058 1 657 . 1 1 57 57 GLU CG C 13 36.767 0.300 . 1 . . . . 57 GLU CG . 10058 1 658 . 1 1 57 57 GLU N N 15 119.615 0.300 . 1 . . . . 57 GLU N . 10058 1 659 . 1 1 58 58 VAL H H 1 8.087 0.030 . 1 . . . . 58 VAL H . 10058 1 660 . 1 1 58 58 VAL HA H 1 3.468 0.030 . 1 . . . . 58 VAL HA . 10058 1 661 . 1 1 58 58 VAL HB H 1 1.922 0.030 . 1 . . . . 58 VAL HB . 10058 1 662 . 1 1 58 58 VAL HG11 H 1 0.806 0.030 . 1 . . . . 58 VAL HG1 . 10058 1 663 . 1 1 58 58 VAL HG12 H 1 0.806 0.030 . 1 . . . . 58 VAL HG1 . 10058 1 664 . 1 1 58 58 VAL HG13 H 1 0.806 0.030 . 1 . . . . 58 VAL HG1 . 10058 1 665 . 1 1 58 58 VAL HG21 H 1 0.482 0.030 . 1 . . . . 58 VAL HG2 . 10058 1 666 . 1 1 58 58 VAL HG22 H 1 0.482 0.030 . 1 . . . . 58 VAL HG2 . 10058 1 667 . 1 1 58 58 VAL HG23 H 1 0.482 0.030 . 1 . . . . 58 VAL HG2 . 10058 1 668 . 1 1 58 58 VAL C C 13 176.612 0.300 . 1 . . . . 58 VAL C . 10058 1 669 . 1 1 58 58 VAL CA C 13 66.521 0.300 . 1 . . . . 58 VAL CA . 10058 1 670 . 1 1 58 58 VAL CB C 13 32.137 0.300 . 1 . . . . 58 VAL CB . 10058 1 671 . 1 1 58 58 VAL CG1 C 13 22.956 0.300 . 2 . . . . 58 VAL CG1 . 10058 1 672 . 1 1 58 58 VAL CG2 C 13 21.487 0.300 . 2 . . . . 58 VAL CG2 . 10058 1 673 . 1 1 58 58 VAL N N 15 122.815 0.300 . 1 . . . . 58 VAL N . 10058 1 674 . 1 1 59 59 ARG H H 1 8.613 0.030 . 1 . . . . 59 ARG H . 10058 1 675 . 1 1 59 59 ARG HA H 1 3.822 0.030 . 1 . . . . 59 ARG HA . 10058 1 676 . 1 1 59 59 ARG HB2 H 1 2.115 0.030 . 2 . . . . 59 ARG HB2 . 10058 1 677 . 1 1 59 59 ARG HB3 H 1 2.450 0.030 . 2 . . . . 59 ARG HB3 . 10058 1 678 . 1 1 59 59 ARG HG2 H 1 1.631 0.030 . 2 . . . . 59 ARG HG2 . 10058 1 679 . 1 1 59 59 ARG HG3 H 1 1.471 0.030 . 2 . . . . 59 ARG HG3 . 10058 1 680 . 1 1 59 59 ARG HD2 H 1 3.216 0.030 . 1 . . . . 59 ARG HD2 . 10058 1 681 . 1 1 59 59 ARG HD3 H 1 3.216 0.030 . 1 . . . . 59 ARG HD3 . 10058 1 682 . 1 1 59 59 ARG C C 13 180.427 0.300 . 1 . . . . 59 ARG C . 10058 1 683 . 1 1 59 59 ARG CA C 13 59.739 0.300 . 1 . . . . 59 ARG CA . 10058 1 684 . 1 1 59 59 ARG CB C 13 30.796 0.300 . 1 . . . . 59 ARG CB . 10058 1 685 . 1 1 59 59 ARG CG C 13 27.926 0.300 . 1 . . . . 59 ARG CG . 10058 1 686 . 1 1 59 59 ARG CD C 13 43.670 0.300 . 1 . . . . 59 ARG CD . 10058 1 687 . 1 1 59 59 ARG N N 15 119.005 0.300 . 1 . . . . 59 ARG N . 10058 1 688 . 1 1 60 60 GLN H H 1 8.320 0.030 . 1 . . . . 60 GLN H . 10058 1 689 . 1 1 60 60 GLN HA H 1 4.447 0.030 . 1 . . . . 60 GLN HA . 10058 1 690 . 1 1 60 60 GLN HB2 H 1 2.138 0.030 . 2 . . . . 60 GLN HB2 . 10058 1 691 . 1 1 60 60 GLN HB3 H 1 2.210 0.030 . 2 . . . . 60 GLN HB3 . 10058 1 692 . 1 1 60 60 GLN HG2 H 1 2.614 0.030 . 1 . . . . 60 GLN HG2 . 10058 1 693 . 1 1 60 60 GLN HG3 H 1 2.614 0.030 . 1 . . . . 60 GLN HG3 . 10058 1 694 . 1 1 60 60 GLN HE21 H 1 6.972 0.030 . 2 . . . . 60 GLN HE21 . 10058 1 695 . 1 1 60 60 GLN HE22 H 1 7.728 0.030 . 2 . . . . 60 GLN HE22 . 10058 1 696 . 1 1 60 60 GLN C C 13 179.120 0.300 . 1 . . . . 60 GLN C . 10058 1 697 . 1 1 60 60 GLN CA C 13 57.525 0.300 . 1 . . . . 60 GLN CA . 10058 1 698 . 1 1 60 60 GLN CB C 13 28.734 0.300 . 1 . . . . 60 GLN CB . 10058 1 699 . 1 1 60 60 GLN CG C 13 33.165 0.300 . 1 . . . . 60 GLN CG . 10058 1 700 . 1 1 60 60 GLN N N 15 113.977 0.300 . 1 . . . . 60 GLN N . 10058 1 701 . 1 1 60 60 GLN NE2 N 15 112.205 0.300 . 1 . . . . 60 GLN NE2 . 10058 1 702 . 1 1 61 61 GLY H H 1 8.384 0.030 . 1 . . . . 61 GLY H . 10058 1 703 . 1 1 61 61 GLY HA2 H 1 3.891 0.030 . 2 . . . . 61 GLY HA2 . 10058 1 704 . 1 1 61 61 GLY HA3 H 1 3.918 0.030 . 2 . . . . 61 GLY HA3 . 10058 1 705 . 1 1 61 61 GLY C C 13 177.071 0.300 . 1 . . . . 61 GLY C . 10058 1 706 . 1 1 61 61 GLY CA C 13 47.330 0.300 . 1 . . . . 61 GLY CA . 10058 1 707 . 1 1 61 61 GLY N N 15 109.405 0.300 . 1 . . . . 61 GLY N . 10058 1 708 . 1 1 62 62 LEU H H 1 9.153 0.030 . 1 . . . . 62 LEU H . 10058 1 709 . 1 1 62 62 LEU HA H 1 4.167 0.030 . 1 . . . . 62 LEU HA . 10058 1 710 . 1 1 62 62 LEU HB2 H 1 1.722 0.030 . 2 . . . . 62 LEU HB2 . 10058 1 711 . 1 1 62 62 LEU HB3 H 1 1.964 0.030 . 2 . . . . 62 LEU HB3 . 10058 1 712 . 1 1 62 62 LEU HG H 1 1.527 0.030 . 1 . . . . 62 LEU HG . 10058 1 713 . 1 1 62 62 LEU HD11 H 1 0.207 0.030 . 1 . . . . 62 LEU HD1 . 10058 1 714 . 1 1 62 62 LEU HD12 H 1 0.207 0.030 . 1 . . . . 62 LEU HD1 . 10058 1 715 . 1 1 62 62 LEU HD13 H 1 0.207 0.030 . 1 . . . . 62 LEU HD1 . 10058 1 716 . 1 1 62 62 LEU HD21 H 1 0.054 0.030 . 1 . . . . 62 LEU HD2 . 10058 1 717 . 1 1 62 62 LEU HD22 H 1 0.054 0.030 . 1 . . . . 62 LEU HD2 . 10058 1 718 . 1 1 62 62 LEU HD23 H 1 0.054 0.030 . 1 . . . . 62 LEU HD2 . 10058 1 719 . 1 1 62 62 LEU C C 13 178.964 0.300 . 1 . . . . 62 LEU C . 10058 1 720 . 1 1 62 62 LEU CA C 13 57.826 0.300 . 1 . . . . 62 LEU CA . 10058 1 721 . 1 1 62 62 LEU CB C 13 40.738 0.300 . 1 . . . . 62 LEU CB . 10058 1 722 . 1 1 62 62 LEU CG C 13 26.530 0.300 . 1 . . . . 62 LEU CG . 10058 1 723 . 1 1 62 62 LEU CD1 C 13 24.609 0.300 . 2 . . . . 62 LEU CD1 . 10058 1 724 . 1 1 62 62 LEU CD2 C 13 24.056 0.300 . 2 . . . . 62 LEU CD2 . 10058 1 725 . 1 1 62 62 LEU N N 15 122.662 0.300 . 1 . . . . 62 LEU N . 10058 1 726 . 1 1 63 63 LYS H H 1 6.931 0.030 . 1 . . . . 63 LYS H . 10058 1 727 . 1 1 63 63 LYS HA H 1 4.360 0.030 . 1 . . . . 63 LYS HA . 10058 1 728 . 1 1 63 63 LYS HB2 H 1 1.807 0.030 . 2 . . . . 63 LYS HB2 . 10058 1 729 . 1 1 63 63 LYS HB3 H 1 1.995 0.030 . 2 . . . . 63 LYS HB3 . 10058 1 730 . 1 1 63 63 LYS HG2 H 1 1.359 0.030 . 1 . . . . 63 LYS HG2 . 10058 1 731 . 1 1 63 63 LYS HG3 H 1 1.359 0.030 . 1 . . . . 63 LYS HG3 . 10058 1 732 . 1 1 63 63 LYS HE2 H 1 3.054 0.030 . 1 . . . . 63 LYS HE2 . 10058 1 733 . 1 1 63 63 LYS HE3 H 1 3.054 0.030 . 1 . . . . 63 LYS HE3 . 10058 1 734 . 1 1 63 63 LYS C C 13 179.728 0.300 . 1 . . . . 63 LYS C . 10058 1 735 . 1 1 63 63 LYS CA C 13 59.647 0.300 . 1 . . . . 63 LYS CA . 10058 1 736 . 1 1 63 63 LYS CB C 13 32.826 0.300 . 1 . . . . 63 LYS CB . 10058 1 737 . 1 1 63 63 LYS CG C 13 25.258 0.300 . 1 . . . . 63 LYS CG . 10058 1 738 . 1 1 63 63 LYS CE C 13 41.338 0.300 . 1 . . . . 63 LYS CE . 10058 1 739 . 1 1 63 63 LYS N N 15 116.719 0.300 . 1 . . . . 63 LYS N . 10058 1 740 . 1 1 64 64 THR H H 1 7.129 0.030 . 1 . . . . 64 THR H . 10058 1 741 . 1 1 64 64 THR HA H 1 4.218 0.030 . 1 . . . . 64 THR HA . 10058 1 742 . 1 1 64 64 THR HB H 1 4.245 0.030 . 1 . . . . 64 THR HB . 10058 1 743 . 1 1 64 64 THR HG21 H 1 1.265 0.030 . 1 . . . . 64 THR HG2 . 10058 1 744 . 1 1 64 64 THR HG22 H 1 1.265 0.030 . 1 . . . . 64 THR HG2 . 10058 1 745 . 1 1 64 64 THR HG23 H 1 1.265 0.030 . 1 . . . . 64 THR HG2 . 10058 1 746 . 1 1 64 64 THR C C 13 176.186 0.300 . 1 . . . . 64 THR C . 10058 1 747 . 1 1 64 64 THR CA C 13 64.364 0.300 . 1 . . . . 64 THR CA . 10058 1 748 . 1 1 64 64 THR CB C 13 68.852 0.300 . 1 . . . . 64 THR CB . 10058 1 749 . 1 1 64 64 THR CG2 C 13 22.106 0.300 . 1 . . . . 64 THR CG2 . 10058 1 750 . 1 1 64 64 THR N N 15 112.148 0.300 . 1 . . . . 64 THR N . 10058 1 751 . 1 1 65 65 PHE H H 1 8.338 0.030 . 1 . . . . 65 PHE H . 10058 1 752 . 1 1 65 65 PHE HA H 1 4.291 0.030 . 1 . . . . 65 PHE HA . 10058 1 753 . 1 1 65 65 PHE HB2 H 1 3.237 0.030 . 2 . . . . 65 PHE HB2 . 10058 1 754 . 1 1 65 65 PHE HB3 H 1 3.024 0.030 . 2 . . . . 65 PHE HB3 . 10058 1 755 . 1 1 65 65 PHE HD1 H 1 7.235 0.030 . 1 . . . . 65 PHE HD1 . 10058 1 756 . 1 1 65 65 PHE HD2 H 1 7.235 0.030 . 1 . . . . 65 PHE HD2 . 10058 1 757 . 1 1 65 65 PHE HE1 H 1 7.084 0.030 . 1 . . . . 65 PHE HE1 . 10058 1 758 . 1 1 65 65 PHE HE2 H 1 7.084 0.030 . 1 . . . . 65 PHE HE2 . 10058 1 759 . 1 1 65 65 PHE HZ H 1 7.159 0.030 . 1 . . . . 65 PHE HZ . 10058 1 760 . 1 1 65 65 PHE C C 13 177.016 0.300 . 1 . . . . 65 PHE C . 10058 1 761 . 1 1 65 65 PHE CA C 13 60.884 0.300 . 1 . . . . 65 PHE CA . 10058 1 762 . 1 1 65 65 PHE CB C 13 41.189 0.300 . 1 . . . . 65 PHE CB . 10058 1 763 . 1 1 65 65 PHE CD1 C 13 131.863 0.300 . 1 . . . . 65 PHE CD1 . 10058 1 764 . 1 1 65 65 PHE CD2 C 13 131.863 0.300 . 1 . . . . 65 PHE CD2 . 10058 1 765 . 1 1 65 65 PHE CE1 C 13 129.471 0.300 . 1 . . . . 65 PHE CE1 . 10058 1 766 . 1 1 65 65 PHE CE2 C 13 129.471 0.300 . 1 . . . . 65 PHE CE2 . 10058 1 767 . 1 1 65 65 PHE N N 15 123.729 0.300 . 1 . . . . 65 PHE N . 10058 1 768 . 1 1 66 66 SER H H 1 8.577 0.030 . 1 . . . . 66 SER H . 10058 1 769 . 1 1 66 66 SER HA H 1 4.400 0.030 . 1 . . . . 66 SER HA . 10058 1 770 . 1 1 66 66 SER HB2 H 1 4.032 0.030 . 2 . . . . 66 SER HB2 . 10058 1 771 . 1 1 66 66 SER HB3 H 1 4.189 0.030 . 2 . . . . 66 SER HB3 . 10058 1 772 . 1 1 66 66 SER C C 13 173.872 0.300 . 1 . . . . 66 SER C . 10058 1 773 . 1 1 66 66 SER CA C 13 57.904 0.300 . 1 . . . . 66 SER CA . 10058 1 774 . 1 1 66 66 SER CB C 13 64.741 0.300 . 1 . . . . 66 SER CB . 10058 1 775 . 1 1 66 66 SER N N 15 111.538 0.300 . 1 . . . . 66 SER N . 10058 1 776 . 1 1 67 67 ASN H H 1 7.577 0.030 . 1 . . . . 67 ASN H . 10058 1 777 . 1 1 67 67 ASN HA H 1 4.346 0.030 . 1 . . . . 67 ASN HA . 10058 1 778 . 1 1 67 67 ASN HB2 H 1 3.180 0.030 . 2 . . . . 67 ASN HB2 . 10058 1 779 . 1 1 67 67 ASN HB3 H 1 2.663 0.030 . 2 . . . . 67 ASN HB3 . 10058 1 780 . 1 1 67 67 ASN HD21 H 1 7.587 0.030 . 2 . . . . 67 ASN HD21 . 10058 1 781 . 1 1 67 67 ASN HD22 H 1 6.769 0.030 . 2 . . . . 67 ASN HD22 . 10058 1 782 . 1 1 67 67 ASN C C 13 173.163 0.300 . 1 . . . . 67 ASN C . 10058 1 783 . 1 1 67 67 ASN CA C 13 54.113 0.300 . 1 . . . . 67 ASN CA . 10058 1 784 . 1 1 67 67 ASN CB C 13 37.569 0.300 . 1 . . . . 67 ASN CB . 10058 1 785 . 1 1 67 67 ASN N N 15 118.091 0.300 . 1 . . . . 67 ASN N . 10058 1 786 . 1 1 67 67 ASN ND2 N 15 112.483 0.300 . 1 . . . . 67 ASN ND2 . 10058 1 787 . 1 1 68 68 TRP H H 1 7.972 0.030 . 1 . . . . 68 TRP H . 10058 1 788 . 1 1 68 68 TRP HA H 1 4.938 0.030 . 1 . . . . 68 TRP HA . 10058 1 789 . 1 1 68 68 TRP HB2 H 1 2.742 0.030 . 2 . . . . 68 TRP HB2 . 10058 1 790 . 1 1 68 68 TRP HB3 H 1 3.079 0.030 . 2 . . . . 68 TRP HB3 . 10058 1 791 . 1 1 68 68 TRP HD1 H 1 7.527 0.030 . 1 . . . . 68 TRP HD1 . 10058 1 792 . 1 1 68 68 TRP HE1 H 1 9.727 0.030 . 1 . . . . 68 TRP HE1 . 10058 1 793 . 1 1 68 68 TRP HE3 H 1 7.693 0.030 . 1 . . . . 68 TRP HE3 . 10058 1 794 . 1 1 68 68 TRP HZ2 H 1 7.544 0.030 . 1 . . . . 68 TRP HZ2 . 10058 1 795 . 1 1 68 68 TRP HZ3 H 1 7.135 0.030 . 1 . . . . 68 TRP HZ3 . 10058 1 796 . 1 1 68 68 TRP HH2 H 1 7.270 0.030 . 1 . . . . 68 TRP HH2 . 10058 1 797 . 1 1 68 68 TRP C C 13 175.542 0.300 . 1 . . . . 68 TRP C . 10058 1 798 . 1 1 68 68 TRP CA C 13 54.329 0.300 . 1 . . . . 68 TRP CA . 10058 1 799 . 1 1 68 68 TRP CB C 13 31.180 0.300 . 1 . . . . 68 TRP CB . 10058 1 800 . 1 1 68 68 TRP CD1 C 13 126.420 0.300 . 1 . . . . 68 TRP CD1 . 10058 1 801 . 1 1 68 68 TRP CE3 C 13 121.588 0.300 . 1 . . . . 68 TRP CE3 . 10058 1 802 . 1 1 68 68 TRP CZ2 C 13 113.732 0.300 . 1 . . . . 68 TRP CZ2 . 10058 1 803 . 1 1 68 68 TRP CZ3 C 13 121.666 0.300 . 1 . . . . 68 TRP CZ3 . 10058 1 804 . 1 1 68 68 TRP CH2 C 13 124.900 0.300 . 1 . . . . 68 TRP CH2 . 10058 1 805 . 1 1 68 68 TRP N N 15 120.834 0.300 . 1 . . . . 68 TRP N . 10058 1 806 . 1 1 68 68 TRP NE1 N 15 127.908 0.300 . 1 . . . . 68 TRP NE1 . 10058 1 807 . 1 1 69 69 PRO HA H 1 4.289 0.030 . 1 . . . . 69 PRO HA . 10058 1 808 . 1 1 69 69 PRO HB2 H 1 1.953 0.030 . 1 . . . . 69 PRO HB2 . 10058 1 809 . 1 1 69 69 PRO HB3 H 1 1.953 0.030 . 1 . . . . 69 PRO HB3 . 10058 1 810 . 1 1 69 69 PRO HG2 H 1 1.499 0.030 . 2 . . . . 69 PRO HG2 . 10058 1 811 . 1 1 69 69 PRO HG3 H 1 1.725 0.030 . 2 . . . . 69 PRO HG3 . 10058 1 812 . 1 1 69 69 PRO HD2 H 1 3.221 0.030 . 2 . . . . 69 PRO HD2 . 10058 1 813 . 1 1 69 69 PRO HD3 H 1 2.535 0.030 . 2 . . . . 69 PRO HD3 . 10058 1 814 . 1 1 69 69 PRO C C 13 176.115 0.300 . 1 . . . . 69 PRO C . 10058 1 815 . 1 1 69 69 PRO CA C 13 64.678 0.300 . 1 . . . . 69 PRO CA . 10058 1 816 . 1 1 69 69 PRO CB C 13 32.568 0.300 . 1 . . . . 69 PRO CB . 10058 1 817 . 1 1 69 69 PRO CG C 13 26.400 0.300 . 1 . . . . 69 PRO CG . 10058 1 818 . 1 1 69 69 PRO CD C 13 50.332 0.300 . 1 . . . . 69 PRO CD . 10058 1 819 . 1 1 70 70 THR H H 1 6.576 0.030 . 1 . . . . 70 THR H . 10058 1 820 . 1 1 70 70 THR HA H 1 4.698 0.030 . 1 . . . . 70 THR HA . 10058 1 821 . 1 1 70 70 THR HB H 1 4.337 0.030 . 1 . . . . 70 THR HB . 10058 1 822 . 1 1 70 70 THR HG21 H 1 1.019 0.030 . 1 . . . . 70 THR HG2 . 10058 1 823 . 1 1 70 70 THR HG22 H 1 1.019 0.030 . 1 . . . . 70 THR HG2 . 10058 1 824 . 1 1 70 70 THR HG23 H 1 1.019 0.030 . 1 . . . . 70 THR HG2 . 10058 1 825 . 1 1 70 70 THR C C 13 172.398 0.300 . 1 . . . . 70 THR C . 10058 1 826 . 1 1 70 70 THR CA C 13 59.328 0.300 . 1 . . . . 70 THR CA . 10058 1 827 . 1 1 70 70 THR CB C 13 72.762 0.300 . 1 . . . . 70 THR CB . 10058 1 828 . 1 1 70 70 THR CG2 C 13 21.568 0.300 . 1 . . . . 70 THR CG2 . 10058 1 829 . 1 1 70 70 THR N N 15 107.119 0.300 . 1 . . . . 70 THR N . 10058 1 830 . 1 1 71 71 TYR HA H 1 4.535 0.030 . 1 . . . . 71 TYR HA . 10058 1 831 . 1 1 71 71 TYR HB2 H 1 2.557 0.030 . 2 . . . . 71 TYR HB2 . 10058 1 832 . 1 1 71 71 TYR HB3 H 1 2.914 0.030 . 2 . . . . 71 TYR HB3 . 10058 1 833 . 1 1 71 71 TYR HD1 H 1 7.194 0.030 . 1 . . . . 71 TYR HD1 . 10058 1 834 . 1 1 71 71 TYR HD2 H 1 7.194 0.030 . 1 . . . . 71 TYR HD2 . 10058 1 835 . 1 1 71 71 TYR HE1 H 1 6.641 0.030 . 1 . . . . 71 TYR HE1 . 10058 1 836 . 1 1 71 71 TYR HE2 H 1 6.641 0.030 . 1 . . . . 71 TYR HE2 . 10058 1 837 . 1 1 71 71 TYR CA C 13 57.217 0.300 . 1 . . . . 71 TYR CA . 10058 1 838 . 1 1 71 71 TYR CB C 13 40.076 0.300 . 1 . . . . 71 TYR CB . 10058 1 839 . 1 1 71 71 TYR CD1 C 13 132.652 0.300 . 1 . . . . 71 TYR CD1 . 10058 1 840 . 1 1 71 71 TYR CD2 C 13 132.652 0.300 . 1 . . . . 71 TYR CD2 . 10058 1 841 . 1 1 71 71 TYR CE1 C 13 118.040 0.300 . 1 . . . . 71 TYR CE1 . 10058 1 842 . 1 1 71 71 TYR CE2 C 13 118.040 0.300 . 1 . . . . 71 TYR CE2 . 10058 1 843 . 1 1 72 72 PRO HA H 1 5.489 0.030 . 1 . . . . 72 PRO HA . 10058 1 844 . 1 1 72 72 PRO HB2 H 1 2.164 0.030 . 2 . . . . 72 PRO HB2 . 10058 1 845 . 1 1 72 72 PRO HB3 H 1 2.722 0.030 . 2 . . . . 72 PRO HB3 . 10058 1 846 . 1 1 72 72 PRO HG2 H 1 1.916 0.030 . 2 . . . . 72 PRO HG2 . 10058 1 847 . 1 1 72 72 PRO HG3 H 1 1.816 0.030 . 2 . . . . 72 PRO HG3 . 10058 1 848 . 1 1 72 72 PRO HD2 H 1 3.622 0.030 . 2 . . . . 72 PRO HD2 . 10058 1 849 . 1 1 72 72 PRO HD3 H 1 4.092 0.030 . 2 . . . . 72 PRO HD3 . 10058 1 850 . 1 1 72 72 PRO CA C 13 62.252 0.300 . 1 . . . . 72 PRO CA . 10058 1 851 . 1 1 72 72 PRO CB C 13 37.425 0.300 . 1 . . . . 72 PRO CB . 10058 1 852 . 1 1 72 72 PRO CG C 13 25.093 0.300 . 1 . . . . 72 PRO CG . 10058 1 853 . 1 1 72 72 PRO CD C 13 51.356 0.300 . 1 . . . . 72 PRO CD . 10058 1 854 . 1 1 73 73 GLN H H 1 9.184 0.030 . 1 . . . . 73 GLN H . 10058 1 855 . 1 1 73 73 GLN HA H 1 4.518 0.030 . 1 . . . . 73 GLN HA . 10058 1 856 . 1 1 73 73 GLN HB2 H 1 2.013 0.030 . 2 . . . . 73 GLN HB2 . 10058 1 857 . 1 1 73 73 GLN HB3 H 1 2.091 0.030 . 2 . . . . 73 GLN HB3 . 10058 1 858 . 1 1 73 73 GLN HG2 H 1 2.586 0.030 . 2 . . . . 73 GLN HG2 . 10058 1 859 . 1 1 73 73 GLN HG3 H 1 2.099 0.030 . 2 . . . . 73 GLN HG3 . 10058 1 860 . 1 1 73 73 GLN C C 13 173.570 0.300 . 1 . . . . 73 GLN C . 10058 1 861 . 1 1 73 73 GLN CA C 13 55.745 0.300 . 1 . . . . 73 GLN CA . 10058 1 862 . 1 1 73 73 GLN CB C 13 33.994 0.300 . 1 . . . . 73 GLN CB . 10058 1 863 . 1 1 73 73 GLN CG C 13 33.972 0.300 . 1 . . . . 73 GLN CG . 10058 1 864 . 1 1 73 73 GLN N N 15 117.244 0.300 . 1 . . . . 73 GLN N . 10058 1 865 . 1 1 74 74 LEU H H 1 8.507 0.030 . 1 . . . . 74 LEU H . 10058 1 866 . 1 1 74 74 LEU HA H 1 5.277 0.030 . 1 . . . . 74 LEU HA . 10058 1 867 . 1 1 74 74 LEU HB2 H 1 1.715 0.030 . 2 . . . . 74 LEU HB2 . 10058 1 868 . 1 1 74 74 LEU HB3 H 1 0.939 0.030 . 2 . . . . 74 LEU HB3 . 10058 1 869 . 1 1 74 74 LEU HG H 1 1.309 0.030 . 1 . . . . 74 LEU HG . 10058 1 870 . 1 1 74 74 LEU HD11 H 1 0.841 0.030 . 1 . . . . 74 LEU HD1 . 10058 1 871 . 1 1 74 74 LEU HD12 H 1 0.841 0.030 . 1 . . . . 74 LEU HD1 . 10058 1 872 . 1 1 74 74 LEU HD13 H 1 0.841 0.030 . 1 . . . . 74 LEU HD1 . 10058 1 873 . 1 1 74 74 LEU HD21 H 1 0.613 0.030 . 1 . . . . 74 LEU HD2 . 10058 1 874 . 1 1 74 74 LEU HD22 H 1 0.613 0.030 . 1 . . . . 74 LEU HD2 . 10058 1 875 . 1 1 74 74 LEU HD23 H 1 0.613 0.030 . 1 . . . . 74 LEU HD2 . 10058 1 876 . 1 1 74 74 LEU C C 13 173.506 0.300 . 1 . . . . 74 LEU C . 10058 1 877 . 1 1 74 74 LEU CA C 13 53.628 0.300 . 1 . . . . 74 LEU CA . 10058 1 878 . 1 1 74 74 LEU CB C 13 45.127 0.300 . 1 . . . . 74 LEU CB . 10058 1 879 . 1 1 74 74 LEU CG C 13 27.650 0.300 . 1 . . . . 74 LEU CG . 10058 1 880 . 1 1 74 74 LEU CD1 C 13 24.354 0.300 . 2 . . . . 74 LEU CD1 . 10058 1 881 . 1 1 74 74 LEU CD2 C 13 26.820 0.300 . 2 . . . . 74 LEU CD2 . 10058 1 882 . 1 1 74 74 LEU N N 15 124.643 0.300 . 1 . . . . 74 LEU N . 10058 1 883 . 1 1 75 75 TYR H H 1 9.843 0.030 . 1 . . . . 75 TYR H . 10058 1 884 . 1 1 75 75 TYR HA H 1 5.082 0.030 . 1 . . . . 75 TYR HA . 10058 1 885 . 1 1 75 75 TYR HB2 H 1 3.274 0.030 . 2 . . . . 75 TYR HB2 . 10058 1 886 . 1 1 75 75 TYR HB3 H 1 2.679 0.030 . 2 . . . . 75 TYR HB3 . 10058 1 887 . 1 1 75 75 TYR HD1 H 1 6.973 0.030 . 1 . . . . 75 TYR HD1 . 10058 1 888 . 1 1 75 75 TYR HD2 H 1 6.973 0.030 . 1 . . . . 75 TYR HD2 . 10058 1 889 . 1 1 75 75 TYR HE1 H 1 6.778 0.030 . 1 . . . . 75 TYR HE1 . 10058 1 890 . 1 1 75 75 TYR HE2 H 1 6.778 0.030 . 1 . . . . 75 TYR HE2 . 10058 1 891 . 1 1 75 75 TYR C C 13 174.475 0.300 . 1 . . . . 75 TYR C . 10058 1 892 . 1 1 75 75 TYR CA C 13 57.260 0.300 . 1 . . . . 75 TYR CA . 10058 1 893 . 1 1 75 75 TYR CB C 13 41.812 0.300 . 1 . . . . 75 TYR CB . 10058 1 894 . 1 1 75 75 TYR CD1 C 13 132.228 0.300 . 1 . . . . 75 TYR CD1 . 10058 1 895 . 1 1 75 75 TYR CD2 C 13 132.228 0.300 . 1 . . . . 75 TYR CD2 . 10058 1 896 . 1 1 75 75 TYR CE1 C 13 118.554 0.300 . 1 . . . . 75 TYR CE1 . 10058 1 897 . 1 1 75 75 TYR CE2 C 13 118.554 0.300 . 1 . . . . 75 TYR CE2 . 10058 1 898 . 1 1 75 75 TYR N N 15 129.671 0.300 . 1 . . . . 75 TYR N . 10058 1 899 . 1 1 76 76 VAL H H 1 8.923 0.030 . 1 . . . . 76 VAL H . 10058 1 900 . 1 1 76 76 VAL HA H 1 5.069 0.030 . 1 . . . . 76 VAL HA . 10058 1 901 . 1 1 76 76 VAL HB H 1 1.770 0.030 . 1 . . . . 76 VAL HB . 10058 1 902 . 1 1 76 76 VAL HG11 H 1 1.028 0.030 . 1 . . . . 76 VAL HG1 . 10058 1 903 . 1 1 76 76 VAL HG12 H 1 1.028 0.030 . 1 . . . . 76 VAL HG1 . 10058 1 904 . 1 1 76 76 VAL HG13 H 1 1.028 0.030 . 1 . . . . 76 VAL HG1 . 10058 1 905 . 1 1 76 76 VAL HG21 H 1 0.886 0.030 . 1 . . . . 76 VAL HG2 . 10058 1 906 . 1 1 76 76 VAL HG22 H 1 0.886 0.030 . 1 . . . . 76 VAL HG2 . 10058 1 907 . 1 1 76 76 VAL HG23 H 1 0.886 0.030 . 1 . . . . 76 VAL HG2 . 10058 1 908 . 1 1 76 76 VAL C C 13 176.285 0.300 . 1 . . . . 76 VAL C . 10058 1 909 . 1 1 76 76 VAL CA C 13 60.785 0.300 . 1 . . . . 76 VAL CA . 10058 1 910 . 1 1 76 76 VAL CB C 13 34.766 0.300 . 1 . . . . 76 VAL CB . 10058 1 911 . 1 1 76 76 VAL CG1 C 13 21.844 0.300 . 2 . . . . 76 VAL CG1 . 10058 1 912 . 1 1 76 76 VAL CG2 C 13 23.226 0.300 . 2 . . . . 76 VAL CG2 . 10058 1 913 . 1 1 76 76 VAL N N 15 118.853 0.300 . 1 . . . . 76 VAL N . 10058 1 914 . 1 1 77 77 ARG H H 1 10.437 0.030 . 1 . . . . 77 ARG H . 10058 1 915 . 1 1 77 77 ARG HA H 1 4.042 0.030 . 1 . . . . 77 ARG HA . 10058 1 916 . 1 1 77 77 ARG HB2 H 1 1.897 0.030 . 2 . . . . 77 ARG HB2 . 10058 1 917 . 1 1 77 77 ARG HB3 H 1 2.030 0.030 . 2 . . . . 77 ARG HB3 . 10058 1 918 . 1 1 77 77 ARG HG2 H 1 1.620 0.030 . 1 . . . . 77 ARG HG2 . 10058 1 919 . 1 1 77 77 ARG HG3 H 1 1.620 0.030 . 1 . . . . 77 ARG HG3 . 10058 1 920 . 1 1 77 77 ARG HD2 H 1 3.227 0.030 . 2 . . . . 77 ARG HD2 . 10058 1 921 . 1 1 77 77 ARG HD3 H 1 3.455 0.030 . 2 . . . . 77 ARG HD3 . 10058 1 922 . 1 1 77 77 ARG C C 13 176.354 0.300 . 1 . . . . 77 ARG C . 10058 1 923 . 1 1 77 77 ARG CA C 13 57.509 0.300 . 1 . . . . 77 ARG CA . 10058 1 924 . 1 1 77 77 ARG CB C 13 27.837 0.300 . 1 . . . . 77 ARG CB . 10058 1 925 . 1 1 77 77 ARG CG C 13 28.741 0.300 . 1 . . . . 77 ARG CG . 10058 1 926 . 1 1 77 77 ARG CD C 13 43.179 0.300 . 1 . . . . 77 ARG CD . 10058 1 927 . 1 1 77 77 ARG N N 15 128.910 0.300 . 1 . . . . 77 ARG N . 10058 1 928 . 1 1 78 78 GLY H H 1 9.349 0.030 . 1 . . . . 78 GLY H . 10058 1 929 . 1 1 78 78 GLY HA2 H 1 4.337 0.030 . 2 . . . . 78 GLY HA2 . 10058 1 930 . 1 1 78 78 GLY HA3 H 1 3.390 0.030 . 2 . . . . 78 GLY HA3 . 10058 1 931 . 1 1 78 78 GLY C C 13 173.532 0.300 . 1 . . . . 78 GLY C . 10058 1 932 . 1 1 78 78 GLY CA C 13 45.454 0.300 . 1 . . . . 78 GLY CA . 10058 1 933 . 1 1 78 78 GLY N N 15 104.071 0.300 . 1 . . . . 78 GLY N . 10058 1 934 . 1 1 79 79 ASP H H 1 8.151 0.030 . 1 . . . . 79 ASP H . 10058 1 935 . 1 1 79 79 ASP HA H 1 5.143 0.030 . 1 . . . . 79 ASP HA . 10058 1 936 . 1 1 79 79 ASP HB2 H 1 2.496 0.030 . 2 . . . . 79 ASP HB2 . 10058 1 937 . 1 1 79 79 ASP HB3 H 1 2.623 0.030 . 2 . . . . 79 ASP HB3 . 10058 1 938 . 1 1 79 79 ASP C C 13 175.191 0.300 . 1 . . . . 79 ASP C . 10058 1 939 . 1 1 79 79 ASP CA C 13 52.854 0.300 . 1 . . . . 79 ASP CA . 10058 1 940 . 1 1 79 79 ASP CB C 13 42.900 0.300 . 1 . . . . 79 ASP CB . 10058 1 941 . 1 1 79 79 ASP N N 15 121.138 0.300 . 1 . . . . 79 ASP N . 10058 1 942 . 1 1 80 80 LEU H H 1 8.631 0.030 . 1 . . . . 80 LEU H . 10058 1 943 . 1 1 80 80 LEU HA H 1 3.154 0.030 . 1 . . . . 80 LEU HA . 10058 1 944 . 1 1 80 80 LEU HB2 H 1 0.980 0.030 . 2 . . . . 80 LEU HB2 . 10058 1 945 . 1 1 80 80 LEU HB3 H 1 1.536 0.030 . 2 . . . . 80 LEU HB3 . 10058 1 946 . 1 1 80 80 LEU HG H 1 0.498 0.030 . 1 . . . . 80 LEU HG . 10058 1 947 . 1 1 80 80 LEU HD11 H 1 0.006 0.030 . 1 . . . . 80 LEU HD1 . 10058 1 948 . 1 1 80 80 LEU HD12 H 1 0.006 0.030 . 1 . . . . 80 LEU HD1 . 10058 1 949 . 1 1 80 80 LEU HD13 H 1 0.006 0.030 . 1 . . . . 80 LEU HD1 . 10058 1 950 . 1 1 80 80 LEU HD21 H 1 0.490 0.030 . 1 . . . . 80 LEU HD2 . 10058 1 951 . 1 1 80 80 LEU HD22 H 1 0.490 0.030 . 1 . . . . 80 LEU HD2 . 10058 1 952 . 1 1 80 80 LEU HD23 H 1 0.490 0.030 . 1 . . . . 80 LEU HD2 . 10058 1 953 . 1 1 80 80 LEU C C 13 176.807 0.300 . 1 . . . . 80 LEU C . 10058 1 954 . 1 1 80 80 LEU CA C 13 55.505 0.300 . 1 . . . . 80 LEU CA . 10058 1 955 . 1 1 80 80 LEU CB C 13 41.402 0.300 . 1 . . . . 80 LEU CB . 10058 1 956 . 1 1 80 80 LEU CG C 13 26.820 0.300 . 1 . . . . 80 LEU CG . 10058 1 957 . 1 1 80 80 LEU CD1 C 13 21.568 0.300 . 2 . . . . 80 LEU CD1 . 10058 1 958 . 1 1 80 80 LEU CD2 C 13 26.806 0.300 . 2 . . . . 80 LEU CD2 . 10058 1 959 . 1 1 80 80 LEU N N 15 124.643 0.300 . 1 . . . . 80 LEU N . 10058 1 960 . 1 1 81 81 VAL H H 1 9.108 0.030 . 1 . . . . 81 VAL H . 10058 1 961 . 1 1 81 81 VAL HA H 1 3.806 0.030 . 1 . . . . 81 VAL HA . 10058 1 962 . 1 1 81 81 VAL HB H 1 1.518 0.030 . 1 . . . . 81 VAL HB . 10058 1 963 . 1 1 81 81 VAL HG11 H 1 0.803 0.030 . 1 . . . . 81 VAL HG1 . 10058 1 964 . 1 1 81 81 VAL HG12 H 1 0.803 0.030 . 1 . . . . 81 VAL HG1 . 10058 1 965 . 1 1 81 81 VAL HG13 H 1 0.803 0.030 . 1 . . . . 81 VAL HG1 . 10058 1 966 . 1 1 81 81 VAL HG21 H 1 0.610 0.030 . 1 . . . . 81 VAL HG2 . 10058 1 967 . 1 1 81 81 VAL HG22 H 1 0.610 0.030 . 1 . . . . 81 VAL HG2 . 10058 1 968 . 1 1 81 81 VAL HG23 H 1 0.610 0.030 . 1 . . . . 81 VAL HG2 . 10058 1 969 . 1 1 81 81 VAL C C 13 175.394 0.300 . 1 . . . . 81 VAL C . 10058 1 970 . 1 1 81 81 VAL CA C 13 63.781 0.300 . 1 . . . . 81 VAL CA . 10058 1 971 . 1 1 81 81 VAL CB C 13 32.705 0.300 . 1 . . . . 81 VAL CB . 10058 1 972 . 1 1 81 81 VAL CG1 C 13 22.397 0.300 . 2 . . . . 81 VAL CG1 . 10058 1 973 . 1 1 81 81 VAL CG2 C 13 20.738 0.300 . 2 . . . . 81 VAL CG2 . 10058 1 974 . 1 1 81 81 VAL N N 15 129.060 0.300 . 1 . . . . 81 VAL N . 10058 1 975 . 1 1 82 82 GLY H H 1 6.501 0.030 . 1 . . . . 82 GLY H . 10058 1 976 . 1 1 82 82 GLY HA2 H 1 3.892 0.030 . 2 . . . . 82 GLY HA2 . 10058 1 977 . 1 1 82 82 GLY HA3 H 1 2.181 0.030 . 2 . . . . 82 GLY HA3 . 10058 1 978 . 1 1 82 82 GLY CA C 13 43.755 0.300 . 1 . . . . 82 GLY CA . 10058 1 979 . 1 1 82 82 GLY N N 15 100.934 0.300 . 1 . . . . 82 GLY N . 10058 1 980 . 1 1 83 83 GLY H H 1 7.218 0.030 . 1 . . . . 83 GLY H . 10058 1 981 . 1 1 83 83 GLY HA2 H 1 4.577 0.030 . 2 . . . . 83 GLY HA2 . 10058 1 982 . 1 1 83 83 GLY HA3 H 1 3.839 0.030 . 2 . . . . 83 GLY HA3 . 10058 1 983 . 1 1 83 83 GLY C C 13 173.098 0.300 . 1 . . . . 83 GLY C . 10058 1 984 . 1 1 83 83 GLY CA C 13 43.268 0.300 . 1 . . . . 83 GLY CA . 10058 1 985 . 1 1 83 83 GLY N N 15 108.551 0.300 . 1 . . . . 83 GLY N . 10058 1 986 . 1 1 84 84 LEU H H 1 8.801 0.030 . 1 . . . . 84 LEU H . 10058 1 987 . 1 1 84 84 LEU HA H 1 3.777 0.030 . 1 . . . . 84 LEU HA . 10058 1 988 . 1 1 84 84 LEU HB2 H 1 1.281 0.030 . 2 . . . . 84 LEU HB2 . 10058 1 989 . 1 1 84 84 LEU HB3 H 1 1.795 0.030 . 2 . . . . 84 LEU HB3 . 10058 1 990 . 1 1 84 84 LEU HG H 1 1.524 0.030 . 1 . . . . 84 LEU HG . 10058 1 991 . 1 1 84 84 LEU HD11 H 1 0.999 0.030 . 1 . . . . 84 LEU HD1 . 10058 1 992 . 1 1 84 84 LEU HD12 H 1 0.999 0.030 . 1 . . . . 84 LEU HD1 . 10058 1 993 . 1 1 84 84 LEU HD13 H 1 0.999 0.030 . 1 . . . . 84 LEU HD1 . 10058 1 994 . 1 1 84 84 LEU HD21 H 1 0.826 0.030 . 1 . . . . 84 LEU HD2 . 10058 1 995 . 1 1 84 84 LEU HD22 H 1 0.826 0.030 . 1 . . . . 84 LEU HD2 . 10058 1 996 . 1 1 84 84 LEU HD23 H 1 0.826 0.030 . 1 . . . . 84 LEU HD2 . 10058 1 997 . 1 1 84 84 LEU C C 13 176.979 0.300 . 1 . . . . 84 LEU C . 10058 1 998 . 1 1 84 84 LEU CA C 13 58.640 0.300 . 1 . . . . 84 LEU CA . 10058 1 999 . 1 1 84 84 LEU CB C 13 41.735 0.300 . 1 . . . . 84 LEU CB . 10058 1 1000 . 1 1 84 84 LEU CG C 13 27.373 0.300 . 1 . . . . 84 LEU CG . 10058 1 1001 . 1 1 84 84 LEU CD1 C 13 26.253 0.300 . 2 . . . . 84 LEU CD1 . 10058 1 1002 . 1 1 84 84 LEU CD2 C 13 22.950 0.300 . 2 . . . . 84 LEU CD2 . 10058 1 1003 . 1 1 84 84 LEU N N 15 119.920 0.300 . 1 . . . . 84 LEU N . 10058 1 1004 . 1 1 85 85 ASP H H 1 8.236 0.030 . 1 . . . . 85 ASP H . 10058 1 1005 . 1 1 85 85 ASP HA H 1 4.223 0.030 . 1 . . . . 85 ASP HA . 10058 1 1006 . 1 1 85 85 ASP HB2 H 1 2.663 0.030 . 1 . . . . 85 ASP HB2 . 10058 1 1007 . 1 1 85 85 ASP HB3 H 1 2.663 0.030 . 1 . . . . 85 ASP HB3 . 10058 1 1008 . 1 1 85 85 ASP C C 13 179.220 0.300 . 1 . . . . 85 ASP C . 10058 1 1009 . 1 1 85 85 ASP CA C 13 58.435 0.300 . 1 . . . . 85 ASP CA . 10058 1 1010 . 1 1 85 85 ASP CB C 13 39.800 0.300 . 1 . . . . 85 ASP CB . 10058 1 1011 . 1 1 85 85 ASP N N 15 115.500 0.300 . 1 . . . . 85 ASP N . 10058 1 1012 . 1 1 86 86 ILE H H 1 7.990 0.030 . 1 . . . . 86 ILE H . 10058 1 1013 . 1 1 86 86 ILE HA H 1 3.939 0.030 . 1 . . . . 86 ILE HA . 10058 1 1014 . 1 1 86 86 ILE HB H 1 1.654 0.030 . 1 . . . . 86 ILE HB . 10058 1 1015 . 1 1 86 86 ILE HG12 H 1 1.314 0.030 . 2 . . . . 86 ILE HG12 . 10058 1 1016 . 1 1 86 86 ILE HG13 H 1 1.660 0.030 . 2 . . . . 86 ILE HG13 . 10058 1 1017 . 1 1 86 86 ILE HG21 H 1 0.831 0.030 . 1 . . . . 86 ILE HG2 . 10058 1 1018 . 1 1 86 86 ILE HG22 H 1 0.831 0.030 . 1 . . . . 86 ILE HG2 . 10058 1 1019 . 1 1 86 86 ILE HG23 H 1 0.831 0.030 . 1 . . . . 86 ILE HG2 . 10058 1 1020 . 1 1 86 86 ILE HD11 H 1 1.033 0.030 . 1 . . . . 86 ILE HD1 . 10058 1 1021 . 1 1 86 86 ILE HD12 H 1 1.033 0.030 . 1 . . . . 86 ILE HD1 . 10058 1 1022 . 1 1 86 86 ILE HD13 H 1 1.033 0.030 . 1 . . . . 86 ILE HD1 . 10058 1 1023 . 1 1 86 86 ILE C C 13 177.107 0.300 . 1 . . . . 86 ILE C . 10058 1 1024 . 1 1 86 86 ILE CA C 13 63.818 0.300 . 1 . . . . 86 ILE CA . 10058 1 1025 . 1 1 86 86 ILE CB C 13 38.189 0.300 . 1 . . . . 86 ILE CB . 10058 1 1026 . 1 1 86 86 ILE CG1 C 13 29.910 0.300 . 1 . . . . 86 ILE CG1 . 10058 1 1027 . 1 1 86 86 ILE CG2 C 13 17.448 0.300 . 1 . . . . 86 ILE CG2 . 10058 1 1028 . 1 1 86 86 ILE CD1 C 13 13.535 0.300 . 1 . . . . 86 ILE CD1 . 10058 1 1029 . 1 1 86 86 ILE N N 15 120.529 0.300 . 1 . . . . 86 ILE N . 10058 1 1030 . 1 1 87 87 VAL H H 1 7.828 0.030 . 1 . . . . 87 VAL H . 10058 1 1031 . 1 1 87 87 VAL HA H 1 3.343 0.030 . 1 . . . . 87 VAL HA . 10058 1 1032 . 1 1 87 87 VAL HB H 1 1.991 0.030 . 1 . . . . 87 VAL HB . 10058 1 1033 . 1 1 87 87 VAL HG11 H 1 0.804 0.030 . 1 . . . . 87 VAL HG1 . 10058 1 1034 . 1 1 87 87 VAL HG12 H 1 0.804 0.030 . 1 . . . . 87 VAL HG1 . 10058 1 1035 . 1 1 87 87 VAL HG13 H 1 0.804 0.030 . 1 . . . . 87 VAL HG1 . 10058 1 1036 . 1 1 87 87 VAL HG21 H 1 0.777 0.030 . 1 . . . . 87 VAL HG2 . 10058 1 1037 . 1 1 87 87 VAL HG22 H 1 0.777 0.030 . 1 . . . . 87 VAL HG2 . 10058 1 1038 . 1 1 87 87 VAL HG23 H 1 0.777 0.030 . 1 . . . . 87 VAL HG2 . 10058 1 1039 . 1 1 87 87 VAL C C 13 177.283 0.300 . 1 . . . . 87 VAL C . 10058 1 1040 . 1 1 87 87 VAL CA C 13 67.723 0.300 . 1 . . . . 87 VAL CA . 10058 1 1041 . 1 1 87 87 VAL CB C 13 31.282 0.300 . 1 . . . . 87 VAL CB . 10058 1 1042 . 1 1 87 87 VAL CG1 C 13 21.829 0.300 . 2 . . . . 87 VAL CG1 . 10058 1 1043 . 1 1 87 87 VAL CG2 C 13 25.147 0.300 . 2 . . . . 87 VAL CG2 . 10058 1 1044 . 1 1 87 87 VAL N N 15 120.986 0.300 . 1 . . . . 87 VAL N . 10058 1 1045 . 1 1 88 88 LYS H H 1 8.827 0.030 . 1 . . . . 88 LYS H . 10058 1 1046 . 1 1 88 88 LYS HA H 1 3.798 0.030 . 1 . . . . 88 LYS HA . 10058 1 1047 . 1 1 88 88 LYS HB2 H 1 1.760 0.030 . 2 . . . . 88 LYS HB2 . 10058 1 1048 . 1 1 88 88 LYS HB3 H 1 1.942 0.030 . 2 . . . . 88 LYS HB3 . 10058 1 1049 . 1 1 88 88 LYS HG2 H 1 1.398 0.030 . 2 . . . . 88 LYS HG2 . 10058 1 1050 . 1 1 88 88 LYS HG3 H 1 1.514 0.030 . 2 . . . . 88 LYS HG3 . 10058 1 1051 . 1 1 88 88 LYS HD2 H 1 1.700 0.030 . 1 . . . . 88 LYS HD2 . 10058 1 1052 . 1 1 88 88 LYS HD3 H 1 1.700 0.030 . 1 . . . . 88 LYS HD3 . 10058 1 1053 . 1 1 88 88 LYS HE2 H 1 2.993 0.030 . 1 . . . . 88 LYS HE2 . 10058 1 1054 . 1 1 88 88 LYS HE3 H 1 2.993 0.030 . 1 . . . . 88 LYS HE3 . 10058 1 1055 . 1 1 88 88 LYS C C 13 177.898 0.300 . 1 . . . . 88 LYS C . 10058 1 1056 . 1 1 88 88 LYS CA C 13 60.258 0.300 . 1 . . . . 88 LYS CA . 10058 1 1057 . 1 1 88 88 LYS CB C 13 32.436 0.300 . 1 . . . . 88 LYS CB . 10058 1 1058 . 1 1 88 88 LYS CG C 13 25.700 0.300 . 1 . . . . 88 LYS CG . 10058 1 1059 . 1 1 88 88 LYS CD C 13 29.309 0.300 . 1 . . . . 88 LYS CD . 10058 1 1060 . 1 1 88 88 LYS CE C 13 41.864 0.300 . 1 . . . . 88 LYS CE . 10058 1 1061 . 1 1 88 88 LYS N N 15 119.158 0.300 . 1 . . . . 88 LYS N . 10058 1 1062 . 1 1 89 89 GLU H H 1 7.565 0.030 . 1 . . . . 89 GLU H . 10058 1 1063 . 1 1 89 89 GLU HA H 1 4.040 0.030 . 1 . . . . 89 GLU HA . 10058 1 1064 . 1 1 89 89 GLU HB2 H 1 2.107 0.030 . 2 . . . . 89 GLU HB2 . 10058 1 1065 . 1 1 89 89 GLU HB3 H 1 2.180 0.030 . 2 . . . . 89 GLU HB3 . 10058 1 1066 . 1 1 89 89 GLU HG2 H 1 2.200 0.030 . 2 . . . . 89 GLU HG2 . 10058 1 1067 . 1 1 89 89 GLU HG3 H 1 2.362 0.030 . 2 . . . . 89 GLU HG3 . 10058 1 1068 . 1 1 89 89 GLU C C 13 179.050 0.300 . 1 . . . . 89 GLU C . 10058 1 1069 . 1 1 89 89 GLU CA C 13 59.934 0.300 . 1 . . . . 89 GLU CA . 10058 1 1070 . 1 1 89 89 GLU CB C 13 29.294 0.300 . 1 . . . . 89 GLU CB . 10058 1 1071 . 1 1 89 89 GLU CG C 13 35.929 0.300 . 1 . . . . 89 GLU CG . 10058 1 1072 . 1 1 89 89 GLU N N 15 120.529 0.300 . 1 . . . . 89 GLU N . 10058 1 1073 . 1 1 90 90 LEU H H 1 8.516 0.030 . 1 . . . . 90 LEU H . 10058 1 1074 . 1 1 90 90 LEU HA H 1 4.168 0.030 . 1 . . . . 90 LEU HA . 10058 1 1075 . 1 1 90 90 LEU HB2 H 1 1.934 0.030 . 2 . . . . 90 LEU HB2 . 10058 1 1076 . 1 1 90 90 LEU HB3 H 1 0.842 0.030 . 2 . . . . 90 LEU HB3 . 10058 1 1077 . 1 1 90 90 LEU HG H 1 1.954 0.030 . 1 . . . . 90 LEU HG . 10058 1 1078 . 1 1 90 90 LEU HD11 H 1 0.624 0.030 . 1 . . . . 90 LEU HD1 . 10058 1 1079 . 1 1 90 90 LEU HD12 H 1 0.624 0.030 . 1 . . . . 90 LEU HD1 . 10058 1 1080 . 1 1 90 90 LEU HD13 H 1 0.624 0.030 . 1 . . . . 90 LEU HD1 . 10058 1 1081 . 1 1 90 90 LEU HD21 H 1 0.801 0.030 . 1 . . . . 90 LEU HD2 . 10058 1 1082 . 1 1 90 90 LEU HD22 H 1 0.801 0.030 . 1 . . . . 90 LEU HD2 . 10058 1 1083 . 1 1 90 90 LEU HD23 H 1 0.801 0.030 . 1 . . . . 90 LEU HD2 . 10058 1 1084 . 1 1 90 90 LEU C C 13 180.176 0.300 . 1 . . . . 90 LEU C . 10058 1 1085 . 1 1 90 90 LEU CA C 13 57.204 0.300 . 1 . . . . 90 LEU CA . 10058 1 1086 . 1 1 90 90 LEU CB C 13 42.277 0.300 . 1 . . . . 90 LEU CB . 10058 1 1087 . 1 1 90 90 LEU CG C 13 26.530 0.300 . 1 . . . . 90 LEU CG . 10058 1 1088 . 1 1 90 90 LEU CD1 C 13 26.544 0.300 . 2 . . . . 90 LEU CD1 . 10058 1 1089 . 1 1 90 90 LEU CD2 C 13 22.673 0.300 . 2 . . . . 90 LEU CD2 . 10058 1 1090 . 1 1 90 90 LEU N N 15 118.570 0.300 . 1 . . . . 90 LEU N . 10058 1 1091 . 1 1 91 91 LYS H H 1 8.468 0.030 . 1 . . . . 91 LYS H . 10058 1 1092 . 1 1 91 91 LYS HA H 1 4.006 0.030 . 1 . . . . 91 LYS HA . 10058 1 1093 . 1 1 91 91 LYS HB2 H 1 2.212 0.030 . 2 . . . . 91 LYS HB2 . 10058 1 1094 . 1 1 91 91 LYS HB3 H 1 1.721 0.030 . 2 . . . . 91 LYS HB3 . 10058 1 1095 . 1 1 91 91 LYS HG2 H 1 1.481 0.030 . 1 . . . . 91 LYS HG2 . 10058 1 1096 . 1 1 91 91 LYS HG3 H 1 1.481 0.030 . 1 . . . . 91 LYS HG3 . 10058 1 1097 . 1 1 91 91 LYS HD2 H 1 1.498 0.030 . 2 . . . . 91 LYS HD2 . 10058 1 1098 . 1 1 91 91 LYS HD3 H 1 1.726 0.030 . 2 . . . . 91 LYS HD3 . 10058 1 1099 . 1 1 91 91 LYS HE2 H 1 2.991 0.030 . 1 . . . . 91 LYS HE2 . 10058 1 1100 . 1 1 91 91 LYS HE3 H 1 2.991 0.030 . 1 . . . . 91 LYS HE3 . 10058 1 1101 . 1 1 91 91 LYS C C 13 180.011 0.300 . 1 . . . . 91 LYS C . 10058 1 1102 . 1 1 91 91 LYS CA C 13 59.096 0.300 . 1 . . . . 91 LYS CA . 10058 1 1103 . 1 1 91 91 LYS CB C 13 31.491 0.300 . 1 . . . . 91 LYS CB . 10058 1 1104 . 1 1 91 91 LYS CG C 13 24.318 0.300 . 1 . . . . 91 LYS CG . 10058 1 1105 . 1 1 91 91 LYS CD C 13 29.018 0.300 . 1 . . . . 91 LYS CD . 10058 1 1106 . 1 1 91 91 LYS CE C 13 42.111 0.300 . 1 . . . . 91 LYS CE . 10058 1 1107 . 1 1 91 91 LYS N N 15 122.053 0.300 . 1 . . . . 91 LYS N . 10058 1 1108 . 1 1 92 92 ASP H H 1 8.644 0.030 . 1 . . . . 92 ASP H . 10058 1 1109 . 1 1 92 92 ASP HA H 1 4.399 0.030 . 1 . . . . 92 ASP HA . 10058 1 1110 . 1 1 92 92 ASP HB2 H 1 2.667 0.030 . 2 . . . . 92 ASP HB2 . 10058 1 1111 . 1 1 92 92 ASP HB3 H 1 2.799 0.030 . 2 . . . . 92 ASP HB3 . 10058 1 1112 . 1 1 92 92 ASP C C 13 177.835 0.300 . 1 . . . . 92 ASP C . 10058 1 1113 . 1 1 92 92 ASP CA C 13 57.272 0.300 . 1 . . . . 92 ASP CA . 10058 1 1114 . 1 1 92 92 ASP CB C 13 40.150 0.300 . 1 . . . . 92 ASP CB . 10058 1 1115 . 1 1 92 92 ASP N N 15 122.053 0.300 . 1 . . . . 92 ASP N . 10058 1 1116 . 1 1 93 93 ASN H H 1 8.081 0.030 . 1 . . . . 93 ASN H . 10058 1 1117 . 1 1 93 93 ASN HA H 1 4.794 0.030 . 1 . . . . 93 ASN HA . 10058 1 1118 . 1 1 93 93 ASN HB2 H 1 2.923 0.030 . 1 . . . . 93 ASN HB2 . 10058 1 1119 . 1 1 93 93 ASN HB3 H 1 2.923 0.030 . 1 . . . . 93 ASN HB3 . 10058 1 1120 . 1 1 93 93 ASN HD21 H 1 6.703 0.030 . 2 . . . . 93 ASN HD21 . 10058 1 1121 . 1 1 93 93 ASN HD22 H 1 7.546 0.030 . 2 . . . . 93 ASN HD22 . 10058 1 1122 . 1 1 93 93 ASN C C 13 176.241 0.300 . 1 . . . . 93 ASN C . 10058 1 1123 . 1 1 93 93 ASN CA C 13 52.961 0.300 . 1 . . . . 93 ASN CA . 10058 1 1124 . 1 1 93 93 ASN CB C 13 38.762 0.300 . 1 . . . . 93 ASN CB . 10058 1 1125 . 1 1 93 93 ASN N N 15 115.612 0.300 . 1 . . . . 93 ASN N . 10058 1 1126 . 1 1 93 93 ASN ND2 N 15 110.641 0.300 . 1 . . . . 93 ASN ND2 . 10058 1 1127 . 1 1 94 94 GLY H H 1 7.824 0.030 . 1 . . . . 94 GLY H . 10058 1 1128 . 1 1 94 94 GLY HA2 H 1 4.014 0.030 . 2 . . . . 94 GLY HA2 . 10058 1 1129 . 1 1 94 94 GLY HA3 H 1 4.165 0.030 . 2 . . . . 94 GLY HA3 . 10058 1 1130 . 1 1 94 94 GLY C C 13 175.290 0.300 . 1 . . . . 94 GLY C . 10058 1 1131 . 1 1 94 94 GLY CA C 13 46.711 0.300 . 1 . . . . 94 GLY CA . 10058 1 1132 . 1 1 94 94 GLY N N 15 108.337 0.300 . 1 . . . . 94 GLY N . 10058 1 1133 . 1 1 95 95 GLU H H 1 8.541 0.030 . 1 . . . . 95 GLU H . 10058 1 1134 . 1 1 95 95 GLU HA H 1 4.313 0.030 . 1 . . . . 95 GLU HA . 10058 1 1135 . 1 1 95 95 GLU HB2 H 1 1.887 0.030 . 2 . . . . 95 GLU HB2 . 10058 1 1136 . 1 1 95 95 GLU HB3 H 1 2.255 0.030 . 2 . . . . 95 GLU HB3 . 10058 1 1137 . 1 1 95 95 GLU HG2 H 1 2.183 0.030 . 1 . . . . 95 GLU HG2 . 10058 1 1138 . 1 1 95 95 GLU HG3 H 1 2.183 0.030 . 1 . . . . 95 GLU HG3 . 10058 1 1139 . 1 1 95 95 GLU C C 13 176.699 0.300 . 1 . . . . 95 GLU C . 10058 1 1140 . 1 1 95 95 GLU CA C 13 56.111 0.300 . 1 . . . . 95 GLU CA . 10058 1 1141 . 1 1 95 95 GLU CB C 13 32.059 0.300 . 1 . . . . 95 GLU CB . 10058 1 1142 . 1 1 95 95 GLU CG C 13 36.206 0.300 . 1 . . . . 95 GLU CG . 10058 1 1143 . 1 1 95 95 GLU N N 15 118.396 0.300 . 1 . . . . 95 GLU N . 10058 1 1144 . 1 1 96 96 LEU H H 1 7.406 0.030 . 1 . . . . 96 LEU H . 10058 1 1145 . 1 1 96 96 LEU HA H 1 3.965 0.030 . 1 . . . . 96 LEU HA . 10058 1 1146 . 1 1 96 96 LEU HB2 H 1 1.802 0.030 . 2 . . . . 96 LEU HB2 . 10058 1 1147 . 1 1 96 96 LEU HB3 H 1 1.100 0.030 . 2 . . . . 96 LEU HB3 . 10058 1 1148 . 1 1 96 96 LEU HG H 1 1.430 0.030 . 1 . . . . 96 LEU HG . 10058 1 1149 . 1 1 96 96 LEU HD11 H 1 0.802 0.030 . 1 . . . . 96 LEU HD1 . 10058 1 1150 . 1 1 96 96 LEU HD12 H 1 0.802 0.030 . 1 . . . . 96 LEU HD1 . 10058 1 1151 . 1 1 96 96 LEU HD13 H 1 0.802 0.030 . 1 . . . . 96 LEU HD1 . 10058 1 1152 . 1 1 96 96 LEU HD21 H 1 0.691 0.030 . 1 . . . . 96 LEU HD2 . 10058 1 1153 . 1 1 96 96 LEU HD22 H 1 0.691 0.030 . 1 . . . . 96 LEU HD2 . 10058 1 1154 . 1 1 96 96 LEU HD23 H 1 0.691 0.030 . 1 . . . . 96 LEU HD2 . 10058 1 1155 . 1 1 96 96 LEU C C 13 176.902 0.300 . 1 . . . . 96 LEU C . 10058 1 1156 . 1 1 96 96 LEU CA C 13 57.821 0.300 . 1 . . . . 96 LEU CA . 10058 1 1157 . 1 1 96 96 LEU CB C 13 41.221 0.300 . 1 . . . . 96 LEU CB . 10058 1 1158 . 1 1 96 96 LEU CG C 13 27.082 0.300 . 1 . . . . 96 LEU CG . 10058 1 1159 . 1 1 96 96 LEU CD1 C 13 21.829 0.300 . 2 . . . . 96 LEU CD1 . 10058 1 1160 . 1 1 96 96 LEU CD2 C 13 27.097 0.300 . 2 . . . . 96 LEU CD2 . 10058 1 1161 . 1 1 96 96 LEU N N 15 121.138 0.300 . 1 . . . . 96 LEU N . 10058 1 1162 . 1 1 97 97 LEU H H 1 8.841 0.030 . 1 . . . . 97 LEU H . 10058 1 1163 . 1 1 97 97 LEU HA H 1 4.099 0.030 . 1 . . . . 97 LEU HA . 10058 1 1164 . 1 1 97 97 LEU HB2 H 1 1.783 0.030 . 1 . . . . 97 LEU HB2 . 10058 1 1165 . 1 1 97 97 LEU HB3 H 1 1.783 0.030 . 1 . . . . 97 LEU HB3 . 10058 1 1166 . 1 1 97 97 LEU HG H 1 1.682 0.030 . 1 . . . . 97 LEU HG . 10058 1 1167 . 1 1 97 97 LEU HD11 H 1 0.952 0.030 . 1 . . . . 97 LEU HD1 . 10058 1 1168 . 1 1 97 97 LEU HD12 H 1 0.952 0.030 . 1 . . . . 97 LEU HD1 . 10058 1 1169 . 1 1 97 97 LEU HD13 H 1 0.952 0.030 . 1 . . . . 97 LEU HD1 . 10058 1 1170 . 1 1 97 97 LEU HD21 H 1 0.990 0.030 . 1 . . . . 97 LEU HD2 . 10058 1 1171 . 1 1 97 97 LEU HD22 H 1 0.990 0.030 . 1 . . . . 97 LEU HD2 . 10058 1 1172 . 1 1 97 97 LEU HD23 H 1 0.990 0.030 . 1 . . . . 97 LEU HD2 . 10058 1 1173 . 1 1 97 97 LEU C C 13 175.841 0.300 . 1 . . . . 97 LEU C . 10058 1 1174 . 1 1 97 97 LEU CA C 13 59.982 0.300 . 1 . . . . 97 LEU CA . 10058 1 1175 . 1 1 97 97 LEU CB C 13 38.694 0.300 . 1 . . . . 97 LEU CB . 10058 1 1176 . 1 1 97 97 LEU CG C 13 27.926 0.300 . 1 . . . . 97 LEU CG . 10058 1 1177 . 1 1 97 97 LEU CD1 C 13 24.594 0.300 . 2 . . . . 97 LEU CD1 . 10058 1 1178 . 1 1 97 97 LEU CD2 C 13 24.332 0.300 . 2 . . . . 97 LEU CD2 . 10058 1 1179 . 1 1 97 97 LEU N N 15 119.615 0.300 . 1 . . . . 97 LEU N . 10058 1 1180 . 1 1 98 98 PRO HA H 1 4.206 0.030 . 1 . . . . 98 PRO HA . 10058 1 1181 . 1 1 98 98 PRO HB2 H 1 1.833 0.030 . 2 . . . . 98 PRO HB2 . 10058 1 1182 . 1 1 98 98 PRO HB3 H 1 2.257 0.030 . 2 . . . . 98 PRO HB3 . 10058 1 1183 . 1 1 98 98 PRO HG2 H 1 1.936 0.030 . 2 . . . . 98 PRO HG2 . 10058 1 1184 . 1 1 98 98 PRO HG3 H 1 2.156 0.030 . 2 . . . . 98 PRO HG3 . 10058 1 1185 . 1 1 98 98 PRO HD2 H 1 3.445 0.030 . 2 . . . . 98 PRO HD2 . 10058 1 1186 . 1 1 98 98 PRO HD3 H 1 3.551 0.030 . 2 . . . . 98 PRO HD3 . 10058 1 1187 . 1 1 98 98 PRO C C 13 179.735 0.300 . 1 . . . . 98 PRO C . 10058 1 1188 . 1 1 98 98 PRO CA C 13 66.402 0.300 . 1 . . . . 98 PRO CA . 10058 1 1189 . 1 1 98 98 PRO CB C 13 30.944 0.300 . 1 . . . . 98 PRO CB . 10058 1 1190 . 1 1 98 98 PRO CG C 13 27.889 0.300 . 1 . . . . 98 PRO CG . 10058 1 1191 . 1 1 98 98 PRO CD C 13 49.510 0.300 . 1 . . . . 98 PRO CD . 10058 1 1192 . 1 1 99 99 ILE H H 1 7.133 0.030 . 1 . . . . 99 ILE H . 10058 1 1193 . 1 1 99 99 ILE HA H 1 3.930 0.030 . 1 . . . . 99 ILE HA . 10058 1 1194 . 1 1 99 99 ILE HB H 1 2.088 0.030 . 1 . . . . 99 ILE HB . 10058 1 1195 . 1 1 99 99 ILE HG12 H 1 1.743 0.030 . 2 . . . . 99 ILE HG12 . 10058 1 1196 . 1 1 99 99 ILE HG13 H 1 1.184 0.030 . 2 . . . . 99 ILE HG13 . 10058 1 1197 . 1 1 99 99 ILE HG21 H 1 0.848 0.030 . 1 . . . . 99 ILE HG2 . 10058 1 1198 . 1 1 99 99 ILE HG22 H 1 0.848 0.030 . 1 . . . . 99 ILE HG2 . 10058 1 1199 . 1 1 99 99 ILE HG23 H 1 0.848 0.030 . 1 . . . . 99 ILE HG2 . 10058 1 1200 . 1 1 99 99 ILE HD11 H 1 0.859 0.030 . 1 . . . . 99 ILE HD1 . 10058 1 1201 . 1 1 99 99 ILE HD12 H 1 0.859 0.030 . 1 . . . . 99 ILE HD1 . 10058 1 1202 . 1 1 99 99 ILE HD13 H 1 0.859 0.030 . 1 . . . . 99 ILE HD1 . 10058 1 1203 . 1 1 99 99 ILE C C 13 179.028 0.300 . 1 . . . . 99 ILE C . 10058 1 1204 . 1 1 99 99 ILE CA C 13 64.372 0.300 . 1 . . . . 99 ILE CA . 10058 1 1205 . 1 1 99 99 ILE CB C 13 38.137 0.300 . 1 . . . . 99 ILE CB . 10058 1 1206 . 1 1 99 99 ILE CG1 C 13 29.309 0.300 . 1 . . . . 99 ILE CG1 . 10058 1 1207 . 1 1 99 99 ILE CG2 C 13 16.534 0.300 . 1 . . . . 99 ILE CG2 . 10058 1 1208 . 1 1 99 99 ILE CD1 C 13 14.089 0.300 . 1 . . . . 99 ILE CD1 . 10058 1 1209 . 1 1 99 99 ILE N N 15 117.634 0.300 . 1 . . . . 99 ILE N . 10058 1 1210 . 1 1 100 100 LEU H H 1 8.416 0.030 . 1 . . . . 100 LEU H . 10058 1 1211 . 1 1 100 100 LEU HA H 1 3.968 0.030 . 1 . . . . 100 LEU HA . 10058 1 1212 . 1 1 100 100 LEU HB2 H 1 1.432 0.030 . 2 . . . . 100 LEU HB2 . 10058 1 1213 . 1 1 100 100 LEU HB3 H 1 2.083 0.030 . 2 . . . . 100 LEU HB3 . 10058 1 1214 . 1 1 100 100 LEU HG H 1 1.967 0.030 . 1 . . . . 100 LEU HG . 10058 1 1215 . 1 1 100 100 LEU HD11 H 1 0.751 0.030 . 1 . . . . 100 LEU HD1 . 10058 1 1216 . 1 1 100 100 LEU HD12 H 1 0.751 0.030 . 1 . . . . 100 LEU HD1 . 10058 1 1217 . 1 1 100 100 LEU HD13 H 1 0.751 0.030 . 1 . . . . 100 LEU HD1 . 10058 1 1218 . 1 1 100 100 LEU HD21 H 1 0.819 0.030 . 1 . . . . 100 LEU HD2 . 10058 1 1219 . 1 1 100 100 LEU HD22 H 1 0.819 0.030 . 1 . . . . 100 LEU HD2 . 10058 1 1220 . 1 1 100 100 LEU HD23 H 1 0.819 0.030 . 1 . . . . 100 LEU HD2 . 10058 1 1221 . 1 1 100 100 LEU C C 13 178.862 0.300 . 1 . . . . 100 LEU C . 10058 1 1222 . 1 1 100 100 LEU CA C 13 58.159 0.300 . 1 . . . . 100 LEU CA . 10058 1 1223 . 1 1 100 100 LEU CB C 13 42.012 0.300 . 1 . . . . 100 LEU CB . 10058 1 1224 . 1 1 100 100 LEU CG C 13 26.238 0.300 . 1 . . . . 100 LEU CG . 10058 1 1225 . 1 1 100 100 LEU CD1 C 13 23.038 0.300 . 2 . . . . 100 LEU CD1 . 10058 1 1226 . 1 1 100 100 LEU CD2 C 13 27.373 0.300 . 2 . . . . 100 LEU CD2 . 10058 1 1227 . 1 1 100 100 LEU N N 15 119.462 0.300 . 1 . . . . 100 LEU N . 10058 1 1228 . 1 1 101 101 LYS H H 1 8.374 0.030 . 1 . . . . 101 LYS H . 10058 1 1229 . 1 1 101 101 LYS HA H 1 4.147 0.030 . 1 . . . . 101 LYS HA . 10058 1 1230 . 1 1 101 101 LYS HB2 H 1 1.923 0.030 . 2 . . . . 101 LYS HB2 . 10058 1 1231 . 1 1 101 101 LYS HB3 H 1 1.698 0.030 . 2 . . . . 101 LYS HB3 . 10058 1 1232 . 1 1 101 101 LYS HG2 H 1 1.397 0.030 . 2 . . . . 101 LYS HG2 . 10058 1 1233 . 1 1 101 101 LYS HG3 H 1 1.578 0.030 . 2 . . . . 101 LYS HG3 . 10058 1 1234 . 1 1 101 101 LYS HD2 H 1 1.624 0.030 . 1 . . . . 101 LYS HD2 . 10058 1 1235 . 1 1 101 101 LYS HD3 H 1 1.624 0.030 . 1 . . . . 101 LYS HD3 . 10058 1 1236 . 1 1 101 101 LYS HE2 H 1 2.906 0.030 . 1 . . . . 101 LYS HE2 . 10058 1 1237 . 1 1 101 101 LYS HE3 H 1 2.906 0.030 . 1 . . . . 101 LYS HE3 . 10058 1 1238 . 1 1 101 101 LYS C C 13 177.642 0.300 . 1 . . . . 101 LYS C . 10058 1 1239 . 1 1 101 101 LYS CA C 13 57.416 0.300 . 1 . . . . 101 LYS CA . 10058 1 1240 . 1 1 101 101 LYS CB C 13 33.227 0.300 . 1 . . . . 101 LYS CB . 10058 1 1241 . 1 1 101 101 LYS CG C 13 25.424 0.300 . 1 . . . . 101 LYS CG . 10058 1 1242 . 1 1 101 101 LYS CD C 13 29.039 0.300 . 1 . . . . 101 LYS CD . 10058 1 1243 . 1 1 101 101 LYS CE C 13 41.782 0.300 . 1 . . . . 101 LYS CE . 10058 1 1244 . 1 1 101 101 LYS N N 15 115.043 0.300 . 1 . . . . 101 LYS N . 10058 1 1245 . 1 1 102 102 GLY H H 1 7.801 0.030 . 1 . . . . 102 GLY H . 10058 1 1246 . 1 1 102 102 GLY HA2 H 1 3.860 0.030 . 2 . . . . 102 GLY HA2 . 10058 1 1247 . 1 1 102 102 GLY HA3 H 1 3.965 0.030 . 2 . . . . 102 GLY HA3 . 10058 1 1248 . 1 1 102 102 GLY C C 13 174.298 0.300 . 1 . . . . 102 GLY C . 10058 1 1249 . 1 1 102 102 GLY CA C 13 45.934 0.300 . 1 . . . . 102 GLY CA . 10058 1 1250 . 1 1 102 102 GLY N N 15 108.032 0.300 . 1 . . . . 102 GLY N . 10058 1 1251 . 1 1 103 103 GLU H H 1 8.323 0.030 . 1 . . . . 103 GLU H . 10058 1 1252 . 1 1 103 103 GLU HA H 1 4.340 0.030 . 1 . . . . 103 GLU HA . 10058 1 1253 . 1 1 103 103 GLU HB2 H 1 1.819 0.030 . 2 . . . . 103 GLU HB2 . 10058 1 1254 . 1 1 103 103 GLU HB3 H 1 2.095 0.030 . 2 . . . . 103 GLU HB3 . 10058 1 1255 . 1 1 103 103 GLU HG2 H 1 2.149 0.030 . 2 . . . . 103 GLU HG2 . 10058 1 1256 . 1 1 103 103 GLU HG3 H 1 2.259 0.030 . 2 . . . . 103 GLU HG3 . 10058 1 1257 . 1 1 103 103 GLU C C 13 176.238 0.300 . 1 . . . . 103 GLU C . 10058 1 1258 . 1 1 103 103 GLU CA C 13 56.127 0.300 . 1 . . . . 103 GLU CA . 10058 1 1259 . 1 1 103 103 GLU CB C 13 30.949 0.300 . 1 . . . . 103 GLU CB . 10058 1 1260 . 1 1 103 103 GLU CG C 13 36.438 0.300 . 1 . . . . 103 GLU CG . 10058 1 1261 . 1 1 103 103 GLU N N 15 119.615 0.300 . 1 . . . . 103 GLU N . 10058 1 1262 . 1 1 104 104 SER H H 1 8.196 0.030 . 1 . . . . 104 SER H . 10058 1 1263 . 1 1 104 104 SER HA H 1 4.419 0.030 . 1 . . . . 104 SER HA . 10058 1 1264 . 1 1 104 104 SER HB2 H 1 3.786 0.030 . 1 . . . . 104 SER HB2 . 10058 1 1265 . 1 1 104 104 SER HB3 H 1 3.786 0.030 . 1 . . . . 104 SER HB3 . 10058 1 1266 . 1 1 104 104 SER C C 13 174.370 0.300 . 1 . . . . 104 SER C . 10058 1 1267 . 1 1 104 104 SER CA C 13 58.203 0.300 . 1 . . . . 104 SER CA . 10058 1 1268 . 1 1 104 104 SER CB C 13 64.201 0.300 . 1 . . . . 104 SER CB . 10058 1 1269 . 1 1 104 104 SER N N 15 115.957 0.300 . 1 . . . . 104 SER N . 10058 1 1270 . 1 1 106 106 PRO C C 13 177.353 0.300 . 1 . . . . 106 PRO C . 10058 1 1271 . 1 1 106 106 PRO CA C 13 63.244 0.300 . 1 . . . . 106 PRO CA . 10058 1 1272 . 1 1 106 106 PRO CB C 13 32.273 0.300 . 1 . . . . 106 PRO CB . 10058 1 1273 . 1 1 107 107 SER H H 1 8.565 0.030 . 1 . . . . 107 SER H . 10058 1 1274 . 1 1 107 107 SER C C 13 174.728 0.300 . 1 . . . . 107 SER C . 10058 1 1275 . 1 1 107 107 SER CA C 13 58.519 0.300 . 1 . . . . 107 SER CA . 10058 1 1276 . 1 1 107 107 SER CB C 13 63.993 0.300 . 1 . . . . 107 SER CB . 10058 1 1277 . 1 1 107 107 SER N N 15 116.473 0.300 . 1 . . . . 107 SER N . 10058 1 stop_ save_