data_10054 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10054 _Entry.Title ; Solution structure of the first cold-shock domain of the human KIAA0885 protein (UNR 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 A. Goroncy . . . 10054 2 T. Kigawa . . . 10054 3 S. Koshiba . . . 10054 4 T. Tomizawa . . . 10054 5 N. Kobayashi . . . 10054 6 N. Tochio . . . 10054 7 M. Inoue . . . 10054 8 S. Yokoyama . . . 10054 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' . 10054 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10054 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 377 10054 '15N chemical shifts' 96 10054 '1H chemical shifts' 589 10054 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 . 10054 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WFQ 'BMRB Entry Tracking System' 10054 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10054 _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 first cold-shock domain of the human KIAA0885 protein (UNR 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 A. Goroncy . . . 10054 1 2 T. Kigawa . . . 10054 1 3 S. Koshiba . . . 10054 1 4 T. Tomizawa . . . 10054 1 5 N. Kobayashi . . . 10054 1 6 N. Tochio . . . 10054 1 7 M. Inoue . . . 10054 1 8 S. Yokoyama . . . 10054 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10054 _Assembly.ID 1 _Assembly.Name 'UNR protein' _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' 10054 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 'UNR protein' 1 $entity_1 . . yes native no no . . . 10054 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 1WFQ . . . . . . 10054 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10054 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'First cold-shock 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 ; GSSGSSGGYPNGTSAALRET GVIEKLLTSYGFIQCSERQA RLFFHCSQYNGNLQDLKVGD DVEFEVSSDRRTGKPIAVKL VKISGPSSG ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WFQ . "Solution Structure Of The First Cold-Shock Domain Of The Human Kiaa0885 Protein (Unr Protein)" . . . . . 100.00 89 100.00 100.00 1.90e-56 . . . . 10054 1 2 no DBJ BAE01840 . "unnamed protein product [Macaca fascicularis]" . . . . . 58.43 86 100.00 100.00 3.55e-29 . . . . 10054 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'First cold-shock domain' . 10054 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 . 10054 1 2 . SER . 10054 1 3 . SER . 10054 1 4 . GLY . 10054 1 5 . SER . 10054 1 6 . SER . 10054 1 7 . GLY . 10054 1 8 . GLY . 10054 1 9 . TYR . 10054 1 10 . PRO . 10054 1 11 . ASN . 10054 1 12 . GLY . 10054 1 13 . THR . 10054 1 14 . SER . 10054 1 15 . ALA . 10054 1 16 . ALA . 10054 1 17 . LEU . 10054 1 18 . ARG . 10054 1 19 . GLU . 10054 1 20 . THR . 10054 1 21 . GLY . 10054 1 22 . VAL . 10054 1 23 . ILE . 10054 1 24 . GLU . 10054 1 25 . LYS . 10054 1 26 . LEU . 10054 1 27 . LEU . 10054 1 28 . THR . 10054 1 29 . SER . 10054 1 30 . TYR . 10054 1 31 . GLY . 10054 1 32 . PHE . 10054 1 33 . ILE . 10054 1 34 . GLN . 10054 1 35 . CYS . 10054 1 36 . SER . 10054 1 37 . GLU . 10054 1 38 . ARG . 10054 1 39 . GLN . 10054 1 40 . ALA . 10054 1 41 . ARG . 10054 1 42 . LEU . 10054 1 43 . PHE . 10054 1 44 . PHE . 10054 1 45 . HIS . 10054 1 46 . CYS . 10054 1 47 . SER . 10054 1 48 . GLN . 10054 1 49 . TYR . 10054 1 50 . ASN . 10054 1 51 . GLY . 10054 1 52 . ASN . 10054 1 53 . LEU . 10054 1 54 . GLN . 10054 1 55 . ASP . 10054 1 56 . LEU . 10054 1 57 . LYS . 10054 1 58 . VAL . 10054 1 59 . GLY . 10054 1 60 . ASP . 10054 1 61 . ASP . 10054 1 62 . VAL . 10054 1 63 . GLU . 10054 1 64 . PHE . 10054 1 65 . GLU . 10054 1 66 . VAL . 10054 1 67 . SER . 10054 1 68 . SER . 10054 1 69 . ASP . 10054 1 70 . ARG . 10054 1 71 . ARG . 10054 1 72 . THR . 10054 1 73 . GLY . 10054 1 74 . LYS . 10054 1 75 . PRO . 10054 1 76 . ILE . 10054 1 77 . ALA . 10054 1 78 . VAL . 10054 1 79 . LYS . 10054 1 80 . LEU . 10054 1 81 . VAL . 10054 1 82 . LYS . 10054 1 83 . ILE . 10054 1 84 . SER . 10054 1 85 . GLY . 10054 1 86 . PRO . 10054 1 87 . SER . 10054 1 88 . SER . 10054 1 89 . GLY . 10054 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 10054 1 . SER 2 2 10054 1 . SER 3 3 10054 1 . GLY 4 4 10054 1 . SER 5 5 10054 1 . SER 6 6 10054 1 . GLY 7 7 10054 1 . GLY 8 8 10054 1 . TYR 9 9 10054 1 . PRO 10 10 10054 1 . ASN 11 11 10054 1 . GLY 12 12 10054 1 . THR 13 13 10054 1 . SER 14 14 10054 1 . ALA 15 15 10054 1 . ALA 16 16 10054 1 . LEU 17 17 10054 1 . ARG 18 18 10054 1 . GLU 19 19 10054 1 . THR 20 20 10054 1 . GLY 21 21 10054 1 . VAL 22 22 10054 1 . ILE 23 23 10054 1 . GLU 24 24 10054 1 . LYS 25 25 10054 1 . LEU 26 26 10054 1 . LEU 27 27 10054 1 . THR 28 28 10054 1 . SER 29 29 10054 1 . TYR 30 30 10054 1 . GLY 31 31 10054 1 . PHE 32 32 10054 1 . ILE 33 33 10054 1 . GLN 34 34 10054 1 . CYS 35 35 10054 1 . SER 36 36 10054 1 . GLU 37 37 10054 1 . ARG 38 38 10054 1 . GLN 39 39 10054 1 . ALA 40 40 10054 1 . ARG 41 41 10054 1 . LEU 42 42 10054 1 . PHE 43 43 10054 1 . PHE 44 44 10054 1 . HIS 45 45 10054 1 . CYS 46 46 10054 1 . SER 47 47 10054 1 . GLN 48 48 10054 1 . TYR 49 49 10054 1 . ASN 50 50 10054 1 . GLY 51 51 10054 1 . ASN 52 52 10054 1 . LEU 53 53 10054 1 . GLN 54 54 10054 1 . ASP 55 55 10054 1 . LEU 56 56 10054 1 . LYS 57 57 10054 1 . VAL 58 58 10054 1 . GLY 59 59 10054 1 . ASP 60 60 10054 1 . ASP 61 61 10054 1 . VAL 62 62 10054 1 . GLU 63 63 10054 1 . PHE 64 64 10054 1 . GLU 65 65 10054 1 . VAL 66 66 10054 1 . SER 67 67 10054 1 . SER 68 68 10054 1 . ASP 69 69 10054 1 . ARG 70 70 10054 1 . ARG 71 71 10054 1 . THR 72 72 10054 1 . GLY 73 73 10054 1 . LYS 74 74 10054 1 . PRO 75 75 10054 1 . ILE 76 76 10054 1 . ALA 77 77 10054 1 . VAL 78 78 10054 1 . LYS 79 79 10054 1 . LEU 80 80 10054 1 . VAL 81 81 10054 1 . LYS 82 82 10054 1 . ILE 83 83 10054 1 . SER 84 84 10054 1 . GLY 85 85 10054 1 . PRO 86 86 10054 1 . SER 87 87 10054 1 . SER 88 88 10054 1 . GLY 89 89 10054 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 10054 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10054 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 10054 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P040114-45 . . . . . . 10054 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10054 _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 'cold-shock domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.09 . . mM . . . . 10054 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10054 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10054 1 4 NaN3 . . . . . . . 0.02 . . % . . . . 10054 1 5 H2O . . . . . . solvent 90 . . % . . . . 10054 1 6 D2O . . . . . . solvent 10 . . % . . . . 10054 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 10054 _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 10054 1 pH 6.0 0.05 pH 10054 1 pressure 1 0.001 atm 10054 1 temperature 298 0.1 K 10054 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10054 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUKER . . 10054 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10054 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10054 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'DELAGLIO, FRANK' . . 10054 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10054 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10054 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.14 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'JOHNSON, BRUCE, A.' . . 10054 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10054 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10054 _Software.ID 4 _Software.Name Kujira _Software.Version 0.899 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'KOBAYASHI, NAOHIRO' . . 10054 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10054 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10054 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'GUENTERT, P.' . . 10054 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10054 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 10054 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 10054 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10054 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10054 1 stop_ save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10054 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10054 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10054 _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 . . . . . . . . . 10054 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10054 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10054 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 10054 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10054 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10054 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.928 0.030 . 1 . . . . 1 GLY HA2 . 10054 1 2 . 1 1 1 1 GLY HA3 H 1 3.928 0.030 . 1 . . . . 1 GLY HA3 . 10054 1 3 . 1 1 1 1 GLY CA C 13 43.484 0.300 . 1 . . . . 1 GLY CA . 10054 1 4 . 1 1 2 2 SER HA H 1 4.496 0.030 . 1 . . . . 2 SER HA . 10054 1 5 . 1 1 2 2 SER HB2 H 1 3.926 0.030 . 1 . . . . 2 SER HB2 . 10054 1 6 . 1 1 2 2 SER HB3 H 1 3.926 0.030 . 1 . . . . 2 SER HB3 . 10054 1 7 . 1 1 2 2 SER C C 13 174.723 0.300 . 1 . . . . 2 SER C . 10054 1 8 . 1 1 2 2 SER CA C 13 58.418 0.300 . 1 . . . . 2 SER CA . 10054 1 9 . 1 1 2 2 SER CB C 13 63.861 0.300 . 1 . . . . 2 SER CB . 10054 1 10 . 1 1 3 3 SER H H 1 8.362 0.030 . 1 . . . . 3 SER H . 10054 1 11 . 1 1 3 3 SER HA H 1 4.473 0.030 . 1 . . . . 3 SER HA . 10054 1 12 . 1 1 3 3 SER C C 13 173.992 0.300 . 1 . . . . 3 SER C . 10054 1 13 . 1 1 3 3 SER CA C 13 58.418 0.300 . 1 . . . . 3 SER CA . 10054 1 14 . 1 1 3 3 SER CB C 13 64.035 0.300 . 1 . . . . 3 SER CB . 10054 1 15 . 1 1 3 3 SER N N 15 117.970 0.300 . 1 . . . . 3 SER N . 10054 1 16 . 1 1 4 4 GLY H H 1 7.733 0.030 . 1 . . . . 4 GLY H . 10054 1 17 . 1 1 4 4 GLY HA2 H 1 4.042 0.030 . 1 . . . . 4 GLY HA2 . 10054 1 18 . 1 1 4 4 GLY HA3 H 1 4.042 0.030 . 1 . . . . 4 GLY HA3 . 10054 1 19 . 1 1 4 4 GLY C C 13 174.433 0.300 . 1 . . . . 4 GLY C . 10054 1 20 . 1 1 4 4 GLY CA C 13 45.788 0.300 . 1 . . . . 4 GLY CA . 10054 1 21 . 1 1 4 4 GLY N N 15 116.838 0.300 . 1 . . . . 4 GLY N . 10054 1 22 . 1 1 5 5 SER H H 1 8.109 0.030 . 1 . . . . 5 SER H . 10054 1 23 . 1 1 5 5 SER HA H 1 4.428 0.030 . 1 . . . . 5 SER HA . 10054 1 24 . 1 1 5 5 SER HB2 H 1 4.274 0.030 . 1 . . . . 5 SER HB2 . 10054 1 25 . 1 1 5 5 SER HB3 H 1 4.274 0.030 . 1 . . . . 5 SER HB3 . 10054 1 26 . 1 1 5 5 SER C C 13 174.624 0.300 . 1 . . . . 5 SER C . 10054 1 27 . 1 1 5 5 SER CA C 13 61.849 0.300 . 1 . . . . 5 SER CA . 10054 1 28 . 1 1 5 5 SER CB C 13 70.040 0.300 . 1 . . . . 5 SER CB . 10054 1 29 . 1 1 5 5 SER N N 15 113.442 0.300 . 1 . . . . 5 SER N . 10054 1 30 . 1 1 6 6 SER H H 1 8.363 0.030 . 1 . . . . 6 SER H . 10054 1 31 . 1 1 6 6 SER HA H 1 4.519 0.030 . 1 . . . . 6 SER HA . 10054 1 32 . 1 1 6 6 SER HB2 H 1 3.875 0.030 . 1 . . . . 6 SER HB2 . 10054 1 33 . 1 1 6 6 SER HB3 H 1 3.875 0.030 . 1 . . . . 6 SER HB3 . 10054 1 34 . 1 1 6 6 SER C C 13 174.974 0.300 . 1 . . . . 6 SER C . 10054 1 35 . 1 1 6 6 SER CA C 13 58.453 0.300 . 1 . . . . 6 SER CA . 10054 1 36 . 1 1 6 6 SER CB C 13 63.748 0.300 . 1 . . . . 6 SER CB . 10054 1 37 . 1 1 6 6 SER N N 15 118.145 0.300 . 1 . . . . 6 SER N . 10054 1 38 . 1 1 7 7 GLY H H 1 8.483 0.030 . 1 . . . . 7 GLY H . 10054 1 39 . 1 1 7 7 GLY HA2 H 1 3.970 0.030 . 1 . . . . 7 GLY HA2 . 10054 1 40 . 1 1 7 7 GLY HA3 H 1 3.970 0.030 . 1 . . . . 7 GLY HA3 . 10054 1 41 . 1 1 7 7 GLY C C 13 174.451 0.300 . 1 . . . . 7 GLY C . 10054 1 42 . 1 1 7 7 GLY CA C 13 45.416 0.300 . 1 . . . . 7 GLY CA . 10054 1 43 . 1 1 7 7 GLY N N 15 111.063 0.300 . 1 . . . . 7 GLY N . 10054 1 44 . 1 1 8 8 GLY H H 1 8.161 0.030 . 1 . . . . 8 GLY H . 10054 1 45 . 1 1 8 8 GLY HA2 H 1 3.869 0.030 . 1 . . . . 8 GLY HA2 . 10054 1 46 . 1 1 8 8 GLY HA3 H 1 3.869 0.030 . 1 . . . . 8 GLY HA3 . 10054 1 47 . 1 1 8 8 GLY C C 13 173.490 0.300 . 1 . . . . 8 GLY C . 10054 1 48 . 1 1 8 8 GLY CA C 13 44.961 0.300 . 1 . . . . 8 GLY CA . 10054 1 49 . 1 1 8 8 GLY N N 15 108.266 0.300 . 1 . . . . 8 GLY N . 10054 1 50 . 1 1 9 9 TYR H H 1 8.103 0.030 . 1 . . . . 9 TYR H . 10054 1 51 . 1 1 9 9 TYR HA H 1 4.838 0.030 . 1 . . . . 9 TYR HA . 10054 1 52 . 1 1 9 9 TYR HB2 H 1 3.077 0.030 . 2 . . . . 9 TYR HB2 . 10054 1 53 . 1 1 9 9 TYR HB3 H 1 2.834 0.030 . 2 . . . . 9 TYR HB3 . 10054 1 54 . 1 1 9 9 TYR HD1 H 1 7.157 0.030 . 1 . . . . 9 TYR HD1 . 10054 1 55 . 1 1 9 9 TYR HD2 H 1 7.157 0.030 . 1 . . . . 9 TYR HD2 . 10054 1 56 . 1 1 9 9 TYR HE1 H 1 6.862 0.030 . 1 . . . . 9 TYR HE1 . 10054 1 57 . 1 1 9 9 TYR HE2 H 1 6.862 0.030 . 1 . . . . 9 TYR HE2 . 10054 1 58 . 1 1 9 9 TYR C C 13 174.454 0.300 . 1 . . . . 9 TYR C . 10054 1 59 . 1 1 9 9 TYR CA C 13 55.864 0.300 . 1 . . . . 9 TYR CA . 10054 1 60 . 1 1 9 9 TYR CB C 13 38.294 0.300 . 1 . . . . 9 TYR CB . 10054 1 61 . 1 1 9 9 TYR CD1 C 13 133.413 0.300 . 1 . . . . 9 TYR CD1 . 10054 1 62 . 1 1 9 9 TYR CD2 C 13 133.413 0.300 . 1 . . . . 9 TYR CD2 . 10054 1 63 . 1 1 9 9 TYR CE1 C 13 118.324 0.300 . 1 . . . . 9 TYR CE1 . 10054 1 64 . 1 1 9 9 TYR CE2 C 13 118.324 0.300 . 1 . . . . 9 TYR CE2 . 10054 1 65 . 1 1 9 9 TYR N N 15 120.720 0.300 . 1 . . . . 9 TYR N . 10054 1 66 . 1 1 10 10 PRO HA H 1 3.821 0.030 . 1 . . . . 10 PRO HA . 10054 1 67 . 1 1 10 10 PRO HB2 H 1 1.930 0.030 . 2 . . . . 10 PRO HB2 . 10054 1 68 . 1 1 10 10 PRO HB3 H 1 1.621 0.030 . 2 . . . . 10 PRO HB3 . 10054 1 69 . 1 1 10 10 PRO HG2 H 1 1.673 0.030 . 2 . . . . 10 PRO HG2 . 10054 1 70 . 1 1 10 10 PRO HG3 H 1 1.752 0.030 . 2 . . . . 10 PRO HG3 . 10054 1 71 . 1 1 10 10 PRO HD2 H 1 3.370 0.030 . 2 . . . . 10 PRO HD2 . 10054 1 72 . 1 1 10 10 PRO HD3 H 1 3.493 0.030 . 2 . . . . 10 PRO HD3 . 10054 1 73 . 1 1 10 10 PRO C C 13 175.904 0.300 . 1 . . . . 10 PRO C . 10054 1 74 . 1 1 10 10 PRO CA C 13 63.160 0.300 . 1 . . . . 10 PRO CA . 10054 1 75 . 1 1 10 10 PRO CB C 13 33.932 0.300 . 1 . . . . 10 PRO CB . 10054 1 76 . 1 1 10 10 PRO CG C 13 24.412 0.300 . 1 . . . . 10 PRO CG . 10054 1 77 . 1 1 10 10 PRO CD C 13 49.882 0.300 . 1 . . . . 10 PRO CD . 10054 1 78 . 1 1 11 11 ASN H H 1 8.623 0.030 . 1 . . . . 11 ASN H . 10054 1 79 . 1 1 11 11 ASN HA H 1 4.705 0.030 . 1 . . . . 11 ASN HA . 10054 1 80 . 1 1 11 11 ASN HB2 H 1 2.889 0.030 . 2 . . . . 11 ASN HB2 . 10054 1 81 . 1 1 11 11 ASN HB3 H 1 2.832 0.030 . 2 . . . . 11 ASN HB3 . 10054 1 82 . 1 1 11 11 ASN HD21 H 1 6.972 0.030 . 2 . . . . 11 ASN HD21 . 10054 1 83 . 1 1 11 11 ASN HD22 H 1 7.643 0.030 . 2 . . . . 11 ASN HD22 . 10054 1 84 . 1 1 11 11 ASN C C 13 175.798 0.300 . 1 . . . . 11 ASN C . 10054 1 85 . 1 1 11 11 ASN CA C 13 53.563 0.300 . 1 . . . . 11 ASN CA . 10054 1 86 . 1 1 11 11 ASN CB C 13 39.018 0.300 . 1 . . . . 11 ASN CB . 10054 1 87 . 1 1 11 11 ASN N N 15 120.910 0.300 . 1 . . . . 11 ASN N . 10054 1 88 . 1 1 11 11 ASN ND2 N 15 112.956 0.300 . 1 . . . . 11 ASN ND2 . 10054 1 89 . 1 1 12 12 GLY H H 1 8.393 0.030 . 1 . . . . 12 GLY H . 10054 1 90 . 1 1 12 12 GLY HA2 H 1 4.029 0.030 . 1 . . . . 12 GLY HA2 . 10054 1 91 . 1 1 12 12 GLY HA3 H 1 4.029 0.030 . 1 . . . . 12 GLY HA3 . 10054 1 92 . 1 1 12 12 GLY C C 13 174.409 0.300 . 1 . . . . 12 GLY C . 10054 1 93 . 1 1 12 12 GLY CA C 13 45.524 0.300 . 1 . . . . 12 GLY CA . 10054 1 94 . 1 1 12 12 GLY N N 15 109.460 0.300 . 1 . . . . 12 GLY N . 10054 1 95 . 1 1 13 13 THR H H 1 8.298 0.030 . 1 . . . . 13 THR H . 10054 1 96 . 1 1 13 13 THR HA H 1 4.554 0.030 . 1 . . . . 13 THR HA . 10054 1 97 . 1 1 13 13 THR HB H 1 3.914 0.030 . 1 . . . . 13 THR HB . 10054 1 98 . 1 1 13 13 THR HG21 H 1 1.204 0.030 . 1 . . . . 13 THR HG2 . 10054 1 99 . 1 1 13 13 THR HG22 H 1 1.204 0.030 . 1 . . . . 13 THR HG2 . 10054 1 100 . 1 1 13 13 THR HG23 H 1 1.204 0.030 . 1 . . . . 13 THR HG2 . 10054 1 101 . 1 1 13 13 THR C C 13 174.926 0.300 . 1 . . . . 13 THR C . 10054 1 102 . 1 1 13 13 THR CA C 13 58.295 0.300 . 1 . . . . 13 THR CA . 10054 1 103 . 1 1 13 13 THR CB C 13 63.959 0.300 . 1 . . . . 13 THR CB . 10054 1 104 . 1 1 13 13 THR CG2 C 13 21.515 0.300 . 1 . . . . 13 THR CG2 . 10054 1 105 . 1 1 13 13 THR N N 15 115.868 0.300 . 1 . . . . 13 THR N . 10054 1 106 . 1 1 14 14 SER H H 1 8.473 0.030 . 1 . . . . 14 SER H . 10054 1 107 . 1 1 14 14 SER HA H 1 4.448 0.030 . 1 . . . . 14 SER HA . 10054 1 108 . 1 1 14 14 SER HB2 H 1 3.869 0.030 . 1 . . . . 14 SER HB2 . 10054 1 109 . 1 1 14 14 SER HB3 H 1 3.869 0.030 . 1 . . . . 14 SER HB3 . 10054 1 110 . 1 1 14 14 SER C C 13 173.995 0.300 . 1 . . . . 14 SER C . 10054 1 111 . 1 1 14 14 SER CA C 13 58.330 0.300 . 1 . . . . 14 SER CA . 10054 1 112 . 1 1 14 14 SER CB C 13 63.884 0.300 . 1 . . . . 14 SER CB . 10054 1 113 . 1 1 14 14 SER N N 15 117.970 0.300 . 1 . . . . 14 SER N . 10054 1 114 . 1 1 15 15 ALA H H 1 8.261 0.030 . 1 . . . . 15 ALA H . 10054 1 115 . 1 1 15 15 ALA HA H 1 4.284 0.030 . 1 . . . . 15 ALA HA . 10054 1 116 . 1 1 15 15 ALA HB1 H 1 1.348 0.030 . 1 . . . . 15 ALA HB . 10054 1 117 . 1 1 15 15 ALA HB2 H 1 1.348 0.030 . 1 . . . . 15 ALA HB . 10054 1 118 . 1 1 15 15 ALA HB3 H 1 1.348 0.030 . 1 . . . . 15 ALA HB . 10054 1 119 . 1 1 15 15 ALA C C 13 177.142 0.300 . 1 . . . . 15 ALA C . 10054 1 120 . 1 1 15 15 ALA CA C 13 52.331 0.300 . 1 . . . . 15 ALA CA . 10054 1 121 . 1 1 15 15 ALA CB C 13 19.584 0.300 . 1 . . . . 15 ALA CB . 10054 1 122 . 1 1 15 15 ALA N N 15 126.057 0.300 . 1 . . . . 15 ALA N . 10054 1 123 . 1 1 16 16 ALA H H 1 8.168 0.030 . 1 . . . . 16 ALA H . 10054 1 124 . 1 1 16 16 ALA HA H 1 4.280 0.030 . 1 . . . . 16 ALA HA . 10054 1 125 . 1 1 16 16 ALA HB1 H 1 1.349 0.030 . 1 . . . . 16 ALA HB . 10054 1 126 . 1 1 16 16 ALA HB2 H 1 1.349 0.030 . 1 . . . . 16 ALA HB . 10054 1 127 . 1 1 16 16 ALA HB3 H 1 1.349 0.030 . 1 . . . . 16 ALA HB . 10054 1 128 . 1 1 16 16 ALA C C 13 177.223 0.300 . 1 . . . . 16 ALA C . 10054 1 129 . 1 1 16 16 ALA CA C 13 52.296 0.300 . 1 . . . . 16 ALA CA . 10054 1 130 . 1 1 16 16 ALA CB C 13 19.566 0.300 . 1 . . . . 16 ALA CB . 10054 1 131 . 1 1 16 16 ALA N N 15 123.469 0.300 . 1 . . . . 16 ALA N . 10054 1 132 . 1 1 17 17 LEU H H 1 8.290 0.030 . 1 . . . . 17 LEU H . 10054 1 133 . 1 1 17 17 LEU HA H 1 4.333 0.030 . 1 . . . . 17 LEU HA . 10054 1 134 . 1 1 17 17 LEU HB2 H 1 1.637 0.030 . 1 . . . . 17 LEU HB2 . 10054 1 135 . 1 1 17 17 LEU HB3 H 1 1.637 0.030 . 1 . . . . 17 LEU HB3 . 10054 1 136 . 1 1 17 17 LEU HG H 1 1.603 0.030 . 1 . . . . 17 LEU HG . 10054 1 137 . 1 1 17 17 LEU HD11 H 1 0.948 0.030 . 1 . . . . 17 LEU HD1 . 10054 1 138 . 1 1 17 17 LEU HD12 H 1 0.948 0.030 . 1 . . . . 17 LEU HD1 . 10054 1 139 . 1 1 17 17 LEU HD13 H 1 0.948 0.030 . 1 . . . . 17 LEU HD1 . 10054 1 140 . 1 1 17 17 LEU HD21 H 1 0.886 0.030 . 1 . . . . 17 LEU HD2 . 10054 1 141 . 1 1 17 17 LEU HD22 H 1 0.886 0.030 . 1 . . . . 17 LEU HD2 . 10054 1 142 . 1 1 17 17 LEU HD23 H 1 0.886 0.030 . 1 . . . . 17 LEU HD2 . 10054 1 143 . 1 1 17 17 LEU C C 13 176.611 0.300 . 1 . . . . 17 LEU C . 10054 1 144 . 1 1 17 17 LEU CA C 13 55.072 0.300 . 1 . . . . 17 LEU CA . 10054 1 145 . 1 1 17 17 LEU CB C 13 42.277 0.300 . 1 . . . . 17 LEU CB . 10054 1 146 . 1 1 17 17 LEU CG C 13 27.116 0.300 . 1 . . . . 17 LEU CG . 10054 1 147 . 1 1 17 17 LEU CD1 C 13 24.774 0.300 . 2 . . . . 17 LEU CD1 . 10054 1 148 . 1 1 17 17 LEU CD2 C 13 23.929 0.300 . 2 . . . . 17 LEU CD2 . 10054 1 149 . 1 1 17 17 LEU N N 15 122.504 0.300 . 1 . . . . 17 LEU N . 10054 1 150 . 1 1 18 18 ARG H H 1 8.099 0.030 . 1 . . . . 18 ARG H . 10054 1 151 . 1 1 18 18 ARG HA H 1 4.752 0.030 . 1 . . . . 18 ARG HA . 10054 1 152 . 1 1 18 18 ARG HB2 H 1 1.581 0.030 . 1 . . . . 18 ARG HB2 . 10054 1 153 . 1 1 18 18 ARG HB3 H 1 1.581 0.030 . 1 . . . . 18 ARG HB3 . 10054 1 154 . 1 1 18 18 ARG HG2 H 1 1.591 0.030 . 2 . . . . 18 ARG HG2 . 10054 1 155 . 1 1 18 18 ARG HG3 H 1 1.642 0.030 . 2 . . . . 18 ARG HG3 . 10054 1 156 . 1 1 18 18 ARG HD2 H 1 3.107 0.030 . 2 . . . . 18 ARG HD2 . 10054 1 157 . 1 1 18 18 ARG HD3 H 1 3.215 0.030 . 2 . . . . 18 ARG HD3 . 10054 1 158 . 1 1 18 18 ARG HE H 1 7.544 0.030 . 1 . . . . 18 ARG HE . 10054 1 159 . 1 1 18 18 ARG C C 13 175.644 0.300 . 1 . . . . 18 ARG C . 10054 1 160 . 1 1 18 18 ARG CA C 13 54.179 0.300 . 1 . . . . 18 ARG CA . 10054 1 161 . 1 1 18 18 ARG CB C 13 30.203 0.300 . 1 . . . . 18 ARG CB . 10054 1 162 . 1 1 18 18 ARG CG C 13 26.464 0.300 . 1 . . . . 18 ARG CG . 10054 1 163 . 1 1 18 18 ARG CD C 13 42.036 0.300 . 1 . . . . 18 ARG CD . 10054 1 164 . 1 1 18 18 ARG N N 15 121.882 0.300 . 1 . . . . 18 ARG N . 10054 1 165 . 1 1 18 18 ARG NE N 15 83.196 0.300 . 1 . . . . 18 ARG NE . 10054 1 166 . 1 1 19 19 GLU H H 1 8.687 0.030 . 1 . . . . 19 GLU H . 10054 1 167 . 1 1 19 19 GLU HA H 1 4.659 0.030 . 1 . . . . 19 GLU HA . 10054 1 168 . 1 1 19 19 GLU HB2 H 1 1.865 0.030 . 2 . . . . 19 GLU HB2 . 10054 1 169 . 1 1 19 19 GLU HB3 H 1 1.442 0.030 . 2 . . . . 19 GLU HB3 . 10054 1 170 . 1 1 19 19 GLU HG2 H 1 1.793 0.030 . 2 . . . . 19 GLU HG2 . 10054 1 171 . 1 1 19 19 GLU HG3 H 1 1.929 0.030 . 2 . . . . 19 GLU HG3 . 10054 1 172 . 1 1 19 19 GLU C C 13 173.414 0.300 . 1 . . . . 19 GLU C . 10054 1 173 . 1 1 19 19 GLU CA C 13 54.460 0.300 . 1 . . . . 19 GLU CA . 10054 1 174 . 1 1 19 19 GLU CB C 13 33.926 0.300 . 1 . . . . 19 GLU CB . 10054 1 175 . 1 1 19 19 GLU CG C 13 36.325 0.300 . 1 . . . . 19 GLU CG . 10054 1 176 . 1 1 19 19 GLU N N 15 121.687 0.300 . 1 . . . . 19 GLU N . 10054 1 177 . 1 1 20 20 THR H H 1 8.094 0.030 . 1 . . . . 20 THR H . 10054 1 178 . 1 1 20 20 THR HA H 1 5.510 0.030 . 1 . . . . 20 THR HA . 10054 1 179 . 1 1 20 20 THR HB H 1 4.369 0.030 . 1 . . . . 20 THR HB . 10054 1 180 . 1 1 20 20 THR HG21 H 1 1.155 0.030 . 1 . . . . 20 THR HG2 . 10054 1 181 . 1 1 20 20 THR HG22 H 1 1.155 0.030 . 1 . . . . 20 THR HG2 . 10054 1 182 . 1 1 20 20 THR HG23 H 1 1.155 0.030 . 1 . . . . 20 THR HG2 . 10054 1 183 . 1 1 20 20 THR C C 13 176.532 0.300 . 1 . . . . 20 THR C . 10054 1 184 . 1 1 20 20 THR CA C 13 60.142 0.300 . 1 . . . . 20 THR CA . 10054 1 185 . 1 1 20 20 THR CB C 13 73.058 0.300 . 1 . . . . 20 THR CB . 10054 1 186 . 1 1 20 20 THR CG2 C 13 22.360 0.300 . 1 . . . . 20 THR CG2 . 10054 1 187 . 1 1 20 20 THR N N 15 105.992 0.300 . 1 . . . . 20 THR N . 10054 1 188 . 1 1 21 21 GLY H H 1 9.011 0.030 . 1 . . . . 21 GLY H . 10054 1 189 . 1 1 21 21 GLY HA2 H 1 4.972 0.030 . 2 . . . . 21 GLY HA2 . 10054 1 190 . 1 1 21 21 GLY HA3 H 1 4.111 0.030 . 2 . . . . 21 GLY HA3 . 10054 1 191 . 1 1 21 21 GLY C C 13 171.019 0.300 . 1 . . . . 21 GLY C . 10054 1 192 . 1 1 21 21 GLY CA C 13 46.175 0.300 . 1 . . . . 21 GLY CA . 10054 1 193 . 1 1 21 21 GLY N N 15 108.577 0.300 . 1 . . . . 21 GLY N . 10054 1 194 . 1 1 22 22 VAL H H 1 8.574 0.030 . 1 . . . . 22 VAL H . 10054 1 195 . 1 1 22 22 VAL HA H 1 5.360 0.030 . 1 . . . . 22 VAL HA . 10054 1 196 . 1 1 22 22 VAL HB H 1 1.846 0.030 . 1 . . . . 22 VAL HB . 10054 1 197 . 1 1 22 22 VAL HG11 H 1 0.953 0.030 . 1 . . . . 22 VAL HG1 . 10054 1 198 . 1 1 22 22 VAL HG12 H 1 0.953 0.030 . 1 . . . . 22 VAL HG1 . 10054 1 199 . 1 1 22 22 VAL HG13 H 1 0.953 0.030 . 1 . . . . 22 VAL HG1 . 10054 1 200 . 1 1 22 22 VAL HG21 H 1 0.894 0.030 . 1 . . . . 22 VAL HG2 . 10054 1 201 . 1 1 22 22 VAL HG22 H 1 0.894 0.030 . 1 . . . . 22 VAL HG2 . 10054 1 202 . 1 1 22 22 VAL HG23 H 1 0.894 0.030 . 1 . . . . 22 VAL HG2 . 10054 1 203 . 1 1 22 22 VAL C C 13 176.359 0.300 . 1 . . . . 22 VAL C . 10054 1 204 . 1 1 22 22 VAL CA C 13 59.403 0.300 . 1 . . . . 22 VAL CA . 10054 1 205 . 1 1 22 22 VAL CB C 13 36.242 0.300 . 1 . . . . 22 VAL CB . 10054 1 206 . 1 1 22 22 VAL CG1 C 13 21.032 0.300 . 2 . . . . 22 VAL CG1 . 10054 1 207 . 1 1 22 22 VAL CG2 C 13 21.153 0.300 . 2 . . . . 22 VAL CG2 . 10054 1 208 . 1 1 22 22 VAL N N 15 118.617 0.300 . 1 . . . . 22 VAL N . 10054 1 209 . 1 1 23 23 ILE H H 1 8.736 0.030 . 1 . . . . 23 ILE H . 10054 1 210 . 1 1 23 23 ILE HA H 1 3.989 0.030 . 1 . . . . 23 ILE HA . 10054 1 211 . 1 1 23 23 ILE HB H 1 2.374 0.030 . 1 . . . . 23 ILE HB . 10054 1 212 . 1 1 23 23 ILE HG12 H 1 1.447 0.030 . 2 . . . . 23 ILE HG12 . 10054 1 213 . 1 1 23 23 ILE HG13 H 1 1.333 0.030 . 2 . . . . 23 ILE HG13 . 10054 1 214 . 1 1 23 23 ILE HG21 H 1 0.804 0.030 . 1 . . . . 23 ILE HG2 . 10054 1 215 . 1 1 23 23 ILE HG22 H 1 0.804 0.030 . 1 . . . . 23 ILE HG2 . 10054 1 216 . 1 1 23 23 ILE HG23 H 1 0.804 0.030 . 1 . . . . 23 ILE HG2 . 10054 1 217 . 1 1 23 23 ILE HD11 H 1 0.507 0.030 . 1 . . . . 23 ILE HD1 . 10054 1 218 . 1 1 23 23 ILE HD12 H 1 0.507 0.030 . 1 . . . . 23 ILE HD1 . 10054 1 219 . 1 1 23 23 ILE HD13 H 1 0.507 0.030 . 1 . . . . 23 ILE HD1 . 10054 1 220 . 1 1 23 23 ILE C C 13 175.689 0.300 . 1 . . . . 23 ILE C . 10054 1 221 . 1 1 23 23 ILE CA C 13 61.338 0.300 . 1 . . . . 23 ILE CA . 10054 1 222 . 1 1 23 23 ILE CB C 13 35.638 0.300 . 1 . . . . 23 ILE CB . 10054 1 223 . 1 1 23 23 ILE CG1 C 13 26.211 0.300 . 1 . . . . 23 ILE CG1 . 10054 1 224 . 1 1 23 23 ILE CG2 C 13 18.154 0.300 . 1 . . . . 23 ILE CG2 . 10054 1 225 . 1 1 23 23 ILE CD1 C 13 11.082 0.300 . 1 . . . . 23 ILE CD1 . 10054 1 226 . 1 1 23 23 ILE N N 15 124.153 0.300 . 1 . . . . 23 ILE N . 10054 1 227 . 1 1 24 24 GLU H H 1 9.461 0.030 . 1 . . . . 24 GLU H . 10054 1 228 . 1 1 24 24 GLU HA H 1 4.484 0.030 . 1 . . . . 24 GLU HA . 10054 1 229 . 1 1 24 24 GLU HB2 H 1 2.014 0.030 . 1 . . . . 24 GLU HB2 . 10054 1 230 . 1 1 24 24 GLU HB3 H 1 2.014 0.030 . 1 . . . . 24 GLU HB3 . 10054 1 231 . 1 1 24 24 GLU HG2 H 1 2.376 0.030 . 2 . . . . 24 GLU HG2 . 10054 1 232 . 1 1 24 24 GLU HG3 H 1 2.163 0.030 . 2 . . . . 24 GLU HG3 . 10054 1 233 . 1 1 24 24 GLU C C 13 175.221 0.300 . 1 . . . . 24 GLU C . 10054 1 234 . 1 1 24 24 GLU CA C 13 57.257 0.300 . 1 . . . . 24 GLU CA . 10054 1 235 . 1 1 24 24 GLU CB C 13 32.620 0.300 . 1 . . . . 24 GLU CB . 10054 1 236 . 1 1 24 24 GLU CG C 13 36.121 0.300 . 1 . . . . 24 GLU CG . 10054 1 237 . 1 1 24 24 GLU N N 15 133.659 0.300 . 1 . . . . 24 GLU N . 10054 1 238 . 1 1 25 25 LYS H H 1 7.746 0.030 . 1 . . . . 25 LYS H . 10054 1 239 . 1 1 25 25 LYS HA H 1 4.445 0.030 . 1 . . . . 25 LYS HA . 10054 1 240 . 1 1 25 25 LYS HB2 H 1 1.906 0.030 . 2 . . . . 25 LYS HB2 . 10054 1 241 . 1 1 25 25 LYS HB3 H 1 1.749 0.030 . 2 . . . . 25 LYS HB3 . 10054 1 242 . 1 1 25 25 LYS HG2 H 1 1.380 0.030 . 2 . . . . 25 LYS HG2 . 10054 1 243 . 1 1 25 25 LYS HG3 H 1 1.494 0.030 . 2 . . . . 25 LYS HG3 . 10054 1 244 . 1 1 25 25 LYS HD2 H 1 1.741 0.030 . 2 . . . . 25 LYS HD2 . 10054 1 245 . 1 1 25 25 LYS HD3 H 1 1.670 0.030 . 2 . . . . 25 LYS HD3 . 10054 1 246 . 1 1 25 25 LYS HE2 H 1 2.953 0.030 . 1 . . . . 25 LYS HE2 . 10054 1 247 . 1 1 25 25 LYS HE3 H 1 2.953 0.030 . 1 . . . . 25 LYS HE3 . 10054 1 248 . 1 1 25 25 LYS C C 13 173.540 0.300 . 1 . . . . 25 LYS C . 10054 1 249 . 1 1 25 25 LYS CA C 13 55.676 0.300 . 1 . . . . 25 LYS CA . 10054 1 250 . 1 1 25 25 LYS CB C 13 37.157 0.300 . 1 . . . . 25 LYS CB . 10054 1 251 . 1 1 25 25 LYS CG C 13 25.016 0.300 . 1 . . . . 25 LYS CG . 10054 1 252 . 1 1 25 25 LYS CD C 13 29.240 0.300 . 1 . . . . 25 LYS CD . 10054 1 253 . 1 1 25 25 LYS CE C 13 41.998 0.300 . 1 . . . . 25 LYS CE . 10054 1 254 . 1 1 25 25 LYS N N 15 117.182 0.300 . 1 . . . . 25 LYS N . 10054 1 255 . 1 1 26 26 LEU H H 1 8.699 0.030 . 1 . . . . 26 LEU H . 10054 1 256 . 1 1 26 26 LEU HA H 1 4.443 0.030 . 1 . . . . 26 LEU HA . 10054 1 257 . 1 1 26 26 LEU HB2 H 1 1.566 0.030 . 2 . . . . 26 LEU HB2 . 10054 1 258 . 1 1 26 26 LEU HB3 H 1 1.244 0.030 . 2 . . . . 26 LEU HB3 . 10054 1 259 . 1 1 26 26 LEU HG H 1 1.350 0.030 . 1 . . . . 26 LEU HG . 10054 1 260 . 1 1 26 26 LEU HD11 H 1 0.729 0.030 . 1 . . . . 26 LEU HD1 . 10054 1 261 . 1 1 26 26 LEU HD12 H 1 0.729 0.030 . 1 . . . . 26 LEU HD1 . 10054 1 262 . 1 1 26 26 LEU HD13 H 1 0.729 0.030 . 1 . . . . 26 LEU HD1 . 10054 1 263 . 1 1 26 26 LEU HD21 H 1 0.751 0.030 . 1 . . . . 26 LEU HD2 . 10054 1 264 . 1 1 26 26 LEU HD22 H 1 0.751 0.030 . 1 . . . . 26 LEU HD2 . 10054 1 265 . 1 1 26 26 LEU HD23 H 1 0.751 0.030 . 1 . . . . 26 LEU HD2 . 10054 1 266 . 1 1 26 26 LEU C C 13 174.213 0.300 . 1 . . . . 26 LEU C . 10054 1 267 . 1 1 26 26 LEU CA C 13 55.314 0.300 . 1 . . . . 26 LEU CA . 10054 1 268 . 1 1 26 26 LEU CB C 13 45.339 0.300 . 1 . . . . 26 LEU CB . 10054 1 269 . 1 1 26 26 LEU CG C 13 26.826 0.300 . 1 . . . . 26 LEU CG . 10054 1 270 . 1 1 26 26 LEU CD1 C 13 25.136 0.300 . 2 . . . . 26 LEU CD1 . 10054 1 271 . 1 1 26 26 LEU CD2 C 13 25.860 0.300 . 2 . . . . 26 LEU CD2 . 10054 1 272 . 1 1 26 26 LEU N N 15 125.572 0.300 . 1 . . . . 26 LEU N . 10054 1 273 . 1 1 27 27 LEU H H 1 8.449 0.030 . 1 . . . . 27 LEU H . 10054 1 274 . 1 1 27 27 LEU HA H 1 4.647 0.030 . 1 . . . . 27 LEU HA . 10054 1 275 . 1 1 27 27 LEU HB2 H 1 1.596 0.030 . 2 . . . . 27 LEU HB2 . 10054 1 276 . 1 1 27 27 LEU HB3 H 1 0.751 0.030 . 2 . . . . 27 LEU HB3 . 10054 1 277 . 1 1 27 27 LEU HG H 1 1.493 0.030 . 1 . . . . 27 LEU HG . 10054 1 278 . 1 1 27 27 LEU HD11 H 1 0.804 0.030 . 1 . . . . 27 LEU HD1 . 10054 1 279 . 1 1 27 27 LEU HD12 H 1 0.804 0.030 . 1 . . . . 27 LEU HD1 . 10054 1 280 . 1 1 27 27 LEU HD13 H 1 0.804 0.030 . 1 . . . . 27 LEU HD1 . 10054 1 281 . 1 1 27 27 LEU HD21 H 1 0.804 0.030 . 1 . . . . 27 LEU HD2 . 10054 1 282 . 1 1 27 27 LEU HD22 H 1 0.804 0.030 . 1 . . . . 27 LEU HD2 . 10054 1 283 . 1 1 27 27 LEU HD23 H 1 0.804 0.030 . 1 . . . . 27 LEU HD2 . 10054 1 284 . 1 1 27 27 LEU C C 13 176.207 0.300 . 1 . . . . 27 LEU C . 10054 1 285 . 1 1 27 27 LEU CA C 13 53.511 0.300 . 1 . . . . 27 LEU CA . 10054 1 286 . 1 1 27 27 LEU CB C 13 40.185 0.300 . 1 . . . . 27 LEU CB . 10054 1 287 . 1 1 27 27 LEU CG C 13 28.275 0.300 . 1 . . . . 27 LEU CG . 10054 1 288 . 1 1 27 27 LEU CD1 C 13 24.653 0.300 . 1 . . . . 27 LEU CD1 . 10054 1 289 . 1 1 27 27 LEU CD2 C 13 24.653 0.300 . 1 . . . . 27 LEU CD2 . 10054 1 290 . 1 1 27 27 LEU N N 15 129.132 0.300 . 1 . . . . 27 LEU N . 10054 1 291 . 1 1 28 28 THR H H 1 7.704 0.030 . 1 . . . . 28 THR H . 10054 1 292 . 1 1 28 28 THR HA H 1 3.868 0.030 . 1 . . . . 28 THR HA . 10054 1 293 . 1 1 28 28 THR HB H 1 4.273 0.030 . 1 . . . . 28 THR HB . 10054 1 294 . 1 1 28 28 THR HG21 H 1 1.256 0.030 . 1 . . . . 28 THR HG2 . 10054 1 295 . 1 1 28 28 THR HG22 H 1 1.256 0.030 . 1 . . . . 28 THR HG2 . 10054 1 296 . 1 1 28 28 THR HG23 H 1 1.256 0.030 . 1 . . . . 28 THR HG2 . 10054 1 297 . 1 1 28 28 THR C C 13 175.706 0.300 . 1 . . . . 28 THR C . 10054 1 298 . 1 1 28 28 THR CA C 13 66.540 0.300 . 1 . . . . 28 THR CA . 10054 1 299 . 1 1 28 28 THR CB C 13 68.230 0.300 . 1 . . . . 28 THR CB . 10054 1 300 . 1 1 28 28 THR CG2 C 13 22.118 0.300 . 1 . . . . 28 THR CG2 . 10054 1 301 . 1 1 28 28 THR N N 15 112.788 0.300 . 1 . . . . 28 THR N . 10054 1 302 . 1 1 29 29 SER H H 1 8.192 0.030 . 1 . . . . 29 SER H . 10054 1 303 . 1 1 29 29 SER HA H 1 4.590 0.030 . 1 . . . . 29 SER HA . 10054 1 304 . 1 1 29 29 SER HB2 H 1 4.141 0.030 . 2 . . . . 29 SER HB2 . 10054 1 305 . 1 1 29 29 SER HB3 H 1 3.921 0.030 . 2 . . . . 29 SER HB3 . 10054 1 306 . 1 1 29 29 SER C C 13 173.773 0.300 . 1 . . . . 29 SER C . 10054 1 307 . 1 1 29 29 SER CA C 13 58.295 0.300 . 1 . . . . 29 SER CA . 10054 1 308 . 1 1 29 29 SER CB C 13 64.850 0.300 . 1 . . . . 29 SER CB . 10054 1 309 . 1 1 29 29 SER N N 15 111.664 0.300 . 1 . . . . 29 SER N . 10054 1 310 . 1 1 30 30 TYR H H 1 7.021 0.030 . 1 . . . . 30 TYR H . 10054 1 311 . 1 1 30 30 TYR HA H 1 4.511 0.030 . 1 . . . . 30 TYR HA . 10054 1 312 . 1 1 30 30 TYR HB2 H 1 2.704 0.030 . 2 . . . . 30 TYR HB2 . 10054 1 313 . 1 1 30 30 TYR HB3 H 1 2.349 0.030 . 2 . . . . 30 TYR HB3 . 10054 1 314 . 1 1 30 30 TYR HD1 H 1 6.617 0.030 . 1 . . . . 30 TYR HD1 . 10054 1 315 . 1 1 30 30 TYR HD2 H 1 6.617 0.030 . 1 . . . . 30 TYR HD2 . 10054 1 316 . 1 1 30 30 TYR HE1 H 1 6.806 0.030 . 1 . . . . 30 TYR HE1 . 10054 1 317 . 1 1 30 30 TYR HE2 H 1 6.806 0.030 . 1 . . . . 30 TYR HE2 . 10054 1 318 . 1 1 30 30 TYR C C 13 171.124 0.300 . 1 . . . . 30 TYR C . 10054 1 319 . 1 1 30 30 TYR CA C 13 55.585 0.300 . 1 . . . . 30 TYR CA . 10054 1 320 . 1 1 30 30 TYR CB C 13 40.346 0.300 . 1 . . . . 30 TYR CB . 10054 1 321 . 1 1 30 30 TYR CD1 C 13 134.379 0.300 . 1 . . . . 30 TYR CD1 . 10054 1 322 . 1 1 30 30 TYR CD2 C 13 134.379 0.300 . 1 . . . . 30 TYR CD2 . 10054 1 323 . 1 1 30 30 TYR CE1 C 13 117.962 0.300 . 1 . . . . 30 TYR CE1 . 10054 1 324 . 1 1 30 30 TYR CE2 C 13 117.962 0.300 . 1 . . . . 30 TYR CE2 . 10054 1 325 . 1 1 30 30 TYR N N 15 119.911 0.300 . 1 . . . . 30 TYR N . 10054 1 326 . 1 1 31 31 GLY H H 1 7.299 0.030 . 1 . . . . 31 GLY H . 10054 1 327 . 1 1 31 31 GLY HA2 H 1 3.532 0.030 . 2 . . . . 31 GLY HA2 . 10054 1 328 . 1 1 31 31 GLY HA3 H 1 3.352 0.030 . 2 . . . . 31 GLY HA3 . 10054 1 329 . 1 1 31 31 GLY C C 13 169.567 0.300 . 1 . . . . 31 GLY C . 10054 1 330 . 1 1 31 31 GLY CA C 13 45.049 0.300 . 1 . . . . 31 GLY CA . 10054 1 331 . 1 1 31 31 GLY N N 15 104.546 0.300 . 1 . . . . 31 GLY N . 10054 1 332 . 1 1 32 32 PHE H H 1 8.466 0.030 . 1 . . . . 32 PHE H . 10054 1 333 . 1 1 32 32 PHE HA H 1 5.686 0.030 . 1 . . . . 32 PHE HA . 10054 1 334 . 1 1 32 32 PHE HB2 H 1 2.883 0.030 . 2 . . . . 32 PHE HB2 . 10054 1 335 . 1 1 32 32 PHE HB3 H 1 2.677 0.030 . 2 . . . . 32 PHE HB3 . 10054 1 336 . 1 1 32 32 PHE HD1 H 1 6.964 0.030 . 1 . . . . 32 PHE HD1 . 10054 1 337 . 1 1 32 32 PHE HD2 H 1 6.964 0.030 . 1 . . . . 32 PHE HD2 . 10054 1 338 . 1 1 32 32 PHE HE1 H 1 7.519 0.030 . 1 . . . . 32 PHE HE1 . 10054 1 339 . 1 1 32 32 PHE HE2 H 1 7.519 0.030 . 1 . . . . 32 PHE HE2 . 10054 1 340 . 1 1 32 32 PHE HZ H 1 7.527 0.030 . 1 . . . . 32 PHE HZ . 10054 1 341 . 1 1 32 32 PHE C C 13 175.839 0.300 . 1 . . . . 32 PHE C . 10054 1 342 . 1 1 32 32 PHE CA C 13 56.588 0.300 . 1 . . . . 32 PHE CA . 10054 1 343 . 1 1 32 32 PHE CB C 13 44.570 0.300 . 1 . . . . 32 PHE CB . 10054 1 344 . 1 1 32 32 PHE CD1 C 13 131.482 0.300 . 1 . . . . 32 PHE CD1 . 10054 1 345 . 1 1 32 32 PHE CD2 C 13 131.482 0.300 . 1 . . . . 32 PHE CD2 . 10054 1 346 . 1 1 32 32 PHE CE1 C 13 131.482 0.300 . 1 . . . . 32 PHE CE1 . 10054 1 347 . 1 1 32 32 PHE CE2 C 13 131.482 0.300 . 1 . . . . 32 PHE CE2 . 10054 1 348 . 1 1 32 32 PHE CZ C 13 129.912 0.300 . 1 . . . . 32 PHE CZ . 10054 1 349 . 1 1 32 32 PHE N N 15 111.986 0.300 . 1 . . . . 32 PHE N . 10054 1 350 . 1 1 33 33 ILE H H 1 9.722 0.030 . 1 . . . . 33 ILE H . 10054 1 351 . 1 1 33 33 ILE HA H 1 4.612 0.030 . 1 . . . . 33 ILE HA . 10054 1 352 . 1 1 33 33 ILE HB H 1 1.228 0.030 . 1 . . . . 33 ILE HB . 10054 1 353 . 1 1 33 33 ILE HG12 H 1 1.453 0.030 . 2 . . . . 33 ILE HG12 . 10054 1 354 . 1 1 33 33 ILE HG13 H 1 0.327 0.030 . 2 . . . . 33 ILE HG13 . 10054 1 355 . 1 1 33 33 ILE HG21 H 1 0.511 0.030 . 1 . . . . 33 ILE HG2 . 10054 1 356 . 1 1 33 33 ILE HG22 H 1 0.511 0.030 . 1 . . . . 33 ILE HG2 . 10054 1 357 . 1 1 33 33 ILE HG23 H 1 0.511 0.030 . 1 . . . . 33 ILE HG2 . 10054 1 358 . 1 1 33 33 ILE HD11 H 1 -0.281 0.030 . 1 . . . . 33 ILE HD1 . 10054 1 359 . 1 1 33 33 ILE HD12 H 1 -0.281 0.030 . 1 . . . . 33 ILE HD1 . 10054 1 360 . 1 1 33 33 ILE HD13 H 1 -0.281 0.030 . 1 . . . . 33 ILE HD1 . 10054 1 361 . 1 1 33 33 ILE C C 13 175.853 0.300 . 1 . . . . 33 ILE C . 10054 1 362 . 1 1 33 33 ILE CA C 13 59.403 0.300 . 1 . . . . 33 ILE CA . 10054 1 363 . 1 1 33 33 ILE CB C 13 43.484 0.300 . 1 . . . . 33 ILE CB . 10054 1 364 . 1 1 33 33 ILE CG1 C 13 28.605 0.300 . 1 . . . . 33 ILE CG1 . 10054 1 365 . 1 1 33 33 ILE CG2 C 13 17.894 0.300 . 1 . . . . 33 ILE CG2 . 10054 1 366 . 1 1 33 33 ILE CD1 C 13 14.755 0.300 . 1 . . . . 33 ILE CD1 . 10054 1 367 . 1 1 33 33 ILE N N 15 124.165 0.300 . 1 . . . . 33 ILE N . 10054 1 368 . 1 1 34 34 GLN H H 1 9.175 0.030 . 1 . . . . 34 GLN H . 10054 1 369 . 1 1 34 34 GLN HA H 1 4.868 0.030 . 1 . . . . 34 GLN HA . 10054 1 370 . 1 1 34 34 GLN HB2 H 1 2.164 0.030 . 2 . . . . 34 GLN HB2 . 10054 1 371 . 1 1 34 34 GLN HB3 H 1 1.979 0.030 . 2 . . . . 34 GLN HB3 . 10054 1 372 . 1 1 34 34 GLN HG2 H 1 2.374 0.030 . 1 . . . . 34 GLN HG2 . 10054 1 373 . 1 1 34 34 GLN HG3 H 1 2.374 0.030 . 1 . . . . 34 GLN HG3 . 10054 1 374 . 1 1 34 34 GLN HE21 H 1 7.756 0.030 . 2 . . . . 34 GLN HE21 . 10054 1 375 . 1 1 34 34 GLN HE22 H 1 6.716 0.030 . 2 . . . . 34 GLN HE22 . 10054 1 376 . 1 1 34 34 GLN C C 13 176.216 0.300 . 1 . . . . 34 GLN C . 10054 1 377 . 1 1 34 34 GLN CA C 13 54.566 0.300 . 1 . . . . 34 GLN CA . 10054 1 378 . 1 1 34 34 GLN CB C 13 29.240 0.300 . 1 . . . . 34 GLN CB . 10054 1 379 . 1 1 34 34 GLN CG C 13 32.982 0.300 . 1 . . . . 34 GLN CG . 10054 1 380 . 1 1 34 34 GLN N N 15 125.548 0.300 . 1 . . . . 34 GLN N . 10054 1 381 . 1 1 34 34 GLN NE2 N 15 110.854 0.300 . 1 . . . . 34 GLN NE2 . 10054 1 382 . 1 1 35 35 CYS H H 1 8.845 0.030 . 1 . . . . 35 CYS H . 10054 1 383 . 1 1 35 35 CYS HA H 1 4.612 0.030 . 1 . . . . 35 CYS HA . 10054 1 384 . 1 1 35 35 CYS HB2 H 1 3.787 0.030 . 2 . . . . 35 CYS HB2 . 10054 1 385 . 1 1 35 35 CYS HB3 H 1 3.193 0.030 . 2 . . . . 35 CYS HB3 . 10054 1 386 . 1 1 35 35 CYS C C 13 175.018 0.300 . 1 . . . . 35 CYS C . 10054 1 387 . 1 1 35 35 CYS CA C 13 62.235 0.300 . 1 . . . . 35 CYS CA . 10054 1 388 . 1 1 35 35 CYS CB C 13 28.771 0.300 . 1 . . . . 35 CYS CB . 10054 1 389 . 1 1 35 35 CYS N N 15 127.998 0.300 . 1 . . . . 35 CYS N . 10054 1 390 . 1 1 36 36 SER H H 1 9.073 0.030 . 1 . . . . 36 SER H . 10054 1 391 . 1 1 36 36 SER HA H 1 4.693 0.030 . 1 . . . . 36 SER HA . 10054 1 392 . 1 1 36 36 SER HB2 H 1 3.906 0.030 . 2 . . . . 36 SER HB2 . 10054 1 393 . 1 1 36 36 SER HB3 H 1 3.965 0.030 . 2 . . . . 36 SER HB3 . 10054 1 394 . 1 1 36 36 SER C C 13 175.581 0.300 . 1 . . . . 36 SER C . 10054 1 395 . 1 1 36 36 SER CA C 13 60.493 0.300 . 1 . . . . 36 SER CA . 10054 1 396 . 1 1 36 36 SER CB C 13 63.643 0.300 . 1 . . . . 36 SER CB . 10054 1 397 . 1 1 36 36 SER N N 15 118.214 0.300 . 1 . . . . 36 SER N . 10054 1 398 . 1 1 37 37 GLU H H 1 9.014 0.030 . 1 . . . . 37 GLU H . 10054 1 399 . 1 1 37 37 GLU HA H 1 4.468 0.030 . 1 . . . . 37 GLU HA . 10054 1 400 . 1 1 37 37 GLU HB2 H 1 2.328 0.030 . 2 . . . . 37 GLU HB2 . 10054 1 401 . 1 1 37 37 GLU HB3 H 1 2.087 0.030 . 2 . . . . 37 GLU HB3 . 10054 1 402 . 1 1 37 37 GLU HG2 H 1 2.287 0.030 . 2 . . . . 37 GLU HG2 . 10054 1 403 . 1 1 37 37 GLU HG3 H 1 2.249 0.030 . 2 . . . . 37 GLU HG3 . 10054 1 404 . 1 1 37 37 GLU C C 13 175.537 0.300 . 1 . . . . 37 GLU C . 10054 1 405 . 1 1 37 37 GLU CA C 13 57.004 0.300 . 1 . . . . 37 GLU CA . 10054 1 406 . 1 1 37 37 GLU CB C 13 29.723 0.300 . 1 . . . . 37 GLU CB . 10054 1 407 . 1 1 37 37 GLU CG C 13 36.818 0.300 . 1 . . . . 37 GLU CG . 10054 1 408 . 1 1 37 37 GLU N N 15 120.022 0.300 . 1 . . . . 37 GLU N . 10054 1 409 . 1 1 38 38 ARG H H 1 7.674 0.030 . 1 . . . . 38 ARG H . 10054 1 410 . 1 1 38 38 ARG HA H 1 4.529 0.030 . 1 . . . . 38 ARG HA . 10054 1 411 . 1 1 38 38 ARG HB2 H 1 2.080 0.030 . 2 . . . . 38 ARG HB2 . 10054 1 412 . 1 1 38 38 ARG HB3 H 1 1.714 0.030 . 2 . . . . 38 ARG HB3 . 10054 1 413 . 1 1 38 38 ARG HG2 H 1 1.610 0.030 . 2 . . . . 38 ARG HG2 . 10054 1 414 . 1 1 38 38 ARG HG3 H 1 1.361 0.030 . 2 . . . . 38 ARG HG3 . 10054 1 415 . 1 1 38 38 ARG HD2 H 1 3.182 0.030 . 2 . . . . 38 ARG HD2 . 10054 1 416 . 1 1 38 38 ARG HD3 H 1 3.258 0.030 . 2 . . . . 38 ARG HD3 . 10054 1 417 . 1 1 38 38 ARG HE H 1 9.030 0.030 . 1 . . . . 38 ARG HE . 10054 1 418 . 1 1 38 38 ARG C C 13 174.233 0.300 . 1 . . . . 38 ARG C . 10054 1 419 . 1 1 38 38 ARG CA C 13 54.319 0.300 . 1 . . . . 38 ARG CA . 10054 1 420 . 1 1 38 38 ARG CB C 13 31.954 0.300 . 1 . . . . 38 ARG CB . 10054 1 421 . 1 1 38 38 ARG CG C 13 26.540 0.300 . 1 . . . . 38 ARG CG . 10054 1 422 . 1 1 38 38 ARG CD C 13 43.484 0.300 . 1 . . . . 38 ARG CD . 10054 1 423 . 1 1 38 38 ARG N N 15 115.098 0.300 . 1 . . . . 38 ARG N . 10054 1 424 . 1 1 38 38 ARG NE N 15 85.946 0.300 . 1 . . . . 38 ARG NE . 10054 1 425 . 1 1 39 39 GLN H H 1 8.500 0.030 . 1 . . . . 39 GLN H . 10054 1 426 . 1 1 39 39 GLN HA H 1 4.574 0.030 . 1 . . . . 39 GLN HA . 10054 1 427 . 1 1 39 39 GLN HB2 H 1 2.031 0.030 . 2 . . . . 39 GLN HB2 . 10054 1 428 . 1 1 39 39 GLN HB3 H 1 2.120 0.030 . 2 . . . . 39 GLN HB3 . 10054 1 429 . 1 1 39 39 GLN HG2 H 1 2.355 0.030 . 1 . . . . 39 GLN HG2 . 10054 1 430 . 1 1 39 39 GLN HG3 H 1 2.355 0.030 . 1 . . . . 39 GLN HG3 . 10054 1 431 . 1 1 39 39 GLN HE21 H 1 7.603 0.030 . 2 . . . . 39 GLN HE21 . 10054 1 432 . 1 1 39 39 GLN HE22 H 1 6.853 0.030 . 2 . . . . 39 GLN HE22 . 10054 1 433 . 1 1 39 39 GLN C C 13 175.230 0.300 . 1 . . . . 39 GLN C . 10054 1 434 . 1 1 39 39 GLN CA C 13 55.340 0.300 . 1 . . . . 39 GLN CA . 10054 1 435 . 1 1 39 39 GLN CB C 13 27.708 0.300 . 1 . . . . 39 GLN CB . 10054 1 436 . 1 1 39 39 GLN CG C 13 34.105 0.300 . 1 . . . . 39 GLN CG . 10054 1 437 . 1 1 39 39 GLN N N 15 119.911 0.300 . 1 . . . . 39 GLN N . 10054 1 438 . 1 1 39 39 GLN NE2 N 15 112.633 0.300 . 1 . . . . 39 GLN NE2 . 10054 1 439 . 1 1 40 40 ALA H H 1 8.239 0.030 . 1 . . . . 40 ALA H . 10054 1 440 . 1 1 40 40 ALA HA H 1 4.506 0.030 . 1 . . . . 40 ALA HA . 10054 1 441 . 1 1 40 40 ALA HB1 H 1 1.392 0.030 . 1 . . . . 40 ALA HB . 10054 1 442 . 1 1 40 40 ALA HB2 H 1 1.392 0.030 . 1 . . . . 40 ALA HB . 10054 1 443 . 1 1 40 40 ALA HB3 H 1 1.392 0.030 . 1 . . . . 40 ALA HB . 10054 1 444 . 1 1 40 40 ALA C C 13 174.453 0.300 . 1 . . . . 40 ALA C . 10054 1 445 . 1 1 40 40 ALA CA C 13 52.658 0.300 . 1 . . . . 40 ALA CA . 10054 1 446 . 1 1 40 40 ALA CB C 13 21.515 0.300 . 1 . . . . 40 ALA CB . 10054 1 447 . 1 1 40 40 ALA N N 15 125.068 0.300 . 1 . . . . 40 ALA N . 10054 1 448 . 1 1 41 41 ARG H H 1 8.440 0.030 . 1 . . . . 41 ARG H . 10054 1 449 . 1 1 41 41 ARG HA H 1 5.394 0.030 . 1 . . . . 41 ARG HA . 10054 1 450 . 1 1 41 41 ARG HB2 H 1 1.738 0.030 . 1 . . . . 41 ARG HB2 . 10054 1 451 . 1 1 41 41 ARG HB3 H 1 1.738 0.030 . 1 . . . . 41 ARG HB3 . 10054 1 452 . 1 1 41 41 ARG HG2 H 1 1.529 0.030 . 2 . . . . 41 ARG HG2 . 10054 1 453 . 1 1 41 41 ARG HG3 H 1 1.459 0.030 . 2 . . . . 41 ARG HG3 . 10054 1 454 . 1 1 41 41 ARG HD2 H 1 2.873 0.030 . 2 . . . . 41 ARG HD2 . 10054 1 455 . 1 1 41 41 ARG HD3 H 1 2.951 0.030 . 2 . . . . 41 ARG HD3 . 10054 1 456 . 1 1 41 41 ARG HE H 1 8.231 0.030 . 1 . . . . 41 ARG HE . 10054 1 457 . 1 1 41 41 ARG C C 13 176.201 0.300 . 1 . . . . 41 ARG C . 10054 1 458 . 1 1 41 41 ARG CA C 13 54.496 0.300 . 1 . . . . 41 ARG CA . 10054 1 459 . 1 1 41 41 ARG CB C 13 32.379 0.300 . 1 . . . . 41 ARG CB . 10054 1 460 . 1 1 41 41 ARG CG C 13 28.275 0.300 . 1 . . . . 41 ARG CG . 10054 1 461 . 1 1 41 41 ARG CD C 13 43.484 0.300 . 1 . . . . 41 ARG CD . 10054 1 462 . 1 1 41 41 ARG N N 15 123.146 0.300 . 1 . . . . 41 ARG N . 10054 1 463 . 1 1 41 41 ARG NE N 15 85.946 0.300 . 1 . . . . 41 ARG NE . 10054 1 464 . 1 1 42 42 LEU H H 1 9.261 0.030 . 1 . . . . 42 LEU H . 10054 1 465 . 1 1 42 42 LEU HA H 1 5.016 0.030 . 1 . . . . 42 LEU HA . 10054 1 466 . 1 1 42 42 LEU HB2 H 1 1.392 0.030 . 2 . . . . 42 LEU HB2 . 10054 1 467 . 1 1 42 42 LEU HB3 H 1 1.252 0.030 . 2 . . . . 42 LEU HB3 . 10054 1 468 . 1 1 42 42 LEU HG H 1 1.451 0.030 . 1 . . . . 42 LEU HG . 10054 1 469 . 1 1 42 42 LEU HD11 H 1 0.714 0.030 . 1 . . . . 42 LEU HD1 . 10054 1 470 . 1 1 42 42 LEU HD12 H 1 0.714 0.030 . 1 . . . . 42 LEU HD1 . 10054 1 471 . 1 1 42 42 LEU HD13 H 1 0.714 0.030 . 1 . . . . 42 LEU HD1 . 10054 1 472 . 1 1 42 42 LEU HD21 H 1 0.770 0.030 . 1 . . . . 42 LEU HD2 . 10054 1 473 . 1 1 42 42 LEU HD22 H 1 0.770 0.030 . 1 . . . . 42 LEU HD2 . 10054 1 474 . 1 1 42 42 LEU HD23 H 1 0.770 0.030 . 1 . . . . 42 LEU HD2 . 10054 1 475 . 1 1 42 42 LEU C C 13 175.464 0.300 . 1 . . . . 42 LEU C . 10054 1 476 . 1 1 42 42 LEU CA C 13 53.528 0.300 . 1 . . . . 42 LEU CA . 10054 1 477 . 1 1 42 42 LEU CB C 13 46.321 0.300 . 1 . . . . 42 LEU CB . 10054 1 478 . 1 1 42 42 LEU CG C 13 27.309 0.300 . 1 . . . . 42 LEU CG . 10054 1 479 . 1 1 42 42 LEU CD1 C 13 27.671 0.300 . 2 . . . . 42 LEU CD1 . 10054 1 480 . 1 1 42 42 LEU CD2 C 13 25.016 0.300 . 2 . . . . 42 LEU CD2 . 10054 1 481 . 1 1 42 42 LEU N N 15 125.921 0.300 . 1 . . . . 42 LEU N . 10054 1 482 . 1 1 43 43 PHE H H 1 8.725 0.030 . 1 . . . . 43 PHE H . 10054 1 483 . 1 1 43 43 PHE HA H 1 4.504 0.030 . 1 . . . . 43 PHE HA . 10054 1 484 . 1 1 43 43 PHE HB2 H 1 3.130 0.030 . 2 . . . . 43 PHE HB2 . 10054 1 485 . 1 1 43 43 PHE HB3 H 1 2.932 0.030 . 2 . . . . 43 PHE HB3 . 10054 1 486 . 1 1 43 43 PHE HD1 H 1 6.762 0.030 . 1 . . . . 43 PHE HD1 . 10054 1 487 . 1 1 43 43 PHE HD2 H 1 6.762 0.030 . 1 . . . . 43 PHE HD2 . 10054 1 488 . 1 1 43 43 PHE HE1 H 1 6.431 0.030 . 1 . . . . 43 PHE HE1 . 10054 1 489 . 1 1 43 43 PHE HE2 H 1 6.431 0.030 . 1 . . . . 43 PHE HE2 . 10054 1 490 . 1 1 43 43 PHE HZ H 1 6.732 0.030 . 1 . . . . 43 PHE HZ . 10054 1 491 . 1 1 43 43 PHE C C 13 173.665 0.300 . 1 . . . . 43 PHE C . 10054 1 492 . 1 1 43 43 PHE CA C 13 57.556 0.300 . 1 . . . . 43 PHE CA . 10054 1 493 . 1 1 43 43 PHE CB C 13 41.167 0.300 . 1 . . . . 43 PHE CB . 10054 1 494 . 1 1 43 43 PHE CD1 C 13 131.361 0.300 . 1 . . . . 43 PHE CD1 . 10054 1 495 . 1 1 43 43 PHE CD2 C 13 131.361 0.300 . 1 . . . . 43 PHE CD2 . 10054 1 496 . 1 1 43 43 PHE CE1 C 13 131.240 0.300 . 1 . . . . 43 PHE CE1 . 10054 1 497 . 1 1 43 43 PHE CE2 C 13 131.240 0.300 . 1 . . . . 43 PHE CE2 . 10054 1 498 . 1 1 43 43 PHE CZ C 13 129.309 0.300 . 1 . . . . 43 PHE CZ . 10054 1 499 . 1 1 43 43 PHE N N 15 126.301 0.300 . 1 . . . . 43 PHE N . 10054 1 500 . 1 1 44 44 PHE H H 1 7.481 0.030 . 1 . . . . 44 PHE H . 10054 1 501 . 1 1 44 44 PHE HA H 1 4.976 0.030 . 1 . . . . 44 PHE HA . 10054 1 502 . 1 1 44 44 PHE HB2 H 1 2.713 0.030 . 1 . . . . 44 PHE HB2 . 10054 1 503 . 1 1 44 44 PHE HB3 H 1 2.713 0.030 . 1 . . . . 44 PHE HB3 . 10054 1 504 . 1 1 44 44 PHE HD1 H 1 6.599 0.030 . 1 . . . . 44 PHE HD1 . 10054 1 505 . 1 1 44 44 PHE HD2 H 1 6.599 0.030 . 1 . . . . 44 PHE HD2 . 10054 1 506 . 1 1 44 44 PHE HE1 H 1 6.698 0.030 . 1 . . . . 44 PHE HE1 . 10054 1 507 . 1 1 44 44 PHE HE2 H 1 6.698 0.030 . 1 . . . . 44 PHE HE2 . 10054 1 508 . 1 1 44 44 PHE HZ H 1 6.660 0.030 . 1 . . . . 44 PHE HZ . 10054 1 509 . 1 1 44 44 PHE C C 13 171.585 0.300 . 1 . . . . 44 PHE C . 10054 1 510 . 1 1 44 44 PHE CA C 13 56.043 0.300 . 1 . . . . 44 PHE CA . 10054 1 511 . 1 1 44 44 PHE CB C 13 43.457 0.300 . 1 . . . . 44 PHE CB . 10054 1 512 . 1 1 44 44 PHE CD1 C 13 132.930 0.300 . 1 . . . . 44 PHE CD1 . 10054 1 513 . 1 1 44 44 PHE CD2 C 13 132.930 0.300 . 1 . . . . 44 PHE CD2 . 10054 1 514 . 1 1 44 44 PHE CE1 C 13 129.067 0.300 . 1 . . . . 44 PHE CE1 . 10054 1 515 . 1 1 44 44 PHE CE2 C 13 129.067 0.300 . 1 . . . . 44 PHE CE2 . 10054 1 516 . 1 1 44 44 PHE CZ C 13 128.343 0.300 . 1 . . . . 44 PHE CZ . 10054 1 517 . 1 1 44 44 PHE N N 15 121.528 0.300 . 1 . . . . 44 PHE N . 10054 1 518 . 1 1 45 45 HIS H H 1 9.471 0.030 . 1 . . . . 45 HIS H . 10054 1 519 . 1 1 45 45 HIS HA H 1 4.476 0.030 . 1 . . . . 45 HIS HA . 10054 1 520 . 1 1 45 45 HIS HB2 H 1 3.130 0.030 . 2 . . . . 45 HIS HB2 . 10054 1 521 . 1 1 45 45 HIS HB3 H 1 3.247 0.030 . 2 . . . . 45 HIS HB3 . 10054 1 522 . 1 1 45 45 HIS HD2 H 1 7.323 0.030 . 1 . . . . 45 HIS HD2 . 10054 1 523 . 1 1 45 45 HIS HE1 H 1 8.053 0.030 . 1 . . . . 45 HIS HE1 . 10054 1 524 . 1 1 45 45 HIS C C 13 177.995 0.300 . 1 . . . . 45 HIS C . 10054 1 525 . 1 1 45 45 HIS CA C 13 56.483 0.300 . 1 . . . . 45 HIS CA . 10054 1 526 . 1 1 45 45 HIS CB C 13 32.657 0.300 . 1 . . . . 45 HIS CB . 10054 1 527 . 1 1 45 45 HIS CD2 C 13 119.290 0.300 . 1 . . . . 45 HIS CD2 . 10054 1 528 . 1 1 45 45 HIS CE1 C 13 138.966 0.300 . 1 . . . . 45 HIS CE1 . 10054 1 529 . 1 1 45 45 HIS N N 15 119.911 0.300 . 1 . . . . 45 HIS N . 10054 1 530 . 1 1 46 46 CYS H H 1 8.283 0.030 . 1 . . . . 46 CYS H . 10054 1 531 . 1 1 46 46 CYS HA H 1 4.014 0.030 . 1 . . . . 46 CYS HA . 10054 1 532 . 1 1 46 46 CYS HB2 H 1 3.036 0.030 . 2 . . . . 46 CYS HB2 . 10054 1 533 . 1 1 46 46 CYS HB3 H 1 2.816 0.030 . 2 . . . . 46 CYS HB3 . 10054 1 534 . 1 1 46 46 CYS C C 13 175.793 0.300 . 1 . . . . 46 CYS C . 10054 1 535 . 1 1 46 46 CYS CA C 13 61.813 0.300 . 1 . . . . 46 CYS CA . 10054 1 536 . 1 1 46 46 CYS CB C 13 26.826 0.300 . 1 . . . . 46 CYS CB . 10054 1 537 . 1 1 46 46 CYS N N 15 124.564 0.300 . 1 . . . . 46 CYS N . 10054 1 538 . 1 1 47 47 SER H H 1 9.013 0.030 . 1 . . . . 47 SER H . 10054 1 539 . 1 1 47 47 SER HA H 1 4.443 0.030 . 1 . . . . 47 SER HA . 10054 1 540 . 1 1 47 47 SER HB2 H 1 4.166 0.030 . 1 . . . . 47 SER HB2 . 10054 1 541 . 1 1 47 47 SER HB3 H 1 4.166 0.030 . 1 . . . . 47 SER HB3 . 10054 1 542 . 1 1 47 47 SER C C 13 175.755 0.300 . 1 . . . . 47 SER C . 10054 1 543 . 1 1 47 47 SER CA C 13 60.494 0.300 . 1 . . . . 47 SER CA . 10054 1 544 . 1 1 47 47 SER CB C 13 62.677 0.300 . 1 . . . . 47 SER CB . 10054 1 545 . 1 1 47 47 SER N N 15 117.000 0.300 . 1 . . . . 47 SER N . 10054 1 546 . 1 1 48 48 GLN H H 1 8.171 0.030 . 1 . . . . 48 GLN H . 10054 1 547 . 1 1 48 48 GLN HA H 1 4.365 0.030 . 1 . . . . 48 GLN HA . 10054 1 548 . 1 1 48 48 GLN HB2 H 1 2.781 0.030 . 2 . . . . 48 GLN HB2 . 10054 1 549 . 1 1 48 48 GLN HB3 H 1 2.458 0.030 . 2 . . . . 48 GLN HB3 . 10054 1 550 . 1 1 48 48 GLN HG2 H 1 3.077 0.030 . 2 . . . . 48 GLN HG2 . 10054 1 551 . 1 1 48 48 GLN HG3 H 1 2.640 0.030 . 2 . . . . 48 GLN HG3 . 10054 1 552 . 1 1 48 48 GLN HE21 H 1 7.838 0.030 . 2 . . . . 48 GLN HE21 . 10054 1 553 . 1 1 48 48 GLN HE22 H 1 7.012 0.030 . 2 . . . . 48 GLN HE22 . 10054 1 554 . 1 1 48 48 GLN C C 13 174.735 0.300 . 1 . . . . 48 GLN C . 10054 1 555 . 1 1 48 48 GLN CA C 13 55.551 0.300 . 1 . . . . 48 GLN CA . 10054 1 556 . 1 1 48 48 GLN CB C 13 28.275 0.300 . 1 . . . . 48 GLN CB . 10054 1 557 . 1 1 48 48 GLN CG C 13 34.310 0.300 . 1 . . . . 48 GLN CG . 10054 1 558 . 1 1 48 48 GLN N N 15 119.098 0.300 . 1 . . . . 48 GLN N . 10054 1 559 . 1 1 48 48 GLN NE2 N 15 114.897 0.300 . 1 . . . . 48 GLN NE2 . 10054 1 560 . 1 1 49 49 TYR H H 1 7.888 0.030 . 1 . . . . 49 TYR H . 10054 1 561 . 1 1 49 49 TYR HA H 1 4.845 0.030 . 1 . . . . 49 TYR HA . 10054 1 562 . 1 1 49 49 TYR HB2 H 1 3.160 0.030 . 2 . . . . 49 TYR HB2 . 10054 1 563 . 1 1 49 49 TYR HB3 H 1 2.648 0.030 . 2 . . . . 49 TYR HB3 . 10054 1 564 . 1 1 49 49 TYR HD1 H 1 6.810 0.030 . 1 . . . . 49 TYR HD1 . 10054 1 565 . 1 1 49 49 TYR HD2 H 1 6.810 0.030 . 1 . . . . 49 TYR HD2 . 10054 1 566 . 1 1 49 49 TYR HE1 H 1 6.542 0.030 . 1 . . . . 49 TYR HE1 . 10054 1 567 . 1 1 49 49 TYR HE2 H 1 6.542 0.030 . 1 . . . . 49 TYR HE2 . 10054 1 568 . 1 1 49 49 TYR C C 13 174.306 0.300 . 1 . . . . 49 TYR C . 10054 1 569 . 1 1 49 49 TYR CA C 13 57.099 0.300 . 1 . . . . 49 TYR CA . 10054 1 570 . 1 1 49 49 TYR CB C 13 39.259 0.300 . 1 . . . . 49 TYR CB . 10054 1 571 . 1 1 49 49 TYR CD1 C 13 132.809 0.300 . 1 . . . . 49 TYR CD1 . 10054 1 572 . 1 1 49 49 TYR CD2 C 13 132.809 0.300 . 1 . . . . 49 TYR CD2 . 10054 1 573 . 1 1 49 49 TYR CE1 C 13 118.083 0.300 . 1 . . . . 49 TYR CE1 . 10054 1 574 . 1 1 49 49 TYR CE2 C 13 118.083 0.300 . 1 . . . . 49 TYR CE2 . 10054 1 575 . 1 1 49 49 TYR N N 15 120.720 0.300 . 1 . . . . 49 TYR N . 10054 1 576 . 1 1 50 50 ASN H H 1 8.077 0.030 . 1 . . . . 50 ASN H . 10054 1 577 . 1 1 50 50 ASN HA H 1 4.653 0.030 . 1 . . . . 50 ASN HA . 10054 1 578 . 1 1 50 50 ASN HB2 H 1 2.723 0.030 . 1 . . . . 50 ASN HB2 . 10054 1 579 . 1 1 50 50 ASN HB3 H 1 2.723 0.030 . 1 . . . . 50 ASN HB3 . 10054 1 580 . 1 1 50 50 ASN HD21 H 1 7.287 0.030 . 2 . . . . 50 ASN HD21 . 10054 1 581 . 1 1 50 50 ASN HD22 H 1 6.797 0.030 . 2 . . . . 50 ASN HD22 . 10054 1 582 . 1 1 50 50 ASN C C 13 173.765 0.300 . 1 . . . . 50 ASN C . 10054 1 583 . 1 1 50 50 ASN CA C 13 52.613 0.300 . 1 . . . . 50 ASN CA . 10054 1 584 . 1 1 50 50 ASN CB C 13 37.784 0.300 . 1 . . . . 50 ASN CB . 10054 1 585 . 1 1 50 50 ASN N N 15 127.836 0.300 . 1 . . . . 50 ASN N . 10054 1 586 . 1 1 50 50 ASN ND2 N 15 111.177 0.300 . 1 . . . . 50 ASN ND2 . 10054 1 587 . 1 1 51 51 GLY H H 1 6.782 0.030 . 1 . . . . 51 GLY H . 10054 1 588 . 1 1 51 51 GLY HA2 H 1 3.933 0.030 . 2 . . . . 51 GLY HA2 . 10054 1 589 . 1 1 51 51 GLY HA3 H 1 3.550 0.030 . 2 . . . . 51 GLY HA3 . 10054 1 590 . 1 1 51 51 GLY C C 13 171.673 0.300 . 1 . . . . 51 GLY C . 10054 1 591 . 1 1 51 51 GLY CA C 13 44.433 0.300 . 1 . . . . 51 GLY CA . 10054 1 592 . 1 1 51 51 GLY N N 15 108.913 0.300 . 1 . . . . 51 GLY N . 10054 1 593 . 1 1 52 52 ASN H H 1 8.625 0.030 . 1 . . . . 52 ASN H . 10054 1 594 . 1 1 52 52 ASN HA H 1 4.856 0.030 . 1 . . . . 52 ASN HA . 10054 1 595 . 1 1 52 52 ASN HB2 H 1 3.013 0.030 . 2 . . . . 52 ASN HB2 . 10054 1 596 . 1 1 52 52 ASN HB3 H 1 2.827 0.030 . 2 . . . . 52 ASN HB3 . 10054 1 597 . 1 1 52 52 ASN HD21 H 1 6.999 0.030 . 2 . . . . 52 ASN HD21 . 10054 1 598 . 1 1 52 52 ASN HD22 H 1 7.677 0.030 . 2 . . . . 52 ASN HD22 . 10054 1 599 . 1 1 52 52 ASN C C 13 177.007 0.300 . 1 . . . . 52 ASN C . 10054 1 600 . 1 1 52 52 ASN CA C 13 52.525 0.300 . 1 . . . . 52 ASN CA . 10054 1 601 . 1 1 52 52 ASN CB C 13 38.414 0.300 . 1 . . . . 52 ASN CB . 10054 1 602 . 1 1 52 52 ASN N N 15 118.455 0.300 . 1 . . . . 52 ASN N . 10054 1 603 . 1 1 52 52 ASN ND2 N 15 112.633 0.300 . 1 . . . . 52 ASN ND2 . 10054 1 604 . 1 1 53 53 LEU H H 1 9.227 0.030 . 1 . . . . 53 LEU H . 10054 1 605 . 1 1 53 53 LEU HA H 1 4.018 0.030 . 1 . . . . 53 LEU HA . 10054 1 606 . 1 1 53 53 LEU HB2 H 1 1.830 0.030 . 2 . . . . 53 LEU HB2 . 10054 1 607 . 1 1 53 53 LEU HB3 H 1 1.791 0.030 . 2 . . . . 53 LEU HB3 . 10054 1 608 . 1 1 53 53 LEU HG H 1 1.828 0.030 . 1 . . . . 53 LEU HG . 10054 1 609 . 1 1 53 53 LEU HD11 H 1 0.982 0.030 . 1 . . . . 53 LEU HD1 . 10054 1 610 . 1 1 53 53 LEU HD12 H 1 0.982 0.030 . 1 . . . . 53 LEU HD1 . 10054 1 611 . 1 1 53 53 LEU HD13 H 1 0.982 0.030 . 1 . . . . 53 LEU HD1 . 10054 1 612 . 1 1 53 53 LEU HD21 H 1 0.957 0.030 . 1 . . . . 53 LEU HD2 . 10054 1 613 . 1 1 53 53 LEU HD22 H 1 0.957 0.030 . 1 . . . . 53 LEU HD2 . 10054 1 614 . 1 1 53 53 LEU HD23 H 1 0.957 0.030 . 1 . . . . 53 LEU HD2 . 10054 1 615 . 1 1 53 53 LEU C C 13 178.168 0.300 . 1 . . . . 53 LEU C . 10054 1 616 . 1 1 53 53 LEU CA C 13 57.969 0.300 . 1 . . . . 53 LEU CA . 10054 1 617 . 1 1 53 53 LEU CB C 13 42.022 0.300 . 1 . . . . 53 LEU CB . 10054 1 618 . 1 1 53 53 LEU CG C 13 27.280 0.300 . 1 . . . . 53 LEU CG . 10054 1 619 . 1 1 53 53 LEU CD1 C 13 24.171 0.300 . 2 . . . . 53 LEU CD1 . 10054 1 620 . 1 1 53 53 LEU CD2 C 13 25.060 0.300 . 2 . . . . 53 LEU CD2 . 10054 1 621 . 1 1 53 53 LEU N N 15 130.717 0.300 . 1 . . . . 53 LEU N . 10054 1 622 . 1 1 54 54 GLN H H 1 8.296 0.030 . 1 . . . . 54 GLN H . 10054 1 623 . 1 1 54 54 GLN HA H 1 4.138 0.030 . 1 . . . . 54 GLN HA . 10054 1 624 . 1 1 54 54 GLN HB2 H 1 2.114 0.030 . 2 . . . . 54 GLN HB2 . 10054 1 625 . 1 1 54 54 GLN HB3 H 1 2.047 0.030 . 2 . . . . 54 GLN HB3 . 10054 1 626 . 1 1 54 54 GLN HG2 H 1 2.432 0.030 . 2 . . . . 54 GLN HG2 . 10054 1 627 . 1 1 54 54 GLN HG3 H 1 2.466 0.030 . 2 . . . . 54 GLN HG3 . 10054 1 628 . 1 1 54 54 GLN HE21 H 1 7.633 0.030 . 2 . . . . 54 GLN HE21 . 10054 1 629 . 1 1 54 54 GLN HE22 H 1 6.888 0.030 . 2 . . . . 54 GLN HE22 . 10054 1 630 . 1 1 54 54 GLN C C 13 176.311 0.300 . 1 . . . . 54 GLN C . 10054 1 631 . 1 1 54 54 GLN CA C 13 57.750 0.300 . 1 . . . . 54 GLN CA . 10054 1 632 . 1 1 54 54 GLN CB C 13 28.148 0.300 . 1 . . . . 54 GLN CB . 10054 1 633 . 1 1 54 54 GLN CG C 13 34.310 0.300 . 1 . . . . 54 GLN CG . 10054 1 634 . 1 1 54 54 GLN N N 15 115.084 0.300 . 1 . . . . 54 GLN N . 10054 1 635 . 1 1 54 54 GLN NE2 N 15 112.471 0.300 . 1 . . . . 54 GLN NE2 . 10054 1 636 . 1 1 55 55 ASP H H 1 7.816 0.030 . 1 . . . . 55 ASP H . 10054 1 637 . 1 1 55 55 ASP HA H 1 4.641 0.030 . 1 . . . . 55 ASP HA . 10054 1 638 . 1 1 55 55 ASP HB2 H 1 2.853 0.030 . 2 . . . . 55 ASP HB2 . 10054 1 639 . 1 1 55 55 ASP HB3 H 1 2.716 0.030 . 2 . . . . 55 ASP HB3 . 10054 1 640 . 1 1 55 55 ASP C C 13 175.315 0.300 . 1 . . . . 55 ASP C . 10054 1 641 . 1 1 55 55 ASP CA C 13 54.355 0.300 . 1 . . . . 55 ASP CA . 10054 1 642 . 1 1 55 55 ASP CB C 13 41.862 0.300 . 1 . . . . 55 ASP CB . 10054 1 643 . 1 1 55 55 ASP N N 15 117.279 0.300 . 1 . . . . 55 ASP N . 10054 1 644 . 1 1 56 56 LEU H H 1 7.365 0.030 . 1 . . . . 56 LEU H . 10054 1 645 . 1 1 56 56 LEU HA H 1 4.359 0.030 . 1 . . . . 56 LEU HA . 10054 1 646 . 1 1 56 56 LEU HB2 H 1 1.505 0.030 . 2 . . . . 56 LEU HB2 . 10054 1 647 . 1 1 56 56 LEU HB3 H 1 1.089 0.030 . 2 . . . . 56 LEU HB3 . 10054 1 648 . 1 1 56 56 LEU HG H 1 1.152 0.030 . 1 . . . . 56 LEU HG . 10054 1 649 . 1 1 56 56 LEU HD11 H 1 0.496 0.030 . 1 . . . . 56 LEU HD1 . 10054 1 650 . 1 1 56 56 LEU HD12 H 1 0.496 0.030 . 1 . . . . 56 LEU HD1 . 10054 1 651 . 1 1 56 56 LEU HD13 H 1 0.496 0.030 . 1 . . . . 56 LEU HD1 . 10054 1 652 . 1 1 56 56 LEU HD21 H 1 0.136 0.030 . 1 . . . . 56 LEU HD2 . 10054 1 653 . 1 1 56 56 LEU HD22 H 1 0.136 0.030 . 1 . . . . 56 LEU HD2 . 10054 1 654 . 1 1 56 56 LEU HD23 H 1 0.136 0.030 . 1 . . . . 56 LEU HD2 . 10054 1 655 . 1 1 56 56 LEU C C 13 174.481 0.300 . 1 . . . . 56 LEU C . 10054 1 656 . 1 1 56 56 LEU CA C 13 54.442 0.300 . 1 . . . . 56 LEU CA . 10054 1 657 . 1 1 56 56 LEU CB C 13 43.416 0.300 . 1 . . . . 56 LEU CB . 10054 1 658 . 1 1 56 56 LEU CG C 13 26.458 0.300 . 1 . . . . 56 LEU CG . 10054 1 659 . 1 1 56 56 LEU CD1 C 13 23.084 0.300 . 2 . . . . 56 LEU CD1 . 10054 1 660 . 1 1 56 56 LEU CD2 C 13 23.567 0.300 . 2 . . . . 56 LEU CD2 . 10054 1 661 . 1 1 56 56 LEU N N 15 122.761 0.300 . 1 . . . . 56 LEU N . 10054 1 662 . 1 1 57 57 LYS H H 1 8.695 0.030 . 1 . . . . 57 LYS H . 10054 1 663 . 1 1 57 57 LYS HA H 1 4.571 0.030 . 1 . . . . 57 LYS HA . 10054 1 664 . 1 1 57 57 LYS HB2 H 1 1.678 0.030 . 1 . . . . 57 LYS HB2 . 10054 1 665 . 1 1 57 57 LYS HB3 H 1 1.678 0.030 . 1 . . . . 57 LYS HB3 . 10054 1 666 . 1 1 57 57 LYS HG2 H 1 1.253 0.030 . 2 . . . . 57 LYS HG2 . 10054 1 667 . 1 1 57 57 LYS HG3 H 1 1.398 0.030 . 2 . . . . 57 LYS HG3 . 10054 1 668 . 1 1 57 57 LYS HD2 H 1 1.644 0.030 . 1 . . . . 57 LYS HD2 . 10054 1 669 . 1 1 57 57 LYS HD3 H 1 1.644 0.030 . 1 . . . . 57 LYS HD3 . 10054 1 670 . 1 1 57 57 LYS HE2 H 1 3.008 0.030 . 1 . . . . 57 LYS HE2 . 10054 1 671 . 1 1 57 57 LYS HE3 H 1 3.008 0.030 . 1 . . . . 57 LYS HE3 . 10054 1 672 . 1 1 57 57 LYS C C 13 176.231 0.300 . 1 . . . . 57 LYS C . 10054 1 673 . 1 1 57 57 LYS CA C 13 53.986 0.300 . 1 . . . . 57 LYS CA . 10054 1 674 . 1 1 57 57 LYS CB C 13 35.930 0.300 . 1 . . . . 57 LYS CB . 10054 1 675 . 1 1 57 57 LYS CG C 13 23.929 0.300 . 1 . . . . 57 LYS CG . 10054 1 676 . 1 1 57 57 LYS CD C 13 28.878 0.300 . 1 . . . . 57 LYS CD . 10054 1 677 . 1 1 57 57 LYS CE C 13 42.327 0.300 . 1 . . . . 57 LYS CE . 10054 1 678 . 1 1 57 57 LYS N N 15 123.146 0.300 . 1 . . . . 57 LYS N . 10054 1 679 . 1 1 58 58 VAL H H 1 8.292 0.030 . 1 . . . . 58 VAL H . 10054 1 680 . 1 1 58 58 VAL HA H 1 3.287 0.030 . 1 . . . . 58 VAL HA . 10054 1 681 . 1 1 58 58 VAL HB H 1 1.868 0.030 . 1 . . . . 58 VAL HB . 10054 1 682 . 1 1 58 58 VAL HG11 H 1 0.961 0.030 . 1 . . . . 58 VAL HG1 . 10054 1 683 . 1 1 58 58 VAL HG12 H 1 0.961 0.030 . 1 . . . . 58 VAL HG1 . 10054 1 684 . 1 1 58 58 VAL HG13 H 1 0.961 0.030 . 1 . . . . 58 VAL HG1 . 10054 1 685 . 1 1 58 58 VAL HG21 H 1 0.961 0.030 . 1 . . . . 58 VAL HG2 . 10054 1 686 . 1 1 58 58 VAL HG22 H 1 0.961 0.030 . 1 . . . . 58 VAL HG2 . 10054 1 687 . 1 1 58 58 VAL HG23 H 1 0.961 0.030 . 1 . . . . 58 VAL HG2 . 10054 1 688 . 1 1 58 58 VAL C C 13 177.468 0.300 . 1 . . . . 58 VAL C . 10054 1 689 . 1 1 58 58 VAL CA C 13 65.401 0.300 . 1 . . . . 58 VAL CA . 10054 1 690 . 1 1 58 58 VAL CB C 13 31.389 0.300 . 1 . . . . 58 VAL CB . 10054 1 691 . 1 1 58 58 VAL CG1 C 13 23.251 0.300 . 2 . . . . 58 VAL CG1 . 10054 1 692 . 1 1 58 58 VAL CG2 C 13 21.278 0.300 . 2 . . . . 58 VAL CG2 . 10054 1 693 . 1 1 58 58 VAL N N 15 120.280 0.300 . 1 . . . . 58 VAL N . 10054 1 694 . 1 1 59 59 GLY H H 1 9.141 0.030 . 1 . . . . 59 GLY H . 10054 1 695 . 1 1 59 59 GLY HA2 H 1 4.484 0.030 . 2 . . . . 59 GLY HA2 . 10054 1 696 . 1 1 59 59 GLY HA3 H 1 3.484 0.030 . 2 . . . . 59 GLY HA3 . 10054 1 697 . 1 1 59 59 GLY C C 13 174.212 0.300 . 1 . . . . 59 GLY C . 10054 1 698 . 1 1 59 59 GLY CA C 13 44.609 0.300 . 1 . . . . 59 GLY CA . 10054 1 699 . 1 1 59 59 GLY N N 15 116.484 0.300 . 1 . . . . 59 GLY N . 10054 1 700 . 1 1 60 60 ASP H H 1 8.013 0.030 . 1 . . . . 60 ASP H . 10054 1 701 . 1 1 60 60 ASP HA H 1 4.635 0.030 . 1 . . . . 60 ASP HA . 10054 1 702 . 1 1 60 60 ASP HB2 H 1 2.845 0.030 . 2 . . . . 60 ASP HB2 . 10054 1 703 . 1 1 60 60 ASP HB3 H 1 2.426 0.030 . 2 . . . . 60 ASP HB3 . 10054 1 704 . 1 1 60 60 ASP C C 13 175.674 0.300 . 1 . . . . 60 ASP C . 10054 1 705 . 1 1 60 60 ASP CA C 13 55.392 0.300 . 1 . . . . 60 ASP CA . 10054 1 706 . 1 1 60 60 ASP CB C 13 40.798 0.300 . 1 . . . . 60 ASP CB . 10054 1 707 . 1 1 60 60 ASP N N 15 121.528 0.300 . 1 . . . . 60 ASP N . 10054 1 708 . 1 1 61 61 ASP H H 1 8.442 0.030 . 1 . . . . 61 ASP H . 10054 1 709 . 1 1 61 61 ASP HA H 1 5.310 0.030 . 1 . . . . 61 ASP HA . 10054 1 710 . 1 1 61 61 ASP HB2 H 1 2.647 0.030 . 1 . . . . 61 ASP HB2 . 10054 1 711 . 1 1 61 61 ASP HB3 H 1 2.647 0.030 . 1 . . . . 61 ASP HB3 . 10054 1 712 . 1 1 61 61 ASP C C 13 176.158 0.300 . 1 . . . . 61 ASP C . 10054 1 713 . 1 1 61 61 ASP CA C 13 54.372 0.300 . 1 . . . . 61 ASP CA . 10054 1 714 . 1 1 61 61 ASP CB C 13 42.271 0.300 . 1 . . . . 61 ASP CB . 10054 1 715 . 1 1 61 61 ASP N N 15 120.357 0.300 . 1 . . . . 61 ASP N . 10054 1 716 . 1 1 62 62 VAL H H 1 8.930 0.030 . 1 . . . . 62 VAL H . 10054 1 717 . 1 1 62 62 VAL HA H 1 5.310 0.030 . 1 . . . . 62 VAL HA . 10054 1 718 . 1 1 62 62 VAL HB H 1 2.043 0.030 . 1 . . . . 62 VAL HB . 10054 1 719 . 1 1 62 62 VAL HG11 H 1 0.703 0.030 . 1 . . . . 62 VAL HG1 . 10054 1 720 . 1 1 62 62 VAL HG12 H 1 0.703 0.030 . 1 . . . . 62 VAL HG1 . 10054 1 721 . 1 1 62 62 VAL HG13 H 1 0.703 0.030 . 1 . . . . 62 VAL HG1 . 10054 1 722 . 1 1 62 62 VAL HG21 H 1 0.601 0.030 . 1 . . . . 62 VAL HG2 . 10054 1 723 . 1 1 62 62 VAL HG22 H 1 0.601 0.030 . 1 . . . . 62 VAL HG2 . 10054 1 724 . 1 1 62 62 VAL HG23 H 1 0.601 0.030 . 1 . . . . 62 VAL HG2 . 10054 1 725 . 1 1 62 62 VAL C C 13 172.950 0.300 . 1 . . . . 62 VAL C . 10054 1 726 . 1 1 62 62 VAL CA C 13 58.717 0.300 . 1 . . . . 62 VAL CA . 10054 1 727 . 1 1 62 62 VAL CB C 13 36.830 0.300 . 1 . . . . 62 VAL CB . 10054 1 728 . 1 1 62 62 VAL CG1 C 13 22.018 0.300 . 2 . . . . 62 VAL CG1 . 10054 1 729 . 1 1 62 62 VAL CG2 C 13 17.989 0.300 . 2 . . . . 62 VAL CG2 . 10054 1 730 . 1 1 62 62 VAL N N 15 114.745 0.300 . 1 . . . . 62 VAL N . 10054 1 731 . 1 1 63 63 GLU H H 1 9.115 0.030 . 1 . . . . 63 GLU H . 10054 1 732 . 1 1 63 63 GLU HA H 1 5.240 0.030 . 1 . . . . 63 GLU HA . 10054 1 733 . 1 1 63 63 GLU HB2 H 1 1.857 0.030 . 1 . . . . 63 GLU HB2 . 10054 1 734 . 1 1 63 63 GLU HB3 H 1 1.857 0.030 . 1 . . . . 63 GLU HB3 . 10054 1 735 . 1 1 63 63 GLU HG2 H 1 2.098 0.030 . 2 . . . . 63 GLU HG2 . 10054 1 736 . 1 1 63 63 GLU HG3 H 1 2.039 0.030 . 2 . . . . 63 GLU HG3 . 10054 1 737 . 1 1 63 63 GLU C C 13 174.586 0.300 . 1 . . . . 63 GLU C . 10054 1 738 . 1 1 63 63 GLU CA C 13 53.739 0.300 . 1 . . . . 63 GLU CA . 10054 1 739 . 1 1 63 63 GLU CB C 13 34.621 0.300 . 1 . . . . 63 GLU CB . 10054 1 740 . 1 1 63 63 GLU CG C 13 38.052 0.300 . 1 . . . . 63 GLU CG . 10054 1 741 . 1 1 63 63 GLU N N 15 122.175 0.300 . 1 . . . . 63 GLU N . 10054 1 742 . 1 1 64 64 PHE H H 1 8.390 0.030 . 1 . . . . 64 PHE H . 10054 1 743 . 1 1 64 64 PHE HA H 1 5.112 0.030 . 1 . . . . 64 PHE HA . 10054 1 744 . 1 1 64 64 PHE HB2 H 1 3.205 0.030 . 2 . . . . 64 PHE HB2 . 10054 1 745 . 1 1 64 64 PHE HB3 H 1 2.868 0.030 . 2 . . . . 64 PHE HB3 . 10054 1 746 . 1 1 64 64 PHE HD1 H 1 6.596 0.030 . 1 . . . . 64 PHE HD1 . 10054 1 747 . 1 1 64 64 PHE HD2 H 1 6.596 0.030 . 1 . . . . 64 PHE HD2 . 10054 1 748 . 1 1 64 64 PHE HE1 H 1 6.823 0.030 . 1 . . . . 64 PHE HE1 . 10054 1 749 . 1 1 64 64 PHE HE2 H 1 6.823 0.030 . 1 . . . . 64 PHE HE2 . 10054 1 750 . 1 1 64 64 PHE HZ H 1 7.226 0.030 . 1 . . . . 64 PHE HZ . 10054 1 751 . 1 1 64 64 PHE C C 13 172.022 0.300 . 1 . . . . 64 PHE C . 10054 1 752 . 1 1 64 64 PHE CA C 13 56.483 0.300 . 1 . . . . 64 PHE CA . 10054 1 753 . 1 1 64 64 PHE CB C 13 40.266 0.300 . 1 . . . . 64 PHE CB . 10054 1 754 . 1 1 64 64 PHE CD1 C 13 131.964 0.300 . 1 . . . . 64 PHE CD1 . 10054 1 755 . 1 1 64 64 PHE CD2 C 13 131.964 0.300 . 1 . . . . 64 PHE CD2 . 10054 1 756 . 1 1 64 64 PHE CE1 C 13 130.757 0.300 . 1 . . . . 64 PHE CE1 . 10054 1 757 . 1 1 64 64 PHE CE2 C 13 130.757 0.300 . 1 . . . . 64 PHE CE2 . 10054 1 758 . 1 1 64 64 PHE CZ C 13 130.395 0.300 . 1 . . . . 64 PHE CZ . 10054 1 759 . 1 1 64 64 PHE N N 15 121.367 0.300 . 1 . . . . 64 PHE N . 10054 1 760 . 1 1 65 65 GLU H H 1 8.722 0.030 . 1 . . . . 65 GLU H . 10054 1 761 . 1 1 65 65 GLU HA H 1 4.996 0.030 . 1 . . . . 65 GLU HA . 10054 1 762 . 1 1 65 65 GLU HB2 H 1 1.961 0.030 . 1 . . . . 65 GLU HB2 . 10054 1 763 . 1 1 65 65 GLU HB3 H 1 1.961 0.030 . 1 . . . . 65 GLU HB3 . 10054 1 764 . 1 1 65 65 GLU HG2 H 1 2.124 0.030 . 2 . . . . 65 GLU HG2 . 10054 1 765 . 1 1 65 65 GLU HG3 H 1 2.068 0.030 . 2 . . . . 65 GLU HG3 . 10054 1 766 . 1 1 65 65 GLU C C 13 174.980 0.300 . 1 . . . . 65 GLU C . 10054 1 767 . 1 1 65 65 GLU CA C 13 53.915 0.300 . 1 . . . . 65 GLU CA . 10054 1 768 . 1 1 65 65 GLU CB C 13 33.380 0.300 . 1 . . . . 65 GLU CB . 10054 1 769 . 1 1 65 65 GLU CG C 13 36.243 0.300 . 1 . . . . 65 GLU CG . 10054 1 770 . 1 1 65 65 GLU N N 15 117.162 0.300 . 1 . . . . 65 GLU N . 10054 1 771 . 1 1 66 66 VAL H H 1 9.054 0.030 . 1 . . . . 66 VAL H . 10054 1 772 . 1 1 66 66 VAL HA H 1 4.763 0.030 . 1 . . . . 66 VAL HA . 10054 1 773 . 1 1 66 66 VAL HB H 1 2.066 0.030 . 1 . . . . 66 VAL HB . 10054 1 774 . 1 1 66 66 VAL HG11 H 1 1.054 0.030 . 1 . . . . 66 VAL HG1 . 10054 1 775 . 1 1 66 66 VAL HG12 H 1 1.054 0.030 . 1 . . . . 66 VAL HG1 . 10054 1 776 . 1 1 66 66 VAL HG13 H 1 1.054 0.030 . 1 . . . . 66 VAL HG1 . 10054 1 777 . 1 1 66 66 VAL HG21 H 1 1.054 0.030 . 1 . . . . 66 VAL HG2 . 10054 1 778 . 1 1 66 66 VAL HG22 H 1 1.054 0.030 . 1 . . . . 66 VAL HG2 . 10054 1 779 . 1 1 66 66 VAL HG23 H 1 1.054 0.030 . 1 . . . . 66 VAL HG2 . 10054 1 780 . 1 1 66 66 VAL C C 13 176.594 0.300 . 1 . . . . 66 VAL C . 10054 1 781 . 1 1 66 66 VAL CA C 13 62.886 0.300 . 1 . . . . 66 VAL CA . 10054 1 782 . 1 1 66 66 VAL CB C 13 32.330 0.300 . 1 . . . . 66 VAL CB . 10054 1 783 . 1 1 66 66 VAL CG1 C 13 22.840 0.300 . 2 . . . . 66 VAL CG1 . 10054 1 784 . 1 1 66 66 VAL CG2 C 13 21.854 0.300 . 2 . . . . 66 VAL CG2 . 10054 1 785 . 1 1 66 66 VAL N N 15 123.954 0.300 . 1 . . . . 66 VAL N . 10054 1 786 . 1 1 67 67 SER H H 1 9.136 0.030 . 1 . . . . 67 SER H . 10054 1 787 . 1 1 67 67 SER HA H 1 4.833 0.030 . 1 . . . . 67 SER HA . 10054 1 788 . 1 1 67 67 SER HB2 H 1 3.787 0.030 . 2 . . . . 67 SER HB2 . 10054 1 789 . 1 1 67 67 SER HB3 H 1 3.496 0.030 . 2 . . . . 67 SER HB3 . 10054 1 790 . 1 1 67 67 SER C C 13 174.799 0.300 . 1 . . . . 67 SER C . 10054 1 791 . 1 1 67 67 SER CA C 13 54.882 0.300 . 1 . . . . 67 SER CA . 10054 1 792 . 1 1 67 67 SER CB C 13 65.246 0.300 . 1 . . . . 67 SER CB . 10054 1 793 . 1 1 67 67 SER N N 15 123.292 0.300 . 1 . . . . 67 SER N . 10054 1 794 . 1 1 68 68 SER H H 1 8.689 0.030 . 1 . . . . 68 SER H . 10054 1 795 . 1 1 68 68 SER HA H 1 5.041 0.030 . 1 . . . . 68 SER HA . 10054 1 796 . 1 1 68 68 SER HB2 H 1 3.604 0.030 . 2 . . . . 68 SER HB2 . 10054 1 797 . 1 1 68 68 SER HB3 H 1 3.494 0.030 . 2 . . . . 68 SER HB3 . 10054 1 798 . 1 1 68 68 SER C C 13 173.701 0.300 . 1 . . . . 68 SER C . 10054 1 799 . 1 1 68 68 SER CA C 13 56.993 0.300 . 1 . . . . 68 SER CA . 10054 1 800 . 1 1 68 68 SER CB C 13 65.091 0.300 . 1 . . . . 68 SER CB . 10054 1 801 . 1 1 68 68 SER N N 15 116.353 0.300 . 1 . . . . 68 SER N . 10054 1 802 . 1 1 69 69 ASP H H 1 8.934 0.030 . 1 . . . . 69 ASP H . 10054 1 803 . 1 1 69 69 ASP HA H 1 4.566 0.030 . 1 . . . . 69 ASP HA . 10054 1 804 . 1 1 69 69 ASP HB2 H 1 2.957 0.030 . 2 . . . . 69 ASP HB2 . 10054 1 805 . 1 1 69 69 ASP HB3 H 1 2.566 0.030 . 2 . . . . 69 ASP HB3 . 10054 1 806 . 1 1 69 69 ASP C C 13 177.799 0.300 . 1 . . . . 69 ASP C . 10054 1 807 . 1 1 69 69 ASP CA C 13 54.249 0.300 . 1 . . . . 69 ASP CA . 10054 1 808 . 1 1 69 69 ASP CB C 13 42.966 0.300 . 1 . . . . 69 ASP CB . 10054 1 809 . 1 1 69 69 ASP N N 15 125.572 0.300 . 1 . . . . 69 ASP N . 10054 1 810 . 1 1 70 70 ARG H H 1 8.971 0.030 . 1 . . . . 70 ARG H . 10054 1 811 . 1 1 70 70 ARG HA H 1 4.038 0.030 . 1 . . . . 70 ARG HA . 10054 1 812 . 1 1 70 70 ARG HB2 H 1 1.905 0.030 . 1 . . . . 70 ARG HB2 . 10054 1 813 . 1 1 70 70 ARG HB3 H 1 1.905 0.030 . 1 . . . . 70 ARG HB3 . 10054 1 814 . 1 1 70 70 ARG HG2 H 1 1.728 0.030 . 1 . . . . 70 ARG HG2 . 10054 1 815 . 1 1 70 70 ARG HG3 H 1 1.728 0.030 . 1 . . . . 70 ARG HG3 . 10054 1 816 . 1 1 70 70 ARG HD2 H 1 3.240 0.030 . 1 . . . . 70 ARG HD2 . 10054 1 817 . 1 1 70 70 ARG HD3 H 1 3.240 0.030 . 1 . . . . 70 ARG HD3 . 10054 1 818 . 1 1 70 70 ARG HE H 1 8.265 0.030 . 1 . . . . 70 ARG HE . 10054 1 819 . 1 1 70 70 ARG C C 13 177.374 0.300 . 1 . . . . 70 ARG C . 10054 1 820 . 1 1 70 70 ARG CA C 13 58.647 0.300 . 1 . . . . 70 ARG CA . 10054 1 821 . 1 1 70 70 ARG CB C 13 30.059 0.300 . 1 . . . . 70 ARG CB . 10054 1 822 . 1 1 70 70 ARG CG C 13 27.188 0.300 . 1 . . . . 70 ARG CG . 10054 1 823 . 1 1 70 70 ARG CD C 13 43.067 0.300 . 1 . . . . 70 ARG CD . 10054 1 824 . 1 1 70 70 ARG N N 15 127.998 0.300 . 1 . . . . 70 ARG N . 10054 1 825 . 1 1 70 70 ARG NE N 15 110.207 0.300 . 1 . . . . 70 ARG NE . 10054 1 826 . 1 1 71 71 ARG H H 1 8.556 0.030 . 1 . . . . 71 ARG H . 10054 1 827 . 1 1 71 71 ARG HA H 1 4.292 0.030 . 1 . . . . 71 ARG HA . 10054 1 828 . 1 1 71 71 ARG HB2 H 1 1.954 0.030 . 1 . . . . 71 ARG HB2 . 10054 1 829 . 1 1 71 71 ARG HB3 H 1 1.954 0.030 . 1 . . . . 71 ARG HB3 . 10054 1 830 . 1 1 71 71 ARG HG2 H 1 1.688 0.030 . 2 . . . . 71 ARG HG2 . 10054 1 831 . 1 1 71 71 ARG HG3 H 1 1.573 0.030 . 2 . . . . 71 ARG HG3 . 10054 1 832 . 1 1 71 71 ARG HD2 H 1 3.238 0.030 . 1 . . . . 71 ARG HD2 . 10054 1 833 . 1 1 71 71 ARG HD3 H 1 3.238 0.030 . 1 . . . . 71 ARG HD3 . 10054 1 834 . 1 1 71 71 ARG HE H 1 8.265 0.030 . 1 . . . . 71 ARG HE . 10054 1 835 . 1 1 71 71 ARG C C 13 178.247 0.300 . 1 . . . . 71 ARG C . 10054 1 836 . 1 1 71 71 ARG CA C 13 58.418 0.300 . 1 . . . . 71 ARG CA . 10054 1 837 . 1 1 71 71 ARG CB C 13 30.930 0.300 . 1 . . . . 71 ARG CB . 10054 1 838 . 1 1 71 71 ARG CG C 13 27.550 0.300 . 1 . . . . 71 ARG CG . 10054 1 839 . 1 1 71 71 ARG CD C 13 43.122 0.300 . 1 . . . . 71 ARG CD . 10054 1 840 . 1 1 71 71 ARG N N 15 117.455 0.300 . 1 . . . . 71 ARG N . 10054 1 841 . 1 1 71 71 ARG NE N 15 110.207 0.300 . 1 . . . . 71 ARG NE . 10054 1 842 . 1 1 72 72 THR H H 1 8.054 0.030 . 1 . . . . 72 THR H . 10054 1 843 . 1 1 72 72 THR HA H 1 4.428 0.030 . 1 . . . . 72 THR HA . 10054 1 844 . 1 1 72 72 THR HB H 1 4.317 0.030 . 1 . . . . 72 THR HB . 10054 1 845 . 1 1 72 72 THR HG21 H 1 1.146 0.030 . 1 . . . . 72 THR HG2 . 10054 1 846 . 1 1 72 72 THR HG22 H 1 1.146 0.030 . 1 . . . . 72 THR HG2 . 10054 1 847 . 1 1 72 72 THR HG23 H 1 1.146 0.030 . 1 . . . . 72 THR HG2 . 10054 1 848 . 1 1 72 72 THR C C 13 176.536 0.300 . 1 . . . . 72 THR C . 10054 1 849 . 1 1 72 72 THR CA C 13 61.953 0.300 . 1 . . . . 72 THR CA . 10054 1 850 . 1 1 72 72 THR CB C 13 71.368 0.300 . 1 . . . . 72 THR CB . 10054 1 851 . 1 1 72 72 THR CG2 C 13 21.153 0.300 . 1 . . . . 72 THR CG2 . 10054 1 852 . 1 1 72 72 THR N N 15 106.477 0.300 . 1 . . . . 72 THR N . 10054 1 853 . 1 1 73 73 GLY H H 1 8.455 0.030 . 1 . . . . 73 GLY H . 10054 1 854 . 1 1 73 73 GLY HA2 H 1 4.191 0.030 . 2 . . . . 73 GLY HA2 . 10054 1 855 . 1 1 73 73 GLY HA3 H 1 3.807 0.030 . 2 . . . . 73 GLY HA3 . 10054 1 856 . 1 1 73 73 GLY C C 13 173.891 0.300 . 1 . . . . 73 GLY C . 10054 1 857 . 1 1 73 73 GLY CA C 13 45.778 0.300 . 1 . . . . 73 GLY CA . 10054 1 858 . 1 1 73 73 GLY N N 15 111.339 0.300 . 1 . . . . 73 GLY N . 10054 1 859 . 1 1 74 74 LYS H H 1 7.641 0.030 . 1 . . . . 74 LYS H . 10054 1 860 . 1 1 74 74 LYS HA H 1 4.573 0.030 . 1 . . . . 74 LYS HA . 10054 1 861 . 1 1 74 74 LYS HB2 H 1 1.836 0.030 . 2 . . . . 74 LYS HB2 . 10054 1 862 . 1 1 74 74 LYS HB3 H 1 1.663 0.030 . 2 . . . . 74 LYS HB3 . 10054 1 863 . 1 1 74 74 LYS HG2 H 1 1.441 0.030 . 1 . . . . 74 LYS HG2 . 10054 1 864 . 1 1 74 74 LYS HG3 H 1 1.441 0.030 . 1 . . . . 74 LYS HG3 . 10054 1 865 . 1 1 74 74 LYS HD2 H 1 1.629 0.030 . 1 . . . . 74 LYS HD2 . 10054 1 866 . 1 1 74 74 LYS HD3 H 1 1.629 0.030 . 1 . . . . 74 LYS HD3 . 10054 1 867 . 1 1 74 74 LYS HE2 H 1 2.903 0.030 . 1 . . . . 74 LYS HE2 . 10054 1 868 . 1 1 74 74 LYS HE3 H 1 2.903 0.030 . 1 . . . . 74 LYS HE3 . 10054 1 869 . 1 1 74 74 LYS C C 13 174.017 0.300 . 1 . . . . 74 LYS C . 10054 1 870 . 1 1 74 74 LYS CA C 13 54.589 0.300 . 1 . . . . 74 LYS CA . 10054 1 871 . 1 1 74 74 LYS CB C 13 32.379 0.300 . 1 . . . . 74 LYS CB . 10054 1 872 . 1 1 74 74 LYS CG C 13 24.854 0.300 . 1 . . . . 74 LYS CG . 10054 1 873 . 1 1 74 74 LYS CD C 13 28.855 0.300 . 1 . . . . 74 LYS CD . 10054 1 874 . 1 1 74 74 LYS CE C 13 42.234 0.300 . 1 . . . . 74 LYS CE . 10054 1 875 . 1 1 74 74 LYS N N 15 121.205 0.300 . 1 . . . . 74 LYS N . 10054 1 876 . 1 1 75 75 PRO HA H 1 4.950 0.030 . 1 . . . . 75 PRO HA . 10054 1 877 . 1 1 75 75 PRO HB2 H 1 2.220 0.030 . 2 . . . . 75 PRO HB2 . 10054 1 878 . 1 1 75 75 PRO HB3 H 1 1.838 0.030 . 2 . . . . 75 PRO HB3 . 10054 1 879 . 1 1 75 75 PRO HG2 H 1 2.182 0.030 . 2 . . . . 75 PRO HG2 . 10054 1 880 . 1 1 75 75 PRO HG3 H 1 2.073 0.030 . 2 . . . . 75 PRO HG3 . 10054 1 881 . 1 1 75 75 PRO HD2 H 1 3.697 0.030 . 2 . . . . 75 PRO HD2 . 10054 1 882 . 1 1 75 75 PRO HD3 H 1 3.952 0.030 . 2 . . . . 75 PRO HD3 . 10054 1 883 . 1 1 75 75 PRO C C 13 176.212 0.300 . 1 . . . . 75 PRO C . 10054 1 884 . 1 1 75 75 PRO CA C 13 62.992 0.300 . 1 . . . . 75 PRO CA . 10054 1 885 . 1 1 75 75 PRO CB C 13 32.017 0.300 . 1 . . . . 75 PRO CB . 10054 1 886 . 1 1 75 75 PRO CG C 13 27.691 0.300 . 1 . . . . 75 PRO CG . 10054 1 887 . 1 1 75 75 PRO CD C 13 50.606 0.300 . 1 . . . . 75 PRO CD . 10054 1 888 . 1 1 76 76 ILE H H 1 8.219 0.030 . 1 . . . . 76 ILE H . 10054 1 889 . 1 1 76 76 ILE HA H 1 5.017 0.030 . 1 . . . . 76 ILE HA . 10054 1 890 . 1 1 76 76 ILE HB H 1 2.085 0.030 . 1 . . . . 76 ILE HB . 10054 1 891 . 1 1 76 76 ILE HG12 H 1 1.241 0.030 . 2 . . . . 76 ILE HG12 . 10054 1 892 . 1 1 76 76 ILE HG13 H 1 0.859 0.030 . 2 . . . . 76 ILE HG13 . 10054 1 893 . 1 1 76 76 ILE HG21 H 1 0.992 0.030 . 1 . . . . 76 ILE HG2 . 10054 1 894 . 1 1 76 76 ILE HG22 H 1 0.992 0.030 . 1 . . . . 76 ILE HG2 . 10054 1 895 . 1 1 76 76 ILE HG23 H 1 0.992 0.030 . 1 . . . . 76 ILE HG2 . 10054 1 896 . 1 1 76 76 ILE HD11 H 1 0.861 0.030 . 1 . . . . 76 ILE HD1 . 10054 1 897 . 1 1 76 76 ILE HD12 H 1 0.861 0.030 . 1 . . . . 76 ILE HD1 . 10054 1 898 . 1 1 76 76 ILE HD13 H 1 0.861 0.030 . 1 . . . . 76 ILE HD1 . 10054 1 899 . 1 1 76 76 ILE C C 13 173.533 0.300 . 1 . . . . 76 ILE C . 10054 1 900 . 1 1 76 76 ILE CA C 13 59.901 0.300 . 1 . . . . 76 ILE CA . 10054 1 901 . 1 1 76 76 ILE CB C 13 43.089 0.300 . 1 . . . . 76 ILE CB . 10054 1 902 . 1 1 76 76 ILE CG1 C 13 25.981 0.300 . 1 . . . . 76 ILE CG1 . 10054 1 903 . 1 1 76 76 ILE CG2 C 13 18.729 0.300 . 1 . . . . 76 ILE CG2 . 10054 1 904 . 1 1 76 76 ILE CD1 C 13 13.910 0.300 . 1 . . . . 76 ILE CD1 . 10054 1 905 . 1 1 76 76 ILE N N 15 116.688 0.300 . 1 . . . . 76 ILE N . 10054 1 906 . 1 1 77 77 ALA H H 1 8.685 0.030 . 1 . . . . 77 ALA H . 10054 1 907 . 1 1 77 77 ALA HA H 1 5.195 0.030 . 1 . . . . 77 ALA HA . 10054 1 908 . 1 1 77 77 ALA HB1 H 1 0.787 0.030 . 1 . . . . 77 ALA HB . 10054 1 909 . 1 1 77 77 ALA HB2 H 1 0.787 0.030 . 1 . . . . 77 ALA HB . 10054 1 910 . 1 1 77 77 ALA HB3 H 1 0.787 0.030 . 1 . . . . 77 ALA HB . 10054 1 911 . 1 1 77 77 ALA C C 13 175.951 0.300 . 1 . . . . 77 ALA C . 10054 1 912 . 1 1 77 77 ALA CA C 13 50.485 0.300 . 1 . . . . 77 ALA CA . 10054 1 913 . 1 1 77 77 ALA CB C 13 21.756 0.300 . 1 . . . . 77 ALA CB . 10054 1 914 . 1 1 77 77 ALA N N 15 124.440 0.300 . 1 . . . . 77 ALA N . 10054 1 915 . 1 1 78 78 VAL H H 1 9.176 0.030 . 1 . . . . 78 VAL H . 10054 1 916 . 1 1 78 78 VAL HA H 1 4.670 0.030 . 1 . . . . 78 VAL HA . 10054 1 917 . 1 1 78 78 VAL HB H 1 2.385 0.030 . 1 . . . . 78 VAL HB . 10054 1 918 . 1 1 78 78 VAL HG11 H 1 0.933 0.030 . 1 . . . . 78 VAL HG1 . 10054 1 919 . 1 1 78 78 VAL HG12 H 1 0.933 0.030 . 1 . . . . 78 VAL HG1 . 10054 1 920 . 1 1 78 78 VAL HG13 H 1 0.933 0.030 . 1 . . . . 78 VAL HG1 . 10054 1 921 . 1 1 78 78 VAL HG21 H 1 0.776 0.030 . 1 . . . . 78 VAL HG2 . 10054 1 922 . 1 1 78 78 VAL HG22 H 1 0.776 0.030 . 1 . . . . 78 VAL HG2 . 10054 1 923 . 1 1 78 78 VAL HG23 H 1 0.776 0.030 . 1 . . . . 78 VAL HG2 . 10054 1 924 . 1 1 78 78 VAL C C 13 174.602 0.300 . 1 . . . . 78 VAL C . 10054 1 925 . 1 1 78 78 VAL CA C 13 58.752 0.300 . 1 . . . . 78 VAL CA . 10054 1 926 . 1 1 78 78 VAL CB C 13 36.012 0.300 . 1 . . . . 78 VAL CB . 10054 1 927 . 1 1 78 78 VAL CG1 C 13 22.481 0.300 . 2 . . . . 78 VAL CG1 . 10054 1 928 . 1 1 78 78 VAL CG2 C 13 18.976 0.300 . 2 . . . . 78 VAL CG2 . 10054 1 929 . 1 1 78 78 VAL N N 15 112.123 0.300 . 1 . . . . 78 VAL N . 10054 1 930 . 1 1 79 79 LYS H H 1 9.127 0.030 . 1 . . . . 79 LYS H . 10054 1 931 . 1 1 79 79 LYS HA H 1 4.003 0.030 . 1 . . . . 79 LYS HA . 10054 1 932 . 1 1 79 79 LYS HB2 H 1 1.798 0.030 . 2 . . . . 79 LYS HB2 . 10054 1 933 . 1 1 79 79 LYS HB3 H 1 1.927 0.030 . 2 . . . . 79 LYS HB3 . 10054 1 934 . 1 1 79 79 LYS HG2 H 1 1.468 0.030 . 1 . . . . 79 LYS HG2 . 10054 1 935 . 1 1 79 79 LYS HG3 H 1 1.468 0.030 . 1 . . . . 79 LYS HG3 . 10054 1 936 . 1 1 79 79 LYS HD2 H 1 1.706 0.030 . 1 . . . . 79 LYS HD2 . 10054 1 937 . 1 1 79 79 LYS HD3 H 1 1.706 0.030 . 1 . . . . 79 LYS HD3 . 10054 1 938 . 1 1 79 79 LYS HE2 H 1 3.017 0.030 . 2 . . . . 79 LYS HE2 . 10054 1 939 . 1 1 79 79 LYS HE3 H 1 2.961 0.030 . 2 . . . . 79 LYS HE3 . 10054 1 940 . 1 1 79 79 LYS C C 13 176.011 0.300 . 1 . . . . 79 LYS C . 10054 1 941 . 1 1 79 79 LYS CA C 13 57.366 0.300 . 1 . . . . 79 LYS CA . 10054 1 942 . 1 1 79 79 LYS CB C 13 30.568 0.300 . 1 . . . . 79 LYS CB . 10054 1 943 . 1 1 79 79 LYS CG C 13 25.740 0.300 . 1 . . . . 79 LYS CG . 10054 1 944 . 1 1 79 79 LYS CD C 13 29.723 0.300 . 1 . . . . 79 LYS CD . 10054 1 945 . 1 1 79 79 LYS CE C 13 42.409 0.300 . 1 . . . . 79 LYS CE . 10054 1 946 . 1 1 79 79 LYS N N 15 117.323 0.300 . 1 . . . . 79 LYS N . 10054 1 947 . 1 1 80 80 LEU H H 1 8.094 0.030 . 1 . . . . 80 LEU H . 10054 1 948 . 1 1 80 80 LEU HA H 1 5.182 0.030 . 1 . . . . 80 LEU HA . 10054 1 949 . 1 1 80 80 LEU HB2 H 1 1.515 0.030 . 2 . . . . 80 LEU HB2 . 10054 1 950 . 1 1 80 80 LEU HB3 H 1 1.457 0.030 . 2 . . . . 80 LEU HB3 . 10054 1 951 . 1 1 80 80 LEU HG H 1 1.302 0.030 . 1 . . . . 80 LEU HG . 10054 1 952 . 1 1 80 80 LEU HD11 H 1 -0.210 0.030 . 1 . . . . 80 LEU HD1 . 10054 1 953 . 1 1 80 80 LEU HD12 H 1 -0.210 0.030 . 1 . . . . 80 LEU HD1 . 10054 1 954 . 1 1 80 80 LEU HD13 H 1 -0.210 0.030 . 1 . . . . 80 LEU HD1 . 10054 1 955 . 1 1 80 80 LEU HD21 H 1 0.430 0.030 . 1 . . . . 80 LEU HD2 . 10054 1 956 . 1 1 80 80 LEU HD22 H 1 0.430 0.030 . 1 . . . . 80 LEU HD2 . 10054 1 957 . 1 1 80 80 LEU HD23 H 1 0.430 0.030 . 1 . . . . 80 LEU HD2 . 10054 1 958 . 1 1 80 80 LEU C C 13 177.729 0.300 . 1 . . . . 80 LEU C . 10054 1 959 . 1 1 80 80 LEU CA C 13 56.888 0.300 . 1 . . . . 80 LEU CA . 10054 1 960 . 1 1 80 80 LEU CB C 13 45.900 0.300 . 1 . . . . 80 LEU CB . 10054 1 961 . 1 1 80 80 LEU CG C 13 30.327 0.300 . 1 . . . . 80 LEU CG . 10054 1 962 . 1 1 80 80 LEU CD1 C 13 26.458 0.300 . 2 . . . . 80 LEU CD1 . 10054 1 963 . 1 1 80 80 LEU CD2 C 13 24.291 0.300 . 2 . . . . 80 LEU CD2 . 10054 1 964 . 1 1 80 80 LEU N N 15 120.364 0.300 . 1 . . . . 80 LEU N . 10054 1 965 . 1 1 81 81 VAL H H 1 9.126 0.030 . 1 . . . . 81 VAL H . 10054 1 966 . 1 1 81 81 VAL HA H 1 4.454 0.030 . 1 . . . . 81 VAL HA . 10054 1 967 . 1 1 81 81 VAL HB H 1 2.009 0.030 . 1 . . . . 81 VAL HB . 10054 1 968 . 1 1 81 81 VAL HG11 H 1 0.868 0.030 . 1 . . . . 81 VAL HG1 . 10054 1 969 . 1 1 81 81 VAL HG12 H 1 0.868 0.030 . 1 . . . . 81 VAL HG1 . 10054 1 970 . 1 1 81 81 VAL HG13 H 1 0.868 0.030 . 1 . . . . 81 VAL HG1 . 10054 1 971 . 1 1 81 81 VAL HG21 H 1 0.940 0.030 . 1 . . . . 81 VAL HG2 . 10054 1 972 . 1 1 81 81 VAL HG22 H 1 0.940 0.030 . 1 . . . . 81 VAL HG2 . 10054 1 973 . 1 1 81 81 VAL HG23 H 1 0.940 0.030 . 1 . . . . 81 VAL HG2 . 10054 1 974 . 1 1 81 81 VAL C C 13 174.867 0.300 . 1 . . . . 81 VAL C . 10054 1 975 . 1 1 81 81 VAL CA C 13 60.617 0.300 . 1 . . . . 81 VAL CA . 10054 1 976 . 1 1 81 81 VAL CB C 13 36.415 0.300 . 1 . . . . 81 VAL CB . 10054 1 977 . 1 1 81 81 VAL CG1 C 13 20.791 0.300 . 2 . . . . 81 VAL CG1 . 10054 1 978 . 1 1 81 81 VAL CG2 C 13 21.394 0.300 . 2 . . . . 81 VAL CG2 . 10054 1 979 . 1 1 81 81 VAL N N 15 118.114 0.300 . 1 . . . . 81 VAL N . 10054 1 980 . 1 1 82 82 LYS H H 1 8.898 0.030 . 1 . . . . 82 LYS H . 10054 1 981 . 1 1 82 82 LYS HA H 1 4.695 0.030 . 1 . . . . 82 LYS HA . 10054 1 982 . 1 1 82 82 LYS HB2 H 1 1.935 0.030 . 1 . . . . 82 LYS HB2 . 10054 1 983 . 1 1 82 82 LYS HB3 H 1 1.935 0.030 . 1 . . . . 82 LYS HB3 . 10054 1 984 . 1 1 82 82 LYS HG2 H 1 1.609 0.030 . 2 . . . . 82 LYS HG2 . 10054 1 985 . 1 1 82 82 LYS HG3 H 1 1.356 0.030 . 2 . . . . 82 LYS HG3 . 10054 1 986 . 1 1 82 82 LYS HD2 H 1 1.683 0.030 . 1 . . . . 82 LYS HD2 . 10054 1 987 . 1 1 82 82 LYS HD3 H 1 1.683 0.030 . 1 . . . . 82 LYS HD3 . 10054 1 988 . 1 1 82 82 LYS HE2 H 1 2.876 0.030 . 2 . . . . 82 LYS HE2 . 10054 1 989 . 1 1 82 82 LYS HE3 H 1 2.986 0.030 . 2 . . . . 82 LYS HE3 . 10054 1 990 . 1 1 82 82 LYS C C 13 176.600 0.300 . 1 . . . . 82 LYS C . 10054 1 991 . 1 1 82 82 LYS CA C 13 57.486 0.300 . 1 . . . . 82 LYS CA . 10054 1 992 . 1 1 82 82 LYS CB C 13 33.465 0.300 . 1 . . . . 82 LYS CB . 10054 1 993 . 1 1 82 82 LYS CG C 13 26.102 0.300 . 1 . . . . 82 LYS CG . 10054 1 994 . 1 1 82 82 LYS CD C 13 29.723 0.300 . 1 . . . . 82 LYS CD . 10054 1 995 . 1 1 82 82 LYS CE C 13 42.036 0.300 . 1 . . . . 82 LYS CE . 10054 1 996 . 1 1 82 82 LYS N N 15 125.572 0.300 . 1 . . . . 82 LYS N . 10054 1 997 . 1 1 83 83 ILE H H 1 8.201 0.030 . 1 . . . . 83 ILE H . 10054 1 998 . 1 1 83 83 ILE HA H 1 4.396 0.030 . 1 . . . . 83 ILE HA . 10054 1 999 . 1 1 83 83 ILE HB H 1 1.841 0.030 . 1 . . . . 83 ILE HB . 10054 1 1000 . 1 1 83 83 ILE HG12 H 1 1.332 0.030 . 2 . . . . 83 ILE HG12 . 10054 1 1001 . 1 1 83 83 ILE HG13 H 1 0.900 0.030 . 2 . . . . 83 ILE HG13 . 10054 1 1002 . 1 1 83 83 ILE HG21 H 1 0.874 0.030 . 1 . . . . 83 ILE HG2 . 10054 1 1003 . 1 1 83 83 ILE HG22 H 1 0.874 0.030 . 1 . . . . 83 ILE HG2 . 10054 1 1004 . 1 1 83 83 ILE HG23 H 1 0.874 0.030 . 1 . . . . 83 ILE HG2 . 10054 1 1005 . 1 1 83 83 ILE HD11 H 1 0.811 0.030 . 1 . . . . 83 ILE HD1 . 10054 1 1006 . 1 1 83 83 ILE HD12 H 1 0.811 0.030 . 1 . . . . 83 ILE HD1 . 10054 1 1007 . 1 1 83 83 ILE HD13 H 1 0.811 0.030 . 1 . . . . 83 ILE HD1 . 10054 1 1008 . 1 1 83 83 ILE C C 13 175.857 0.300 . 1 . . . . 83 ILE C . 10054 1 1009 . 1 1 83 83 ILE CA C 13 60.866 0.300 . 1 . . . . 83 ILE CA . 10054 1 1010 . 1 1 83 83 ILE CB C 13 39.203 0.300 . 1 . . . . 83 ILE CB . 10054 1 1011 . 1 1 83 83 ILE CG1 C 13 26.951 0.300 . 1 . . . . 83 ILE CG1 . 10054 1 1012 . 1 1 83 83 ILE CG2 C 13 17.907 0.300 . 1 . . . . 83 ILE CG2 . 10054 1 1013 . 1 1 83 83 ILE CD1 C 13 13.302 0.300 . 1 . . . . 83 ILE CD1 . 10054 1 1014 . 1 1 83 83 ILE N N 15 123.578 0.300 . 1 . . . . 83 ILE N . 10054 1 1015 . 1 1 84 84 SER H H 1 8.306 0.030 . 1 . . . . 84 SER H . 10054 1 1016 . 1 1 84 84 SER HA H 1 4.586 0.030 . 1 . . . . 84 SER HA . 10054 1 1017 . 1 1 84 84 SER HB2 H 1 3.940 0.030 . 1 . . . . 84 SER HB2 . 10054 1 1018 . 1 1 84 84 SER HB3 H 1 3.940 0.030 . 1 . . . . 84 SER HB3 . 10054 1 1019 . 1 1 84 84 SER C C 13 174.088 0.300 . 1 . . . . 84 SER C . 10054 1 1020 . 1 1 84 84 SER CA C 13 58.331 0.300 . 1 . . . . 84 SER CA . 10054 1 1021 . 1 1 84 84 SER CB C 13 64.125 0.300 . 1 . . . . 84 SER CB . 10054 1 1022 . 1 1 84 84 SER N N 15 118.445 0.300 . 1 . . . . 84 SER N . 10054 1 1023 . 1 1 85 85 GLY H H 1 8.069 0.030 . 1 . . . . 85 GLY H . 10054 1 1024 . 1 1 85 85 GLY HA2 H 1 3.795 0.030 . 1 . . . . 85 GLY HA2 . 10054 1 1025 . 1 1 85 85 GLY HA3 H 1 3.795 0.030 . 1 . . . . 85 GLY HA3 . 10054 1 1026 . 1 1 85 85 GLY C C 13 179.008 0.300 . 1 . . . . 85 GLY C . 10054 1 1027 . 1 1 85 85 GLY CA C 13 46.245 0.300 . 1 . . . . 85 GLY CA . 10054 1 1028 . 1 1 85 85 GLY N N 15 116.838 0.300 . 1 . . . . 85 GLY N . 10054 1 1029 . 1 1 86 86 PRO HA H 1 4.483 0.030 . 1 . . . . 86 PRO HA . 10054 1 1030 . 1 1 86 86 PRO HB2 H 1 2.310 0.030 . 2 . . . . 86 PRO HB2 . 10054 1 1031 . 1 1 86 86 PRO HB3 H 1 1.990 0.030 . 2 . . . . 86 PRO HB3 . 10054 1 1032 . 1 1 86 86 PRO HG2 H 1 2.028 0.030 . 1 . . . . 86 PRO HG2 . 10054 1 1033 . 1 1 86 86 PRO HG3 H 1 2.028 0.030 . 1 . . . . 86 PRO HG3 . 10054 1 1034 . 1 1 86 86 PRO HD2 H 1 3.635 0.030 . 1 . . . . 86 PRO HD2 . 10054 1 1035 . 1 1 86 86 PRO HD3 H 1 3.635 0.030 . 1 . . . . 86 PRO HD3 . 10054 1 1036 . 1 1 86 86 PRO C C 13 177.463 0.300 . 1 . . . . 86 PRO C . 10054 1 1037 . 1 1 86 86 PRO CA C 13 63.273 0.300 . 1 . . . . 86 PRO CA . 10054 1 1038 . 1 1 86 86 PRO CB C 13 32.215 0.300 . 1 . . . . 86 PRO CB . 10054 1 1039 . 1 1 86 86 PRO CG C 13 27.188 0.300 . 1 . . . . 86 PRO CG . 10054 1 1040 . 1 1 86 86 PRO CD C 13 49.809 0.300 . 1 . . . . 86 PRO CD . 10054 1 1041 . 1 1 87 87 SER H H 1 8.579 0.030 . 1 . . . . 87 SER H . 10054 1 1042 . 1 1 87 87 SER HA H 1 4.479 0.030 . 1 . . . . 87 SER HA . 10054 1 1043 . 1 1 87 87 SER HB2 H 1 3.918 0.030 . 1 . . . . 87 SER HB2 . 10054 1 1044 . 1 1 87 87 SER HB3 H 1 3.918 0.030 . 1 . . . . 87 SER HB3 . 10054 1 1045 . 1 1 87 87 SER C C 13 174.764 0.300 . 1 . . . . 87 SER C . 10054 1 1046 . 1 1 87 87 SER CA C 13 58.365 0.300 . 1 . . . . 87 SER CA . 10054 1 1047 . 1 1 87 87 SER CB C 13 63.876 0.300 . 1 . . . . 87 SER CB . 10054 1 1048 . 1 1 87 87 SER N N 15 116.293 0.300 . 1 . . . . 87 SER N . 10054 1 1049 . 1 1 88 88 SER H H 1 8.585 0.030 . 1 . . . . 88 SER H . 10054 1 1050 . 1 1 88 88 SER HA H 1 4.531 0.030 . 1 . . . . 88 SER HA . 10054 1 1051 . 1 1 88 88 SER HB2 H 1 3.938 0.030 . 1 . . . . 88 SER HB2 . 10054 1 1052 . 1 1 88 88 SER HB3 H 1 3.938 0.030 . 1 . . . . 88 SER HB3 . 10054 1 1053 . 1 1 88 88 SER C C 13 175.079 0.300 . 1 . . . . 88 SER C . 10054 1 1054 . 1 1 88 88 SER CA C 13 58.576 0.300 . 1 . . . . 88 SER CA . 10054 1 1055 . 1 1 88 88 SER CB C 13 63.820 0.300 . 1 . . . . 88 SER CB . 10054 1 1056 . 1 1 88 88 SER N N 15 118.132 0.300 . 1 . . . . 88 SER N . 10054 1 1057 . 1 1 89 89 GLY H H 1 8.406 0.030 . 1 . . . . 89 GLY H . 10054 1 1058 . 1 1 89 89 GLY HA2 H 1 3.970 0.030 . 1 . . . . 89 GLY HA2 . 10054 1 1059 . 1 1 89 89 GLY HA3 H 1 3.970 0.030 . 1 . . . . 89 GLY HA3 . 10054 1 1060 . 1 1 89 89 GLY C C 13 174.454 0.300 . 1 . . . . 89 GLY C . 10054 1 1061 . 1 1 89 89 GLY CA C 13 45.471 0.300 . 1 . . . . 89 GLY CA . 10054 1 1062 . 1 1 89 89 GLY N N 15 110.739 0.300 . 1 . . . . 89 GLY N . 10054 1 stop_ save_