data_10033 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10033 _Entry.Title ; Soluiotn structure of J-domain of mouse DnaJ like protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-01 _Entry.Accession_date 2006-11-01 _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 N. Kobayashi . . . 10033 2 S. Koshiba . . . 10033 3 M. Inoue . . . 10033 4 N. Tochio . . . 10033 5 T. Tomizawa . . . 10033 6 T. Kigawa . . . 10033 7 S. Yokoyama . . . 10033 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' . 10033 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10033 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 401 10033 '15N chemical shifts' 92 10033 '1H chemical shifts' 638 10033 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 2006-11-01 original author . 10033 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WJZ 'BMRB Entry Tracking System' 10033 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10033 _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 J-domain of mouse DnaJ like 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 N. Kobayashi . . . 10033 1 2 S. Koshiba . . . 10033 1 3 M. Inoue . . . 10033 1 4 N. Tochio . . . 10033 1 5 T. Tomizawa . . . 10033 1 6 T. Kigawa . . . 10033 1 7 S. Yokoyama . . . 10033 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10033 _Assembly.ID 1 _Assembly.Name '1700030A21Rik 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' 10033 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 '1700030A21Rik protein' 1 $entity_1 . . yes native no no . . . 10033 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 1WJZ . . . . . . 10033 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10033 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name J-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 ; GSSGSSGMALEQTLKKDWYS ILGADPSANMSDLKQKYQKL ILLYHPDKQSADVPAGTMEE CMQKFIEIDQAWKILGNEET KKKYDLQRSGPSSG ; _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 94 _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 1WJZ . "Soluiotn Structure Of J-Domain Of Mouse Dnaj Like Protein" . . . . . 100.00 94 100.00 100.00 9.35e-61 . . . . 10033 1 2 no DBJ BAB24631 . "unnamed protein product [Mus musculus]" . . . . . 86.17 148 100.00 100.00 4.07e-51 . . . . 10033 1 3 no GB AAH30072 . "DnaJ (Hsp40) homolog, subfamily C, member 24 [Mus musculus]" . . . . . 86.17 148 100.00 100.00 4.07e-51 . . . . 10033 1 4 no GB AAH91774 . "DnaJ (Hsp40) homolog, subfamily C, member 24 [Mus musculus]" . . . . . 86.17 148 100.00 100.00 4.07e-51 . . . . 10033 1 5 no GB AAK21968 . "putative DnaJ-like protein [Mus musculus]" . . . . . 86.17 196 100.00 100.00 2.36e-50 . . . . 10033 1 6 no GB EDL27758 . "zinc finger, CSL-type containing 3, isoform CRA_c [Mus musculus]" . . . . . 86.17 148 100.00 100.00 3.61e-51 . . . . 10033 1 7 no REF NP_081268 . "dnaJ homolog subfamily C member 24 [Mus musculus]" . . . . . 86.17 148 100.00 100.00 4.07e-51 . . . . 10033 1 8 no SP Q91ZF0 . "RecName: Full=DnaJ homolog subfamily C member 24; AltName: Full=CSL-type zinc finger-containing protein 3; AltName: Full=Diphth" . . . . . 86.17 196 100.00 100.00 2.21e-50 . . . . 10033 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID J-domain . 10033 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 . 10033 1 2 . SER . 10033 1 3 . SER . 10033 1 4 . GLY . 10033 1 5 . SER . 10033 1 6 . SER . 10033 1 7 . GLY . 10033 1 8 . MET . 10033 1 9 . ALA . 10033 1 10 . LEU . 10033 1 11 . GLU . 10033 1 12 . GLN . 10033 1 13 . THR . 10033 1 14 . LEU . 10033 1 15 . LYS . 10033 1 16 . LYS . 10033 1 17 . ASP . 10033 1 18 . TRP . 10033 1 19 . TYR . 10033 1 20 . SER . 10033 1 21 . ILE . 10033 1 22 . LEU . 10033 1 23 . GLY . 10033 1 24 . ALA . 10033 1 25 . ASP . 10033 1 26 . PRO . 10033 1 27 . SER . 10033 1 28 . ALA . 10033 1 29 . ASN . 10033 1 30 . MET . 10033 1 31 . SER . 10033 1 32 . ASP . 10033 1 33 . LEU . 10033 1 34 . LYS . 10033 1 35 . GLN . 10033 1 36 . LYS . 10033 1 37 . TYR . 10033 1 38 . GLN . 10033 1 39 . LYS . 10033 1 40 . LEU . 10033 1 41 . ILE . 10033 1 42 . LEU . 10033 1 43 . LEU . 10033 1 44 . TYR . 10033 1 45 . HIS . 10033 1 46 . PRO . 10033 1 47 . ASP . 10033 1 48 . LYS . 10033 1 49 . GLN . 10033 1 50 . SER . 10033 1 51 . ALA . 10033 1 52 . ASP . 10033 1 53 . VAL . 10033 1 54 . PRO . 10033 1 55 . ALA . 10033 1 56 . GLY . 10033 1 57 . THR . 10033 1 58 . MET . 10033 1 59 . GLU . 10033 1 60 . GLU . 10033 1 61 . CYS . 10033 1 62 . MET . 10033 1 63 . GLN . 10033 1 64 . LYS . 10033 1 65 . PHE . 10033 1 66 . ILE . 10033 1 67 . GLU . 10033 1 68 . ILE . 10033 1 69 . ASP . 10033 1 70 . GLN . 10033 1 71 . ALA . 10033 1 72 . TRP . 10033 1 73 . LYS . 10033 1 74 . ILE . 10033 1 75 . LEU . 10033 1 76 . GLY . 10033 1 77 . ASN . 10033 1 78 . GLU . 10033 1 79 . GLU . 10033 1 80 . THR . 10033 1 81 . LYS . 10033 1 82 . LYS . 10033 1 83 . LYS . 10033 1 84 . TYR . 10033 1 85 . ASP . 10033 1 86 . LEU . 10033 1 87 . GLN . 10033 1 88 . ARG . 10033 1 89 . SER . 10033 1 90 . GLY . 10033 1 91 . PRO . 10033 1 92 . SER . 10033 1 93 . SER . 10033 1 94 . GLY . 10033 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 10033 1 . SER 2 2 10033 1 . SER 3 3 10033 1 . GLY 4 4 10033 1 . SER 5 5 10033 1 . SER 6 6 10033 1 . GLY 7 7 10033 1 . MET 8 8 10033 1 . ALA 9 9 10033 1 . LEU 10 10 10033 1 . GLU 11 11 10033 1 . GLN 12 12 10033 1 . THR 13 13 10033 1 . LEU 14 14 10033 1 . LYS 15 15 10033 1 . LYS 16 16 10033 1 . ASP 17 17 10033 1 . TRP 18 18 10033 1 . TYR 19 19 10033 1 . SER 20 20 10033 1 . ILE 21 21 10033 1 . LEU 22 22 10033 1 . GLY 23 23 10033 1 . ALA 24 24 10033 1 . ASP 25 25 10033 1 . PRO 26 26 10033 1 . SER 27 27 10033 1 . ALA 28 28 10033 1 . ASN 29 29 10033 1 . MET 30 30 10033 1 . SER 31 31 10033 1 . ASP 32 32 10033 1 . LEU 33 33 10033 1 . LYS 34 34 10033 1 . GLN 35 35 10033 1 . LYS 36 36 10033 1 . TYR 37 37 10033 1 . GLN 38 38 10033 1 . LYS 39 39 10033 1 . LEU 40 40 10033 1 . ILE 41 41 10033 1 . LEU 42 42 10033 1 . LEU 43 43 10033 1 . TYR 44 44 10033 1 . HIS 45 45 10033 1 . PRO 46 46 10033 1 . ASP 47 47 10033 1 . LYS 48 48 10033 1 . GLN 49 49 10033 1 . SER 50 50 10033 1 . ALA 51 51 10033 1 . ASP 52 52 10033 1 . VAL 53 53 10033 1 . PRO 54 54 10033 1 . ALA 55 55 10033 1 . GLY 56 56 10033 1 . THR 57 57 10033 1 . MET 58 58 10033 1 . GLU 59 59 10033 1 . GLU 60 60 10033 1 . CYS 61 61 10033 1 . MET 62 62 10033 1 . GLN 63 63 10033 1 . LYS 64 64 10033 1 . PHE 65 65 10033 1 . ILE 66 66 10033 1 . GLU 67 67 10033 1 . ILE 68 68 10033 1 . ASP 69 69 10033 1 . GLN 70 70 10033 1 . ALA 71 71 10033 1 . TRP 72 72 10033 1 . LYS 73 73 10033 1 . ILE 74 74 10033 1 . LEU 75 75 10033 1 . GLY 76 76 10033 1 . ASN 77 77 10033 1 . GLU 78 78 10033 1 . GLU 79 79 10033 1 . THR 80 80 10033 1 . LYS 81 81 10033 1 . LYS 82 82 10033 1 . LYS 83 83 10033 1 . TYR 84 84 10033 1 . ASP 85 85 10033 1 . LEU 86 86 10033 1 . GLN 87 87 10033 1 . ARG 88 88 10033 1 . SER 89 89 10033 1 . GLY 90 90 10033 1 . PRO 91 91 10033 1 . SER 92 92 10033 1 . SER 93 93 10033 1 . GLY 94 94 10033 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 10033 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10033 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 10033 _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 . . P030324-95 . . . . . . 10033 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10033 _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 'J-domain of DnaJ like protein' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.07 . . mM . . . . 10033 1 2 Phosphate . . . . . . buffer 20 . . mM . . . . 10033 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10033 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10033 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10033 1 6 H2O . . . . . . solvent 90 . . % . . . . 10033 1 7 D2O . . . . . . solvent 10 . . % . . . . 10033 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 10033 _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 10033 1 pH 7.0 0.05 pH 10033 1 pressure 1 0.001 atm 10033 1 temperature 298 0.1 K 10033 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10033 _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 . . 10033 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10033 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10033 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10033 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10033 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10033 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10033 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10033 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10033 _Software.ID 4 _Software.Name Kujira _Software.Version 0.901 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10033 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10033 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10033 _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 'Guntert, P.' . . 10033 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10033 5 'structure solution' 10033 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 10033 _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 10033 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10033 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10033 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10033 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10033 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10033 _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 . . . . . . . . . 10033 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10033 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10033 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 10033 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10033 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10033 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.975 0.030 . 1 . . . . 7 GLY HA2 . 10033 1 2 . 1 1 7 7 GLY HA3 H 1 3.975 0.030 . 1 . . . . 7 GLY HA3 . 10033 1 3 . 1 1 7 7 GLY C C 13 174.246 0.300 . 1 . . . . 7 GLY C . 10033 1 4 . 1 1 7 7 GLY CA C 13 45.507 0.300 . 1 . . . . 7 GLY CA . 10033 1 5 . 1 1 8 8 MET H H 1 8.138 0.030 . 1 . . . . 8 MET H . 10033 1 6 . 1 1 8 8 MET HA H 1 4.448 0.030 . 1 . . . . 8 MET HA . 10033 1 7 . 1 1 8 8 MET HB2 H 1 1.997 0.030 . 2 . . . . 8 MET HB2 . 10033 1 8 . 1 1 8 8 MET HB3 H 1 2.082 0.030 . 2 . . . . 8 MET HB3 . 10033 1 9 . 1 1 8 8 MET HG2 H 1 2.521 0.030 . 2 . . . . 8 MET HG2 . 10033 1 10 . 1 1 8 8 MET HG3 H 1 2.598 0.030 . 2 . . . . 8 MET HG3 . 10033 1 11 . 1 1 8 8 MET HE1 H 1 2.094 0.030 . 1 . . . . 8 MET HE . 10033 1 12 . 1 1 8 8 MET HE2 H 1 2.094 0.030 . 1 . . . . 8 MET HE . 10033 1 13 . 1 1 8 8 MET HE3 H 1 2.094 0.030 . 1 . . . . 8 MET HE . 10033 1 14 . 1 1 8 8 MET C C 13 176.052 0.300 . 1 . . . . 8 MET C . 10033 1 15 . 1 1 8 8 MET CA C 13 55.646 0.300 . 1 . . . . 8 MET CA . 10033 1 16 . 1 1 8 8 MET CB C 13 33.096 0.300 . 1 . . . . 8 MET CB . 10033 1 17 . 1 1 8 8 MET CG C 13 31.949 0.300 . 1 . . . . 8 MET CG . 10033 1 18 . 1 1 8 8 MET CE C 13 17.038 0.300 . 1 . . . . 8 MET CE . 10033 1 19 . 1 1 8 8 MET N N 15 120.012 0.300 . 1 . . . . 8 MET N . 10033 1 20 . 1 1 9 9 ALA H H 1 8.331 0.030 . 1 . . . . 9 ALA H . 10033 1 21 . 1 1 9 9 ALA HA H 1 4.324 0.030 . 1 . . . . 9 ALA HA . 10033 1 22 . 1 1 9 9 ALA HB1 H 1 1.412 0.030 . 1 . . . . 9 ALA HB . 10033 1 23 . 1 1 9 9 ALA HB2 H 1 1.412 0.030 . 1 . . . . 9 ALA HB . 10033 1 24 . 1 1 9 9 ALA HB3 H 1 1.412 0.030 . 1 . . . . 9 ALA HB . 10033 1 25 . 1 1 9 9 ALA C C 13 177.999 0.300 . 1 . . . . 9 ALA C . 10033 1 26 . 1 1 9 9 ALA CA C 13 52.679 0.300 . 1 . . . . 9 ALA CA . 10033 1 27 . 1 1 9 9 ALA CB C 13 19.007 0.300 . 1 . . . . 9 ALA CB . 10033 1 28 . 1 1 9 9 ALA N N 15 125.249 0.300 . 1 . . . . 9 ALA N . 10033 1 29 . 1 1 10 10 LEU H H 1 8.237 0.030 . 1 . . . . 10 LEU H . 10033 1 30 . 1 1 10 10 LEU HA H 1 4.284 0.030 . 1 . . . . 10 LEU HA . 10033 1 31 . 1 1 10 10 LEU HB2 H 1 1.632 0.030 . 1 . . . . 10 LEU HB2 . 10033 1 32 . 1 1 10 10 LEU HB3 H 1 1.632 0.030 . 1 . . . . 10 LEU HB3 . 10033 1 33 . 1 1 10 10 LEU HG H 1 1.636 0.030 . 1 . . . . 10 LEU HG . 10033 1 34 . 1 1 10 10 LEU HD11 H 1 0.888 0.030 . 1 . . . . 10 LEU HD1 . 10033 1 35 . 1 1 10 10 LEU HD12 H 1 0.888 0.030 . 1 . . . . 10 LEU HD1 . 10033 1 36 . 1 1 10 10 LEU HD13 H 1 0.888 0.030 . 1 . . . . 10 LEU HD1 . 10033 1 37 . 1 1 10 10 LEU HD21 H 1 0.930 0.030 . 1 . . . . 10 LEU HD2 . 10033 1 38 . 1 1 10 10 LEU HD22 H 1 0.930 0.030 . 1 . . . . 10 LEU HD2 . 10033 1 39 . 1 1 10 10 LEU HD23 H 1 0.930 0.030 . 1 . . . . 10 LEU HD2 . 10033 1 40 . 1 1 10 10 LEU C C 13 177.975 0.300 . 1 . . . . 10 LEU C . 10033 1 41 . 1 1 10 10 LEU CA C 13 55.793 0.300 . 1 . . . . 10 LEU CA . 10033 1 42 . 1 1 10 10 LEU CB C 13 42.256 0.300 . 1 . . . . 10 LEU CB . 10033 1 43 . 1 1 10 10 LEU CG C 13 27.168 0.300 . 1 . . . . 10 LEU CG . 10033 1 44 . 1 1 10 10 LEU CD1 C 13 23.803 0.300 . 2 . . . . 10 LEU CD1 . 10033 1 45 . 1 1 10 10 LEU CD2 C 13 24.695 0.300 . 2 . . . . 10 LEU CD2 . 10033 1 46 . 1 1 10 10 LEU N N 15 121.687 0.300 . 1 . . . . 10 LEU N . 10033 1 47 . 1 1 11 11 GLU H H 1 8.507 0.030 . 1 . . . . 11 GLU H . 10033 1 48 . 1 1 11 11 GLU HA H 1 4.217 0.030 . 1 . . . . 11 GLU HA . 10033 1 49 . 1 1 11 11 GLU HB2 H 1 1.998 0.030 . 2 . . . . 11 GLU HB2 . 10033 1 50 . 1 1 11 11 GLU HB3 H 1 2.052 0.030 . 2 . . . . 11 GLU HB3 . 10033 1 51 . 1 1 11 11 GLU HG2 H 1 2.287 0.030 . 1 . . . . 11 GLU HG2 . 10033 1 52 . 1 1 11 11 GLU HG3 H 1 2.287 0.030 . 1 . . . . 11 GLU HG3 . 10033 1 53 . 1 1 11 11 GLU C C 13 177.060 0.300 . 1 . . . . 11 GLU C . 10033 1 54 . 1 1 11 11 GLU CA C 13 57.447 0.300 . 1 . . . . 11 GLU CA . 10033 1 55 . 1 1 11 11 GLU CB C 13 29.901 0.300 . 1 . . . . 11 GLU CB . 10033 1 56 . 1 1 11 11 GLU CG C 13 36.483 0.300 . 1 . . . . 11 GLU CG . 10033 1 57 . 1 1 11 11 GLU N N 15 120.909 0.300 . 1 . . . . 11 GLU N . 10033 1 58 . 1 1 12 12 GLN H H 1 8.306 0.030 . 1 . . . . 12 GLN H . 10033 1 59 . 1 1 12 12 GLN HA H 1 4.347 0.030 . 1 . . . . 12 GLN HA . 10033 1 60 . 1 1 12 12 GLN HB2 H 1 2.059 0.030 . 2 . . . . 12 GLN HB2 . 10033 1 61 . 1 1 12 12 GLN HB3 H 1 2.167 0.030 . 2 . . . . 12 GLN HB3 . 10033 1 62 . 1 1 12 12 GLN HG2 H 1 2.405 0.030 . 1 . . . . 12 GLN HG2 . 10033 1 63 . 1 1 12 12 GLN HG3 H 1 2.405 0.030 . 1 . . . . 12 GLN HG3 . 10033 1 64 . 1 1 12 12 GLN HE21 H 1 6.885 0.030 . 2 . . . . 12 GLN HE21 . 10033 1 65 . 1 1 12 12 GLN HE22 H 1 7.570 0.030 . 2 . . . . 12 GLN HE22 . 10033 1 66 . 1 1 12 12 GLN C C 13 176.648 0.300 . 1 . . . . 12 GLN C . 10033 1 67 . 1 1 12 12 GLN CA C 13 56.477 0.300 . 1 . . . . 12 GLN CA . 10033 1 68 . 1 1 12 12 GLN CB C 13 29.325 0.300 . 1 . . . . 12 GLN CB . 10033 1 69 . 1 1 12 12 GLN CG C 13 33.924 0.300 . 1 . . . . 12 GLN CG . 10033 1 70 . 1 1 12 12 GLN N N 15 120.185 0.300 . 1 . . . . 12 GLN N . 10033 1 71 . 1 1 12 12 GLN NE2 N 15 112.495 0.300 . 1 . . . . 12 GLN NE2 . 10033 1 72 . 1 1 13 13 THR H H 1 8.115 0.030 . 1 . . . . 13 THR H . 10033 1 73 . 1 1 13 13 THR HA H 1 4.296 0.030 . 1 . . . . 13 THR HA . 10033 1 74 . 1 1 13 13 THR HB H 1 4.255 0.030 . 1 . . . . 13 THR HB . 10033 1 75 . 1 1 13 13 THR HG21 H 1 1.251 0.030 . 1 . . . . 13 THR HG2 . 10033 1 76 . 1 1 13 13 THR HG22 H 1 1.251 0.030 . 1 . . . . 13 THR HG2 . 10033 1 77 . 1 1 13 13 THR HG23 H 1 1.251 0.030 . 1 . . . . 13 THR HG2 . 10033 1 78 . 1 1 13 13 THR C C 13 174.723 0.300 . 1 . . . . 13 THR C . 10033 1 79 . 1 1 13 13 THR CA C 13 62.835 0.300 . 1 . . . . 13 THR CA . 10033 1 80 . 1 1 13 13 THR CB C 13 69.688 0.300 . 1 . . . . 13 THR CB . 10033 1 81 . 1 1 13 13 THR CG2 C 13 21.892 0.300 . 1 . . . . 13 THR CG2 . 10033 1 82 . 1 1 13 13 THR N N 15 114.775 0.300 . 1 . . . . 13 THR N . 10033 1 83 . 1 1 14 14 LEU H H 1 8.124 0.030 . 1 . . . . 14 LEU H . 10033 1 84 . 1 1 14 14 LEU HA H 1 4.421 0.030 . 1 . . . . 14 LEU HA . 10033 1 85 . 1 1 14 14 LEU HB2 H 1 1.617 0.030 . 2 . . . . 14 LEU HB2 . 10033 1 86 . 1 1 14 14 LEU HB3 H 1 1.713 0.030 . 2 . . . . 14 LEU HB3 . 10033 1 87 . 1 1 14 14 LEU HG H 1 1.678 0.030 . 1 . . . . 14 LEU HG . 10033 1 88 . 1 1 14 14 LEU HD11 H 1 0.926 0.030 . 1 . . . . 14 LEU HD1 . 10033 1 89 . 1 1 14 14 LEU HD12 H 1 0.926 0.030 . 1 . . . . 14 LEU HD1 . 10033 1 90 . 1 1 14 14 LEU HD13 H 1 0.926 0.030 . 1 . . . . 14 LEU HD1 . 10033 1 91 . 1 1 14 14 LEU HD21 H 1 0.892 0.030 . 1 . . . . 14 LEU HD2 . 10033 1 92 . 1 1 14 14 LEU HD22 H 1 0.892 0.030 . 1 . . . . 14 LEU HD2 . 10033 1 93 . 1 1 14 14 LEU HD23 H 1 0.892 0.030 . 1 . . . . 14 LEU HD2 . 10033 1 94 . 1 1 14 14 LEU C C 13 177.085 0.300 . 1 . . . . 14 LEU C . 10033 1 95 . 1 1 14 14 LEU CA C 13 55.294 0.300 . 1 . . . . 14 LEU CA . 10033 1 96 . 1 1 14 14 LEU CB C 13 42.300 0.300 . 1 . . . . 14 LEU CB . 10033 1 97 . 1 1 14 14 LEU CG C 13 26.852 0.300 . 1 . . . . 14 LEU CG . 10033 1 98 . 1 1 14 14 LEU CD1 C 13 24.976 0.300 . 2 . . . . 14 LEU CD1 . 10033 1 99 . 1 1 14 14 LEU CD2 C 13 23.541 0.300 . 2 . . . . 14 LEU CD2 . 10033 1 100 . 1 1 14 14 LEU N N 15 123.269 0.300 . 1 . . . . 14 LEU N . 10033 1 101 . 1 1 15 15 LYS H H 1 8.146 0.030 . 1 . . . . 15 LYS H . 10033 1 102 . 1 1 15 15 LYS HA H 1 4.287 0.030 . 1 . . . . 15 LYS HA . 10033 1 103 . 1 1 15 15 LYS HB2 H 1 1.733 0.030 . 2 . . . . 15 LYS HB2 . 10033 1 104 . 1 1 15 15 LYS HB3 H 1 1.822 0.030 . 2 . . . . 15 LYS HB3 . 10033 1 105 . 1 1 15 15 LYS HG2 H 1 1.382 0.030 . 2 . . . . 15 LYS HG2 . 10033 1 106 . 1 1 15 15 LYS HG3 H 1 1.467 0.030 . 2 . . . . 15 LYS HG3 . 10033 1 107 . 1 1 15 15 LYS HD2 H 1 1.684 0.030 . 1 . . . . 15 LYS HD2 . 10033 1 108 . 1 1 15 15 LYS HD3 H 1 1.684 0.030 . 1 . . . . 15 LYS HD3 . 10033 1 109 . 1 1 15 15 LYS HE2 H 1 3.001 0.030 . 1 . . . . 15 LYS HE2 . 10033 1 110 . 1 1 15 15 LYS HE3 H 1 3.001 0.030 . 1 . . . . 15 LYS HE3 . 10033 1 111 . 1 1 15 15 LYS C C 13 176.053 0.300 . 1 . . . . 15 LYS C . 10033 1 112 . 1 1 15 15 LYS CA C 13 56.288 0.300 . 1 . . . . 15 LYS CA . 10033 1 113 . 1 1 15 15 LYS CB C 13 32.666 0.300 . 1 . . . . 15 LYS CB . 10033 1 114 . 1 1 15 15 LYS CG C 13 24.860 0.300 . 1 . . . . 15 LYS CG . 10033 1 115 . 1 1 15 15 LYS CD C 13 29.146 0.300 . 1 . . . . 15 LYS CD . 10033 1 116 . 1 1 15 15 LYS CE C 13 42.253 0.300 . 1 . . . . 15 LYS CE . 10033 1 117 . 1 1 15 15 LYS N N 15 121.751 0.300 . 1 . . . . 15 LYS N . 10033 1 118 . 1 1 16 16 LYS H H 1 7.442 0.030 . 1 . . . . 16 LYS H . 10033 1 119 . 1 1 16 16 LYS HA H 1 4.017 0.030 . 1 . . . . 16 LYS HA . 10033 1 120 . 1 1 16 16 LYS HB2 H 1 0.599 0.030 . 2 . . . . 16 LYS HB2 . 10033 1 121 . 1 1 16 16 LYS HB3 H 1 0.792 0.030 . 2 . . . . 16 LYS HB3 . 10033 1 122 . 1 1 16 16 LYS HG2 H 1 0.925 0.030 . 2 . . . . 16 LYS HG2 . 10033 1 123 . 1 1 16 16 LYS HG3 H 1 1.064 0.030 . 2 . . . . 16 LYS HG3 . 10033 1 124 . 1 1 16 16 LYS HD2 H 1 1.414 0.030 . 1 . . . . 16 LYS HD2 . 10033 1 125 . 1 1 16 16 LYS HD3 H 1 1.414 0.030 . 1 . . . . 16 LYS HD3 . 10033 1 126 . 1 1 16 16 LYS HE2 H 1 2.789 0.030 . 1 . . . . 16 LYS HE2 . 10033 1 127 . 1 1 16 16 LYS HE3 H 1 2.789 0.030 . 1 . . . . 16 LYS HE3 . 10033 1 128 . 1 1 16 16 LYS C C 13 174.850 0.300 . 1 . . . . 16 LYS C . 10033 1 129 . 1 1 16 16 LYS CA C 13 55.036 0.300 . 1 . . . . 16 LYS CA . 10033 1 130 . 1 1 16 16 LYS CB C 13 33.418 0.300 . 1 . . . . 16 LYS CB . 10033 1 131 . 1 1 16 16 LYS CG C 13 24.935 0.300 . 1 . . . . 16 LYS CG . 10033 1 132 . 1 1 16 16 LYS CD C 13 28.931 0.300 . 1 . . . . 16 LYS CD . 10033 1 133 . 1 1 16 16 LYS CE C 13 42.153 0.300 . 1 . . . . 16 LYS CE . 10033 1 134 . 1 1 16 16 LYS N N 15 121.187 0.300 . 1 . . . . 16 LYS N . 10033 1 135 . 1 1 17 17 ASP H H 1 8.284 0.030 . 1 . . . . 17 ASP H . 10033 1 136 . 1 1 17 17 ASP HA H 1 4.614 0.030 . 1 . . . . 17 ASP HA . 10033 1 137 . 1 1 17 17 ASP HB2 H 1 2.655 0.030 . 2 . . . . 17 ASP HB2 . 10033 1 138 . 1 1 17 17 ASP HB3 H 1 2.937 0.030 . 2 . . . . 17 ASP HB3 . 10033 1 139 . 1 1 17 17 ASP C C 13 176.687 0.300 . 1 . . . . 17 ASP C . 10033 1 140 . 1 1 17 17 ASP CA C 13 52.047 0.300 . 1 . . . . 17 ASP CA . 10033 1 141 . 1 1 17 17 ASP CB C 13 40.649 0.300 . 1 . . . . 17 ASP CB . 10033 1 142 . 1 1 18 18 TRP H H 1 7.022 0.030 . 1 . . . . 18 TRP H . 10033 1 143 . 1 1 18 18 TRP HA H 1 4.513 0.030 . 1 . . . . 18 TRP HA . 10033 1 144 . 1 1 18 18 TRP HB2 H 1 2.270 0.030 . 2 . . . . 18 TRP HB2 . 10033 1 145 . 1 1 18 18 TRP HB3 H 1 3.128 0.030 . 2 . . . . 18 TRP HB3 . 10033 1 146 . 1 1 18 18 TRP HD1 H 1 5.470 0.030 . 1 . . . . 18 TRP HD1 . 10033 1 147 . 1 1 18 18 TRP HE1 H 1 10.198 0.030 . 1 . . . . 18 TRP HE1 . 10033 1 148 . 1 1 18 18 TRP HE3 H 1 7.305 0.030 . 1 . . . . 18 TRP HE3 . 10033 1 149 . 1 1 18 18 TRP HZ2 H 1 7.375 0.030 . 1 . . . . 18 TRP HZ2 . 10033 1 150 . 1 1 18 18 TRP HZ3 H 1 7.004 0.030 . 1 . . . . 18 TRP HZ3 . 10033 1 151 . 1 1 18 18 TRP HH2 H 1 7.102 0.030 . 1 . . . . 18 TRP HH2 . 10033 1 152 . 1 1 18 18 TRP C C 13 177.643 0.300 . 1 . . . . 18 TRP C . 10033 1 153 . 1 1 18 18 TRP CA C 13 58.598 0.300 . 1 . . . . 18 TRP CA . 10033 1 154 . 1 1 18 18 TRP CB C 13 31.190 0.300 . 1 . . . . 18 TRP CB . 10033 1 155 . 1 1 18 18 TRP CD1 C 13 127.745 0.300 . 1 . . . . 18 TRP CD1 . 10033 1 156 . 1 1 18 18 TRP CE3 C 13 120.210 0.300 . 1 . . . . 18 TRP CE3 . 10033 1 157 . 1 1 18 18 TRP CZ2 C 13 114.568 0.300 . 1 . . . . 18 TRP CZ2 . 10033 1 158 . 1 1 18 18 TRP CZ3 C 13 121.657 0.300 . 1 . . . . 18 TRP CZ3 . 10033 1 159 . 1 1 18 18 TRP CH2 C 13 124.798 0.300 . 1 . . . . 18 TRP CH2 . 10033 1 160 . 1 1 18 18 TRP N N 15 122.467 0.300 . 1 . . . . 18 TRP N . 10033 1 161 . 1 1 18 18 TRP NE1 N 15 129.974 0.300 . 1 . . . . 18 TRP NE1 . 10033 1 162 . 1 1 19 19 TYR H H 1 7.652 0.030 . 1 . . . . 19 TYR H . 10033 1 163 . 1 1 19 19 TYR HA H 1 3.898 0.030 . 1 . . . . 19 TYR HA . 10033 1 164 . 1 1 19 19 TYR HB2 H 1 3.009 0.030 . 2 . . . . 19 TYR HB2 . 10033 1 165 . 1 1 19 19 TYR HB3 H 1 3.120 0.030 . 2 . . . . 19 TYR HB3 . 10033 1 166 . 1 1 19 19 TYR HD1 H 1 7.161 0.030 . 1 . . . . 19 TYR HD1 . 10033 1 167 . 1 1 19 19 TYR HD2 H 1 7.161 0.030 . 1 . . . . 19 TYR HD2 . 10033 1 168 . 1 1 19 19 TYR HE1 H 1 6.983 0.030 . 1 . . . . 19 TYR HE1 . 10033 1 169 . 1 1 19 19 TYR HE2 H 1 6.983 0.030 . 1 . . . . 19 TYR HE2 . 10033 1 170 . 1 1 19 19 TYR C C 13 178.840 0.300 . 1 . . . . 19 TYR C . 10033 1 171 . 1 1 19 19 TYR CA C 13 63.489 0.300 . 1 . . . . 19 TYR CA . 10033 1 172 . 1 1 19 19 TYR CB C 13 36.769 0.300 . 1 . . . . 19 TYR CB . 10033 1 173 . 1 1 19 19 TYR CD1 C 13 132.948 0.300 . 1 . . . . 19 TYR CD1 . 10033 1 174 . 1 1 19 19 TYR CD2 C 13 132.948 0.300 . 1 . . . . 19 TYR CD2 . 10033 1 175 . 1 1 19 19 TYR CE1 C 13 118.638 0.300 . 1 . . . . 19 TYR CE1 . 10033 1 176 . 1 1 19 19 TYR CE2 C 13 118.638 0.300 . 1 . . . . 19 TYR CE2 . 10033 1 177 . 1 1 19 19 TYR N N 15 113.422 0.300 . 1 . . . . 19 TYR N . 10033 1 178 . 1 1 20 20 SER H H 1 7.926 0.030 . 1 . . . . 20 SER H . 10033 1 179 . 1 1 20 20 SER HA H 1 4.323 0.030 . 1 . . . . 20 SER HA . 10033 1 180 . 1 1 20 20 SER HB2 H 1 3.975 0.030 . 1 . . . . 20 SER HB2 . 10033 1 181 . 1 1 20 20 SER HB3 H 1 3.975 0.030 . 1 . . . . 20 SER HB3 . 10033 1 182 . 1 1 20 20 SER C C 13 178.739 0.300 . 1 . . . . 20 SER C . 10033 1 183 . 1 1 20 20 SER CA C 13 61.509 0.300 . 1 . . . . 20 SER CA . 10033 1 184 . 1 1 20 20 SER CB C 13 62.589 0.300 . 1 . . . . 20 SER CB . 10033 1 185 . 1 1 20 20 SER N N 15 115.713 0.300 . 1 . . . . 20 SER N . 10033 1 186 . 1 1 21 21 ILE H H 1 7.781 0.030 . 1 . . . . 21 ILE H . 10033 1 187 . 1 1 21 21 ILE HA H 1 3.799 0.030 . 1 . . . . 21 ILE HA . 10033 1 188 . 1 1 21 21 ILE HB H 1 2.105 0.030 . 1 . . . . 21 ILE HB . 10033 1 189 . 1 1 21 21 ILE HG12 H 1 1.305 0.030 . 2 . . . . 21 ILE HG12 . 10033 1 190 . 1 1 21 21 ILE HG13 H 1 1.643 0.030 . 2 . . . . 21 ILE HG13 . 10033 1 191 . 1 1 21 21 ILE HG21 H 1 0.997 0.030 . 1 . . . . 21 ILE HG2 . 10033 1 192 . 1 1 21 21 ILE HG22 H 1 0.997 0.030 . 1 . . . . 21 ILE HG2 . 10033 1 193 . 1 1 21 21 ILE HG23 H 1 0.997 0.030 . 1 . . . . 21 ILE HG2 . 10033 1 194 . 1 1 21 21 ILE HD11 H 1 0.802 0.030 . 1 . . . . 21 ILE HD1 . 10033 1 195 . 1 1 21 21 ILE HD12 H 1 0.802 0.030 . 1 . . . . 21 ILE HD1 . 10033 1 196 . 1 1 21 21 ILE HD13 H 1 0.802 0.030 . 1 . . . . 21 ILE HD1 . 10033 1 197 . 1 1 21 21 ILE C C 13 177.033 0.300 . 1 . . . . 21 ILE C . 10033 1 198 . 1 1 21 21 ILE CA C 13 64.294 0.300 . 1 . . . . 21 ILE CA . 10033 1 199 . 1 1 21 21 ILE CB C 13 37.664 0.300 . 1 . . . . 21 ILE CB . 10033 1 200 . 1 1 21 21 ILE CG1 C 13 29.978 0.300 . 1 . . . . 21 ILE CG1 . 10033 1 201 . 1 1 21 21 ILE CG2 C 13 18.632 0.300 . 1 . . . . 21 ILE CG2 . 10033 1 202 . 1 1 21 21 ILE CD1 C 13 13.641 0.300 . 1 . . . . 21 ILE CD1 . 10033 1 203 . 1 1 21 21 ILE N N 15 123.717 0.300 . 1 . . . . 21 ILE N . 10033 1 204 . 1 1 22 22 LEU H H 1 7.057 0.030 . 1 . . . . 22 LEU H . 10033 1 205 . 1 1 22 22 LEU HA H 1 4.431 0.030 . 1 . . . . 22 LEU HA . 10033 1 206 . 1 1 22 22 LEU HB2 H 1 1.741 0.030 . 2 . . . . 22 LEU HB2 . 10033 1 207 . 1 1 22 22 LEU HB3 H 1 1.785 0.030 . 2 . . . . 22 LEU HB3 . 10033 1 208 . 1 1 22 22 LEU HG H 1 1.972 0.030 . 1 . . . . 22 LEU HG . 10033 1 209 . 1 1 22 22 LEU HD11 H 1 1.014 0.030 . 1 . . . . 22 LEU HD1 . 10033 1 210 . 1 1 22 22 LEU HD12 H 1 1.014 0.030 . 1 . . . . 22 LEU HD1 . 10033 1 211 . 1 1 22 22 LEU HD13 H 1 1.014 0.030 . 1 . . . . 22 LEU HD1 . 10033 1 212 . 1 1 22 22 LEU HD21 H 1 1.088 0.030 . 1 . . . . 22 LEU HD2 . 10033 1 213 . 1 1 22 22 LEU HD22 H 1 1.088 0.030 . 1 . . . . 22 LEU HD2 . 10033 1 214 . 1 1 22 22 LEU HD23 H 1 1.088 0.030 . 1 . . . . 22 LEU HD2 . 10033 1 215 . 1 1 22 22 LEU C C 13 176.134 0.300 . 1 . . . . 22 LEU C . 10033 1 216 . 1 1 22 22 LEU CA C 13 54.378 0.300 . 1 . . . . 22 LEU CA . 10033 1 217 . 1 1 22 22 LEU CB C 13 41.956 0.300 . 1 . . . . 22 LEU CB . 10033 1 218 . 1 1 22 22 LEU CG C 13 26.768 0.300 . 1 . . . . 22 LEU CG . 10033 1 219 . 1 1 22 22 LEU CD1 C 13 26.838 0.300 . 2 . . . . 22 LEU CD1 . 10033 1 220 . 1 1 22 22 LEU CD2 C 13 24.118 0.300 . 2 . . . . 22 LEU CD2 . 10033 1 221 . 1 1 22 22 LEU N N 15 115.594 0.300 . 1 . . . . 22 LEU N . 10033 1 222 . 1 1 23 23 GLY H H 1 7.990 0.030 . 1 . . . . 23 GLY H . 10033 1 223 . 1 1 23 23 GLY HA2 H 1 3.923 0.030 . 1 . . . . 23 GLY HA2 . 10033 1 224 . 1 1 23 23 GLY HA3 H 1 3.923 0.030 . 1 . . . . 23 GLY HA3 . 10033 1 225 . 1 1 23 23 GLY C C 13 174.360 0.300 . 1 . . . . 23 GLY C . 10033 1 226 . 1 1 23 23 GLY CA C 13 46.490 0.300 . 1 . . . . 23 GLY CA . 10033 1 227 . 1 1 23 23 GLY N N 15 108.333 0.300 . 1 . . . . 23 GLY N . 10033 1 228 . 1 1 24 24 ALA H H 1 8.304 0.030 . 1 . . . . 24 ALA H . 10033 1 229 . 1 1 24 24 ALA HA H 1 4.811 0.030 . 1 . . . . 24 ALA HA . 10033 1 230 . 1 1 24 24 ALA HB1 H 1 1.401 0.030 . 1 . . . . 24 ALA HB . 10033 1 231 . 1 1 24 24 ALA HB2 H 1 1.401 0.030 . 1 . . . . 24 ALA HB . 10033 1 232 . 1 1 24 24 ALA HB3 H 1 1.401 0.030 . 1 . . . . 24 ALA HB . 10033 1 233 . 1 1 24 24 ALA C C 13 174.969 0.300 . 1 . . . . 24 ALA C . 10033 1 234 . 1 1 24 24 ALA CA C 13 49.647 0.300 . 1 . . . . 24 ALA CA . 10033 1 235 . 1 1 24 24 ALA CB C 13 23.141 0.300 . 1 . . . . 24 ALA CB . 10033 1 236 . 1 1 24 24 ALA N N 15 121.683 0.300 . 1 . . . . 24 ALA N . 10033 1 237 . 1 1 25 25 ASP H H 1 8.320 0.030 . 1 . . . . 25 ASP H . 10033 1 238 . 1 1 25 25 ASP HA H 1 4.809 0.030 . 1 . . . . 25 ASP HA . 10033 1 239 . 1 1 25 25 ASP HB2 H 1 2.536 0.030 . 2 . . . . 25 ASP HB2 . 10033 1 240 . 1 1 25 25 ASP HB3 H 1 2.659 0.030 . 2 . . . . 25 ASP HB3 . 10033 1 241 . 1 1 25 25 ASP C C 13 174.366 0.300 . 1 . . . . 25 ASP C . 10033 1 242 . 1 1 25 25 ASP CA C 13 52.207 0.300 . 1 . . . . 25 ASP CA . 10033 1 243 . 1 1 25 25 ASP CB C 13 42.742 0.300 . 1 . . . . 25 ASP CB . 10033 1 244 . 1 1 25 25 ASP N N 15 121.434 0.300 . 1 . . . . 25 ASP N . 10033 1 245 . 1 1 26 26 PRO HA H 1 2.952 0.030 . 1 . . . . 26 PRO HA . 10033 1 246 . 1 1 26 26 PRO HB2 H 1 1.610 0.030 . 2 . . . . 26 PRO HB2 . 10033 1 247 . 1 1 26 26 PRO HB3 H 1 1.775 0.030 . 2 . . . . 26 PRO HB3 . 10033 1 248 . 1 1 26 26 PRO HG2 H 1 1.586 0.030 . 2 . . . . 26 PRO HG2 . 10033 1 249 . 1 1 26 26 PRO HG3 H 1 1.892 0.030 . 2 . . . . 26 PRO HG3 . 10033 1 250 . 1 1 26 26 PRO HD2 H 1 3.500 0.030 . 2 . . . . 26 PRO HD2 . 10033 1 251 . 1 1 26 26 PRO HD3 H 1 3.667 0.030 . 2 . . . . 26 PRO HD3 . 10033 1 252 . 1 1 26 26 PRO C C 13 176.715 0.300 . 1 . . . . 26 PRO C . 10033 1 253 . 1 1 26 26 PRO CA C 13 63.827 0.300 . 1 . . . . 26 PRO CA . 10033 1 254 . 1 1 26 26 PRO CB C 13 31.518 0.300 . 1 . . . . 26 PRO CB . 10033 1 255 . 1 1 26 26 PRO CG C 13 27.663 0.300 . 1 . . . . 26 PRO CG . 10033 1 256 . 1 1 26 26 PRO CD C 13 50.714 0.300 . 1 . . . . 26 PRO CD . 10033 1 257 . 1 1 27 27 SER H H 1 8.243 0.030 . 1 . . . . 27 SER H . 10033 1 258 . 1 1 27 27 SER HA H 1 4.371 0.030 . 1 . . . . 27 SER HA . 10033 1 259 . 1 1 27 27 SER HB2 H 1 3.821 0.030 . 2 . . . . 27 SER HB2 . 10033 1 260 . 1 1 27 27 SER HB3 H 1 3.997 0.030 . 2 . . . . 27 SER HB3 . 10033 1 261 . 1 1 27 27 SER C C 13 174.657 0.300 . 1 . . . . 27 SER C . 10033 1 262 . 1 1 27 27 SER CA C 13 58.479 0.300 . 1 . . . . 27 SER CA . 10033 1 263 . 1 1 27 27 SER CB C 13 63.742 0.300 . 1 . . . . 27 SER CB . 10033 1 264 . 1 1 27 27 SER N N 15 113.273 0.300 . 1 . . . . 27 SER N . 10033 1 265 . 1 1 28 28 ALA H H 1 7.982 0.030 . 1 . . . . 28 ALA H . 10033 1 266 . 1 1 28 28 ALA HA H 1 4.316 0.030 . 1 . . . . 28 ALA HA . 10033 1 267 . 1 1 28 28 ALA HB1 H 1 1.667 0.030 . 1 . . . . 28 ALA HB . 10033 1 268 . 1 1 28 28 ALA HB2 H 1 1.667 0.030 . 1 . . . . 28 ALA HB . 10033 1 269 . 1 1 28 28 ALA HB3 H 1 1.667 0.030 . 1 . . . . 28 ALA HB . 10033 1 270 . 1 1 28 28 ALA C C 13 177.523 0.300 . 1 . . . . 28 ALA C . 10033 1 271 . 1 1 28 28 ALA CA C 13 53.027 0.300 . 1 . . . . 28 ALA CA . 10033 1 272 . 1 1 28 28 ALA CB C 13 19.967 0.300 . 1 . . . . 28 ALA CB . 10033 1 273 . 1 1 28 28 ALA N N 15 126.065 0.300 . 1 . . . . 28 ALA N . 10033 1 274 . 1 1 29 29 ASN H H 1 8.711 0.030 . 1 . . . . 29 ASN H . 10033 1 275 . 1 1 29 29 ASN HA H 1 4.877 0.030 . 1 . . . . 29 ASN HA . 10033 1 276 . 1 1 29 29 ASN HB2 H 1 2.996 0.030 . 2 . . . . 29 ASN HB2 . 10033 1 277 . 1 1 29 29 ASN HB3 H 1 3.260 0.030 . 2 . . . . 29 ASN HB3 . 10033 1 278 . 1 1 29 29 ASN HD21 H 1 6.926 0.030 . 2 . . . . 29 ASN HD21 . 10033 1 279 . 1 1 29 29 ASN HD22 H 1 7.666 0.030 . 2 . . . . 29 ASN HD22 . 10033 1 280 . 1 1 29 29 ASN C C 13 176.035 0.300 . 1 . . . . 29 ASN C . 10033 1 281 . 1 1 29 29 ASN CA C 13 51.784 0.300 . 1 . . . . 29 ASN CA . 10033 1 282 . 1 1 29 29 ASN CB C 13 39.161 0.300 . 1 . . . . 29 ASN CB . 10033 1 283 . 1 1 29 29 ASN N N 15 118.787 0.300 . 1 . . . . 29 ASN N . 10033 1 284 . 1 1 29 29 ASN ND2 N 15 113.156 0.300 . 1 . . . . 29 ASN ND2 . 10033 1 285 . 1 1 30 30 MET H H 1 8.768 0.030 . 1 . . . . 30 MET H . 10033 1 286 . 1 1 30 30 MET HA H 1 4.444 0.030 . 1 . . . . 30 MET HA . 10033 1 287 . 1 1 30 30 MET HB2 H 1 2.236 0.030 . 1 . . . . 30 MET HB2 . 10033 1 288 . 1 1 30 30 MET HB3 H 1 2.236 0.030 . 1 . . . . 30 MET HB3 . 10033 1 289 . 1 1 30 30 MET HG2 H 1 2.798 0.030 . 1 . . . . 30 MET HG2 . 10033 1 290 . 1 1 30 30 MET HG3 H 1 2.798 0.030 . 1 . . . . 30 MET HG3 . 10033 1 291 . 1 1 30 30 MET HE1 H 1 2.053 0.030 . 1 . . . . 30 MET HE . 10033 1 292 . 1 1 30 30 MET HE2 H 1 2.053 0.030 . 1 . . . . 30 MET HE . 10033 1 293 . 1 1 30 30 MET HE3 H 1 2.053 0.030 . 1 . . . . 30 MET HE . 10033 1 294 . 1 1 30 30 MET C C 13 178.755 0.300 . 1 . . . . 30 MET C . 10033 1 295 . 1 1 30 30 MET CA C 13 58.282 0.300 . 1 . . . . 30 MET CA . 10033 1 296 . 1 1 30 30 MET CB C 13 31.277 0.300 . 1 . . . . 30 MET CB . 10033 1 297 . 1 1 30 30 MET CG C 13 31.784 0.300 . 1 . . . . 30 MET CG . 10033 1 298 . 1 1 30 30 MET CE C 13 16.110 0.300 . 1 . . . . 30 MET CE . 10033 1 299 . 1 1 30 30 MET N N 15 118.116 0.300 . 1 . . . . 30 MET N . 10033 1 300 . 1 1 31 31 SER H H 1 8.473 0.030 . 1 . . . . 31 SER H . 10033 1 301 . 1 1 31 31 SER HA H 1 4.291 0.030 . 1 . . . . 31 SER HA . 10033 1 302 . 1 1 31 31 SER HB2 H 1 3.984 0.030 . 1 . . . . 31 SER HB2 . 10033 1 303 . 1 1 31 31 SER HB3 H 1 3.984 0.030 . 1 . . . . 31 SER HB3 . 10033 1 304 . 1 1 31 31 SER C C 13 177.174 0.300 . 1 . . . . 31 SER C . 10033 1 305 . 1 1 31 31 SER CA C 13 61.758 0.300 . 1 . . . . 31 SER CA . 10033 1 306 . 1 1 31 31 SER CB C 13 62.304 0.300 . 1 . . . . 31 SER CB . 10033 1 307 . 1 1 31 31 SER N N 15 115.176 0.300 . 1 . . . . 31 SER N . 10033 1 308 . 1 1 32 32 ASP H H 1 8.178 0.030 . 1 . . . . 32 ASP H . 10033 1 309 . 1 1 32 32 ASP HA H 1 4.525 0.030 . 1 . . . . 32 ASP HA . 10033 1 310 . 1 1 32 32 ASP HB2 H 1 2.772 0.030 . 2 . . . . 32 ASP HB2 . 10033 1 311 . 1 1 32 32 ASP HB3 H 1 2.939 0.030 . 2 . . . . 32 ASP HB3 . 10033 1 312 . 1 1 32 32 ASP C C 13 179.042 0.300 . 1 . . . . 32 ASP C . 10033 1 313 . 1 1 32 32 ASP CA C 13 57.280 0.300 . 1 . . . . 32 ASP CA . 10033 1 314 . 1 1 32 32 ASP CB C 13 41.330 0.300 . 1 . . . . 32 ASP CB . 10033 1 315 . 1 1 32 32 ASP N N 15 123.444 0.300 . 1 . . . . 32 ASP N . 10033 1 316 . 1 1 33 33 LEU H H 1 8.303 0.030 . 1 . . . . 33 LEU H . 10033 1 317 . 1 1 33 33 LEU HA H 1 3.958 0.030 . 1 . . . . 33 LEU HA . 10033 1 318 . 1 1 33 33 LEU HB2 H 1 1.556 0.030 . 2 . . . . 33 LEU HB2 . 10033 1 319 . 1 1 33 33 LEU HB3 H 1 2.324 0.030 . 2 . . . . 33 LEU HB3 . 10033 1 320 . 1 1 33 33 LEU HG H 1 1.972 0.030 . 1 . . . . 33 LEU HG . 10033 1 321 . 1 1 33 33 LEU HD11 H 1 1.044 0.030 . 1 . . . . 33 LEU HD1 . 10033 1 322 . 1 1 33 33 LEU HD12 H 1 1.044 0.030 . 1 . . . . 33 LEU HD1 . 10033 1 323 . 1 1 33 33 LEU HD13 H 1 1.044 0.030 . 1 . . . . 33 LEU HD1 . 10033 1 324 . 1 1 33 33 LEU HD21 H 1 0.924 0.030 . 1 . . . . 33 LEU HD2 . 10033 1 325 . 1 1 33 33 LEU HD22 H 1 0.924 0.030 . 1 . . . . 33 LEU HD2 . 10033 1 326 . 1 1 33 33 LEU HD23 H 1 0.924 0.030 . 1 . . . . 33 LEU HD2 . 10033 1 327 . 1 1 33 33 LEU C C 13 177.850 0.300 . 1 . . . . 33 LEU C . 10033 1 328 . 1 1 33 33 LEU CA C 13 58.440 0.300 . 1 . . . . 33 LEU CA . 10033 1 329 . 1 1 33 33 LEU CB C 13 42.451 0.300 . 1 . . . . 33 LEU CB . 10033 1 330 . 1 1 33 33 LEU CG C 13 26.536 0.300 . 1 . . . . 33 LEU CG . 10033 1 331 . 1 1 33 33 LEU CD1 C 13 26.409 0.300 . 2 . . . . 33 LEU CD1 . 10033 1 332 . 1 1 33 33 LEU CD2 C 13 24.253 0.300 . 2 . . . . 33 LEU CD2 . 10033 1 333 . 1 1 33 33 LEU N N 15 119.337 0.300 . 1 . . . . 33 LEU N . 10033 1 334 . 1 1 34 34 LYS H H 1 8.460 0.030 . 1 . . . . 34 LYS H . 10033 1 335 . 1 1 34 34 LYS HA H 1 3.337 0.030 . 1 . . . . 34 LYS HA . 10033 1 336 . 1 1 34 34 LYS HB2 H 1 2.018 0.030 . 2 . . . . 34 LYS HB2 . 10033 1 337 . 1 1 34 34 LYS HB3 H 1 2.100 0.030 . 2 . . . . 34 LYS HB3 . 10033 1 338 . 1 1 34 34 LYS HG2 H 1 1.313 0.030 . 2 . . . . 34 LYS HG2 . 10033 1 339 . 1 1 34 34 LYS HG3 H 1 1.397 0.030 . 2 . . . . 34 LYS HG3 . 10033 1 340 . 1 1 34 34 LYS HD2 H 1 1.817 0.030 . 1 . . . . 34 LYS HD2 . 10033 1 341 . 1 1 34 34 LYS HD3 H 1 1.817 0.030 . 1 . . . . 34 LYS HD3 . 10033 1 342 . 1 1 34 34 LYS HE2 H 1 3.057 0.030 . 1 . . . . 34 LYS HE2 . 10033 1 343 . 1 1 34 34 LYS HE3 H 1 3.057 0.030 . 1 . . . . 34 LYS HE3 . 10033 1 344 . 1 1 34 34 LYS C C 13 178.439 0.300 . 1 . . . . 34 LYS C . 10033 1 345 . 1 1 34 34 LYS CA C 13 59.792 0.300 . 1 . . . . 34 LYS CA . 10033 1 346 . 1 1 34 34 LYS CB C 13 32.590 0.300 . 1 . . . . 34 LYS CB . 10033 1 347 . 1 1 34 34 LYS CG C 13 25.269 0.300 . 1 . . . . 34 LYS CG . 10033 1 348 . 1 1 34 34 LYS CD C 13 29.806 0.300 . 1 . . . . 34 LYS CD . 10033 1 349 . 1 1 34 34 LYS CE C 13 42.335 0.300 . 1 . . . . 34 LYS CE . 10033 1 350 . 1 1 34 34 LYS N N 15 118.859 0.300 . 1 . . . . 34 LYS N . 10033 1 351 . 1 1 35 35 GLN H H 1 7.744 0.030 . 1 . . . . 35 GLN H . 10033 1 352 . 1 1 35 35 GLN HA H 1 4.074 0.030 . 1 . . . . 35 GLN HA . 10033 1 353 . 1 1 35 35 GLN HB2 H 1 2.264 0.030 . 1 . . . . 35 GLN HB2 . 10033 1 354 . 1 1 35 35 GLN HB3 H 1 2.264 0.030 . 1 . . . . 35 GLN HB3 . 10033 1 355 . 1 1 35 35 GLN HG2 H 1 2.467 0.030 . 2 . . . . 35 GLN HG2 . 10033 1 356 . 1 1 35 35 GLN HG3 H 1 2.660 0.030 . 2 . . . . 35 GLN HG3 . 10033 1 357 . 1 1 35 35 GLN HE21 H 1 6.903 0.030 . 2 . . . . 35 GLN HE21 . 10033 1 358 . 1 1 35 35 GLN HE22 H 1 7.426 0.030 . 2 . . . . 35 GLN HE22 . 10033 1 359 . 1 1 35 35 GLN C C 13 179.207 0.300 . 1 . . . . 35 GLN C . 10033 1 360 . 1 1 35 35 GLN CA C 13 59.086 0.300 . 1 . . . . 35 GLN CA . 10033 1 361 . 1 1 35 35 GLN CB C 13 28.625 0.300 . 1 . . . . 35 GLN CB . 10033 1 362 . 1 1 35 35 GLN CG C 13 34.340 0.300 . 1 . . . . 35 GLN CG . 10033 1 363 . 1 1 35 35 GLN N N 15 117.288 0.300 . 1 . . . . 35 GLN N . 10033 1 364 . 1 1 35 35 GLN NE2 N 15 111.845 0.300 . 1 . . . . 35 GLN NE2 . 10033 1 365 . 1 1 36 36 LYS H H 1 7.986 0.030 . 1 . . . . 36 LYS H . 10033 1 366 . 1 1 36 36 LYS HA H 1 4.063 0.030 . 1 . . . . 36 LYS HA . 10033 1 367 . 1 1 36 36 LYS HB2 H 1 2.043 0.030 . 2 . . . . 36 LYS HB2 . 10033 1 368 . 1 1 36 36 LYS HB3 H 1 2.248 0.030 . 2 . . . . 36 LYS HB3 . 10033 1 369 . 1 1 36 36 LYS HG2 H 1 1.602 0.030 . 2 . . . . 36 LYS HG2 . 10033 1 370 . 1 1 36 36 LYS HG3 H 1 1.724 0.030 . 2 . . . . 36 LYS HG3 . 10033 1 371 . 1 1 36 36 LYS HD2 H 1 1.535 0.030 . 2 . . . . 36 LYS HD2 . 10033 1 372 . 1 1 36 36 LYS HD3 H 1 1.778 0.030 . 2 . . . . 36 LYS HD3 . 10033 1 373 . 1 1 36 36 LYS HE2 H 1 3.069 0.030 . 2 . . . . 36 LYS HE2 . 10033 1 374 . 1 1 36 36 LYS HE3 H 1 3.147 0.030 . 2 . . . . 36 LYS HE3 . 10033 1 375 . 1 1 36 36 LYS C C 13 179.078 0.300 . 1 . . . . 36 LYS C . 10033 1 376 . 1 1 36 36 LYS CA C 13 59.785 0.300 . 1 . . . . 36 LYS CA . 10033 1 377 . 1 1 36 36 LYS CB C 13 32.436 0.300 . 1 . . . . 36 LYS CB . 10033 1 378 . 1 1 36 36 LYS CG C 13 26.793 0.300 . 1 . . . . 36 LYS CG . 10033 1 379 . 1 1 36 36 LYS CD C 13 28.981 0.300 . 1 . . . . 36 LYS CD . 10033 1 380 . 1 1 36 36 LYS CE C 13 42.695 0.300 . 1 . . . . 36 LYS CE . 10033 1 381 . 1 1 36 36 LYS N N 15 120.179 0.300 . 1 . . . . 36 LYS N . 10033 1 382 . 1 1 37 37 TYR H H 1 8.433 0.030 . 1 . . . . 37 TYR H . 10033 1 383 . 1 1 37 37 TYR HA H 1 3.935 0.030 . 1 . . . . 37 TYR HA . 10033 1 384 . 1 1 37 37 TYR HB2 H 1 2.611 0.030 . 2 . . . . 37 TYR HB2 . 10033 1 385 . 1 1 37 37 TYR HB3 H 1 2.402 0.030 . 2 . . . . 37 TYR HB3 . 10033 1 386 . 1 1 37 37 TYR HD1 H 1 6.322 0.030 . 1 . . . . 37 TYR HD1 . 10033 1 387 . 1 1 37 37 TYR HD2 H 1 6.322 0.030 . 1 . . . . 37 TYR HD2 . 10033 1 388 . 1 1 37 37 TYR HE1 H 1 6.412 0.030 . 1 . . . . 37 TYR HE1 . 10033 1 389 . 1 1 37 37 TYR HE2 H 1 6.412 0.030 . 1 . . . . 37 TYR HE2 . 10033 1 390 . 1 1 37 37 TYR C C 13 175.827 0.300 . 1 . . . . 37 TYR C . 10033 1 391 . 1 1 37 37 TYR CA C 13 61.328 0.300 . 1 . . . . 37 TYR CA . 10033 1 392 . 1 1 37 37 TYR CB C 13 37.934 0.300 . 1 . . . . 37 TYR CB . 10033 1 393 . 1 1 37 37 TYR CD1 C 13 132.045 0.300 . 1 . . . . 37 TYR CD1 . 10033 1 394 . 1 1 37 37 TYR CD2 C 13 132.045 0.300 . 1 . . . . 37 TYR CD2 . 10033 1 395 . 1 1 37 37 TYR CE1 C 13 117.711 0.300 . 1 . . . . 37 TYR CE1 . 10033 1 396 . 1 1 37 37 TYR CE2 C 13 117.711 0.300 . 1 . . . . 37 TYR CE2 . 10033 1 397 . 1 1 37 37 TYR N N 15 119.870 0.300 . 1 . . . . 37 TYR N . 10033 1 398 . 1 1 38 38 GLN H H 1 8.296 0.030 . 1 . . . . 38 GLN H . 10033 1 399 . 1 1 38 38 GLN HA H 1 3.391 0.030 . 1 . . . . 38 GLN HA . 10033 1 400 . 1 1 38 38 GLN HB2 H 1 1.937 0.030 . 2 . . . . 38 GLN HB2 . 10033 1 401 . 1 1 38 38 GLN HB3 H 1 2.101 0.030 . 2 . . . . 38 GLN HB3 . 10033 1 402 . 1 1 38 38 GLN HG2 H 1 2.313 0.030 . 2 . . . . 38 GLN HG2 . 10033 1 403 . 1 1 38 38 GLN HG3 H 1 2.574 0.030 . 2 . . . . 38 GLN HG3 . 10033 1 404 . 1 1 38 38 GLN HE21 H 1 6.903 0.030 . 2 . . . . 38 GLN HE21 . 10033 1 405 . 1 1 38 38 GLN HE22 H 1 7.337 0.030 . 2 . . . . 38 GLN HE22 . 10033 1 406 . 1 1 38 38 GLN C C 13 178.767 0.300 . 1 . . . . 38 GLN C . 10033 1 407 . 1 1 38 38 GLN CA C 13 58.818 0.300 . 1 . . . . 38 GLN CA . 10033 1 408 . 1 1 38 38 GLN CB C 13 28.259 0.300 . 1 . . . . 38 GLN CB . 10033 1 409 . 1 1 38 38 GLN CG C 13 34.752 0.300 . 1 . . . . 38 GLN CG . 10033 1 410 . 1 1 38 38 GLN N N 15 115.975 0.300 . 1 . . . . 38 GLN N . 10033 1 411 . 1 1 38 38 GLN NE2 N 15 110.879 0.300 . 1 . . . . 38 GLN NE2 . 10033 1 412 . 1 1 39 39 LYS H H 1 7.595 0.030 . 1 . . . . 39 LYS H . 10033 1 413 . 1 1 39 39 LYS HA H 1 4.031 0.030 . 1 . . . . 39 LYS HA . 10033 1 414 . 1 1 39 39 LYS HB2 H 1 1.916 0.030 . 1 . . . . 39 LYS HB2 . 10033 1 415 . 1 1 39 39 LYS HB3 H 1 1.916 0.030 . 1 . . . . 39 LYS HB3 . 10033 1 416 . 1 1 39 39 LYS HG2 H 1 1.430 0.030 . 2 . . . . 39 LYS HG2 . 10033 1 417 . 1 1 39 39 LYS HG3 H 1 1.608 0.030 . 2 . . . . 39 LYS HG3 . 10033 1 418 . 1 1 39 39 LYS HD2 H 1 1.712 0.030 . 1 . . . . 39 LYS HD2 . 10033 1 419 . 1 1 39 39 LYS HD3 H 1 1.712 0.030 . 1 . . . . 39 LYS HD3 . 10033 1 420 . 1 1 39 39 LYS HE2 H 1 3.001 0.030 . 1 . . . . 39 LYS HE2 . 10033 1 421 . 1 1 39 39 LYS HE3 H 1 3.001 0.030 . 1 . . . . 39 LYS HE3 . 10033 1 422 . 1 1 39 39 LYS C C 13 179.136 0.300 . 1 . . . . 39 LYS C . 10033 1 423 . 1 1 39 39 LYS CA C 13 59.024 0.300 . 1 . . . . 39 LYS CA . 10033 1 424 . 1 1 39 39 LYS CB C 13 32.551 0.300 . 1 . . . . 39 LYS CB . 10033 1 425 . 1 1 39 39 LYS CG C 13 25.320 0.300 . 1 . . . . 39 LYS CG . 10033 1 426 . 1 1 39 39 LYS CD C 13 29.229 0.300 . 1 . . . . 39 LYS CD . 10033 1 427 . 1 1 39 39 LYS CE C 13 42.335 0.300 . 1 . . . . 39 LYS CE . 10033 1 428 . 1 1 39 39 LYS N N 15 117.534 0.300 . 1 . . . . 39 LYS N . 10033 1 429 . 1 1 40 40 LEU H H 1 7.947 0.030 . 1 . . . . 40 LEU H . 10033 1 430 . 1 1 40 40 LEU HA H 1 4.157 0.030 . 1 . . . . 40 LEU HA . 10033 1 431 . 1 1 40 40 LEU HB2 H 1 1.619 0.030 . 2 . . . . 40 LEU HB2 . 10033 1 432 . 1 1 40 40 LEU HB3 H 1 2.035 0.030 . 2 . . . . 40 LEU HB3 . 10033 1 433 . 1 1 40 40 LEU HG H 1 1.950 0.030 . 1 . . . . 40 LEU HG . 10033 1 434 . 1 1 40 40 LEU HD11 H 1 1.051 0.030 . 1 . . . . 40 LEU HD1 . 10033 1 435 . 1 1 40 40 LEU HD12 H 1 1.051 0.030 . 1 . . . . 40 LEU HD1 . 10033 1 436 . 1 1 40 40 LEU HD13 H 1 1.051 0.030 . 1 . . . . 40 LEU HD1 . 10033 1 437 . 1 1 40 40 LEU HD21 H 1 1.068 0.030 . 1 . . . . 40 LEU HD2 . 10033 1 438 . 1 1 40 40 LEU HD22 H 1 1.068 0.030 . 1 . . . . 40 LEU HD2 . 10033 1 439 . 1 1 40 40 LEU HD23 H 1 1.068 0.030 . 1 . . . . 40 LEU HD2 . 10033 1 440 . 1 1 40 40 LEU C C 13 179.474 0.300 . 1 . . . . 40 LEU C . 10033 1 441 . 1 1 40 40 LEU CA C 13 57.925 0.300 . 1 . . . . 40 LEU CA . 10033 1 442 . 1 1 40 40 LEU CB C 13 42.520 0.300 . 1 . . . . 40 LEU CB . 10033 1 443 . 1 1 40 40 LEU CG C 13 27.321 0.300 . 1 . . . . 40 LEU CG . 10033 1 444 . 1 1 40 40 LEU CD1 C 13 26.741 0.300 . 2 . . . . 40 LEU CD1 . 10033 1 445 . 1 1 40 40 LEU CD2 C 13 23.152 0.300 . 2 . . . . 40 LEU CD2 . 10033 1 446 . 1 1 40 40 LEU N N 15 120.309 0.300 . 1 . . . . 40 LEU N . 10033 1 447 . 1 1 41 41 ILE H H 1 8.334 0.030 . 1 . . . . 41 ILE H . 10033 1 448 . 1 1 41 41 ILE HA H 1 3.994 0.030 . 1 . . . . 41 ILE HA . 10033 1 449 . 1 1 41 41 ILE HB H 1 1.679 0.030 . 1 . . . . 41 ILE HB . 10033 1 450 . 1 1 41 41 ILE HG12 H 1 1.080 0.030 . 1 . . . . 41 ILE HG12 . 10033 1 451 . 1 1 41 41 ILE HG13 H 1 1.080 0.030 . 1 . . . . 41 ILE HG13 . 10033 1 452 . 1 1 41 41 ILE HG21 H 1 0.705 0.030 . 1 . . . . 41 ILE HG2 . 10033 1 453 . 1 1 41 41 ILE HG22 H 1 0.705 0.030 . 1 . . . . 41 ILE HG2 . 10033 1 454 . 1 1 41 41 ILE HG23 H 1 0.705 0.030 . 1 . . . . 41 ILE HG2 . 10033 1 455 . 1 1 41 41 ILE HD11 H 1 0.650 0.030 . 1 . . . . 41 ILE HD1 . 10033 1 456 . 1 1 41 41 ILE HD12 H 1 0.650 0.030 . 1 . . . . 41 ILE HD1 . 10033 1 457 . 1 1 41 41 ILE HD13 H 1 0.650 0.030 . 1 . . . . 41 ILE HD1 . 10033 1 458 . 1 1 41 41 ILE C C 13 177.588 0.300 . 1 . . . . 41 ILE C . 10033 1 459 . 1 1 41 41 ILE CA C 13 62.829 0.300 . 1 . . . . 41 ILE CA . 10033 1 460 . 1 1 41 41 ILE CB C 13 36.974 0.300 . 1 . . . . 41 ILE CB . 10033 1 461 . 1 1 41 41 ILE CG1 C 13 27.333 0.300 . 1 . . . . 41 ILE CG1 . 10033 1 462 . 1 1 41 41 ILE CG2 C 13 18.613 0.300 . 1 . . . . 41 ILE CG2 . 10033 1 463 . 1 1 41 41 ILE CD1 C 13 12.810 0.300 . 1 . . . . 41 ILE CD1 . 10033 1 464 . 1 1 41 41 ILE N N 15 118.190 0.300 . 1 . . . . 41 ILE N . 10033 1 465 . 1 1 42 42 LEU H H 1 6.894 0.030 . 1 . . . . 42 LEU H . 10033 1 466 . 1 1 42 42 LEU HA H 1 4.079 0.030 . 1 . . . . 42 LEU HA . 10033 1 467 . 1 1 42 42 LEU HB2 H 1 1.544 0.030 . 2 . . . . 42 LEU HB2 . 10033 1 468 . 1 1 42 42 LEU HB3 H 1 1.780 0.030 . 2 . . . . 42 LEU HB3 . 10033 1 469 . 1 1 42 42 LEU HG H 1 1.745 0.030 . 1 . . . . 42 LEU HG . 10033 1 470 . 1 1 42 42 LEU HD11 H 1 0.906 0.030 . 1 . . . . 42 LEU HD1 . 10033 1 471 . 1 1 42 42 LEU HD12 H 1 0.906 0.030 . 1 . . . . 42 LEU HD1 . 10033 1 472 . 1 1 42 42 LEU HD13 H 1 0.906 0.030 . 1 . . . . 42 LEU HD1 . 10033 1 473 . 1 1 42 42 LEU HD21 H 1 0.840 0.030 . 1 . . . . 42 LEU HD2 . 10033 1 474 . 1 1 42 42 LEU HD22 H 1 0.840 0.030 . 1 . . . . 42 LEU HD2 . 10033 1 475 . 1 1 42 42 LEU HD23 H 1 0.840 0.030 . 1 . . . . 42 LEU HD2 . 10033 1 476 . 1 1 42 42 LEU C C 13 178.617 0.300 . 1 . . . . 42 LEU C . 10033 1 477 . 1 1 42 42 LEU CA C 13 57.110 0.300 . 1 . . . . 42 LEU CA . 10033 1 478 . 1 1 42 42 LEU CB C 13 42.007 0.300 . 1 . . . . 42 LEU CB . 10033 1 479 . 1 1 42 42 LEU CG C 13 26.801 0.300 . 1 . . . . 42 LEU CG . 10033 1 480 . 1 1 42 42 LEU CD1 C 13 25.025 0.300 . 2 . . . . 42 LEU CD1 . 10033 1 481 . 1 1 42 42 LEU CD2 C 13 23.363 0.300 . 2 . . . . 42 LEU CD2 . 10033 1 482 . 1 1 42 42 LEU N N 15 118.544 0.300 . 1 . . . . 42 LEU N . 10033 1 483 . 1 1 43 43 LEU H H 1 7.281 0.030 . 1 . . . . 43 LEU H . 10033 1 484 . 1 1 43 43 LEU HA H 1 4.016 0.030 . 1 . . . . 43 LEU HA . 10033 1 485 . 1 1 43 43 LEU HB2 H 1 1.037 0.030 . 2 . . . . 43 LEU HB2 . 10033 1 486 . 1 1 43 43 LEU HB3 H 1 1.430 0.030 . 2 . . . . 43 LEU HB3 . 10033 1 487 . 1 1 43 43 LEU HG H 1 1.230 0.030 . 1 . . . . 43 LEU HG . 10033 1 488 . 1 1 43 43 LEU HD11 H 1 0.795 0.030 . 1 . . . . 43 LEU HD1 . 10033 1 489 . 1 1 43 43 LEU HD12 H 1 0.795 0.030 . 1 . . . . 43 LEU HD1 . 10033 1 490 . 1 1 43 43 LEU HD13 H 1 0.795 0.030 . 1 . . . . 43 LEU HD1 . 10033 1 491 . 1 1 43 43 LEU HD21 H 1 0.681 0.030 . 1 . . . . 43 LEU HD2 . 10033 1 492 . 1 1 43 43 LEU HD22 H 1 0.681 0.030 . 1 . . . . 43 LEU HD2 . 10033 1 493 . 1 1 43 43 LEU HD23 H 1 0.681 0.030 . 1 . . . . 43 LEU HD2 . 10033 1 494 . 1 1 43 43 LEU C C 13 178.841 0.300 . 1 . . . . 43 LEU C . 10033 1 495 . 1 1 43 43 LEU CA C 13 56.911 0.300 . 1 . . . . 43 LEU CA . 10033 1 496 . 1 1 43 43 LEU CB C 13 42.754 0.300 . 1 . . . . 43 LEU CB . 10033 1 497 . 1 1 43 43 LEU CG C 13 26.444 0.300 . 1 . . . . 43 LEU CG . 10033 1 498 . 1 1 43 43 LEU CD1 C 13 24.407 0.300 . 2 . . . . 43 LEU CD1 . 10033 1 499 . 1 1 43 43 LEU CD2 C 13 23.920 0.300 . 2 . . . . 43 LEU CD2 . 10033 1 500 . 1 1 43 43 LEU N N 15 117.583 0.300 . 1 . . . . 43 LEU N . 10033 1 501 . 1 1 44 44 TYR H H 1 7.715 0.030 . 1 . . . . 44 TYR H . 10033 1 502 . 1 1 44 44 TYR HA H 1 4.668 0.030 . 1 . . . . 44 TYR HA . 10033 1 503 . 1 1 44 44 TYR HB2 H 1 2.556 0.030 . 2 . . . . 44 TYR HB2 . 10033 1 504 . 1 1 44 44 TYR HB3 H 1 3.634 0.030 . 2 . . . . 44 TYR HB3 . 10033 1 505 . 1 1 44 44 TYR HD1 H 1 7.258 0.030 . 1 . . . . 44 TYR HD1 . 10033 1 506 . 1 1 44 44 TYR HD2 H 1 7.258 0.030 . 1 . . . . 44 TYR HD2 . 10033 1 507 . 1 1 44 44 TYR HE1 H 1 6.822 0.030 . 1 . . . . 44 TYR HE1 . 10033 1 508 . 1 1 44 44 TYR HE2 H 1 6.822 0.030 . 1 . . . . 44 TYR HE2 . 10033 1 509 . 1 1 44 44 TYR C C 13 173.968 0.300 . 1 . . . . 44 TYR C . 10033 1 510 . 1 1 44 44 TYR CA C 13 58.236 0.300 . 1 . . . . 44 TYR CA . 10033 1 511 . 1 1 44 44 TYR CB C 13 39.419 0.300 . 1 . . . . 44 TYR CB . 10033 1 512 . 1 1 44 44 TYR CD1 C 13 133.254 0.300 . 1 . . . . 44 TYR CD1 . 10033 1 513 . 1 1 44 44 TYR CD2 C 13 133.254 0.300 . 1 . . . . 44 TYR CD2 . 10033 1 514 . 1 1 44 44 TYR CE1 C 13 118.001 0.300 . 1 . . . . 44 TYR CE1 . 10033 1 515 . 1 1 44 44 TYR CE2 C 13 118.001 0.300 . 1 . . . . 44 TYR CE2 . 10033 1 516 . 1 1 44 44 TYR N N 15 113.697 0.300 . 1 . . . . 44 TYR N . 10033 1 517 . 1 1 45 45 HIS H H 1 7.694 0.030 . 1 . . . . 45 HIS H . 10033 1 518 . 1 1 45 45 HIS HA H 1 3.977 0.030 . 1 . . . . 45 HIS HA . 10033 1 519 . 1 1 45 45 HIS HB2 H 1 2.783 0.030 . 2 . . . . 45 HIS HB2 . 10033 1 520 . 1 1 45 45 HIS HB3 H 1 3.359 0.030 . 2 . . . . 45 HIS HB3 . 10033 1 521 . 1 1 45 45 HIS HD2 H 1 6.910 0.030 . 1 . . . . 45 HIS HD2 . 10033 1 522 . 1 1 45 45 HIS HE1 H 1 7.714 0.030 . 1 . . . . 45 HIS HE1 . 10033 1 523 . 1 1 45 45 HIS C C 13 176.228 0.300 . 1 . . . . 45 HIS C . 10033 1 524 . 1 1 45 45 HIS CA C 13 56.435 0.300 . 1 . . . . 45 HIS CA . 10033 1 525 . 1 1 45 45 HIS CB C 13 30.887 0.300 . 1 . . . . 45 HIS CB . 10033 1 526 . 1 1 45 45 HIS CD2 C 13 118.196 0.300 . 1 . . . . 45 HIS CD2 . 10033 1 527 . 1 1 45 45 HIS CE1 C 13 138.787 0.300 . 1 . . . . 45 HIS CE1 . 10033 1 528 . 1 1 45 45 HIS N N 15 120.388 0.300 . 1 . . . . 45 HIS N . 10033 1 529 . 1 1 46 46 PRO HA H 1 4.175 0.030 . 1 . . . . 46 PRO HA . 10033 1 530 . 1 1 46 46 PRO HB2 H 1 1.868 0.030 . 2 . . . . 46 PRO HB2 . 10033 1 531 . 1 1 46 46 PRO HB3 H 1 2.169 0.030 . 2 . . . . 46 PRO HB3 . 10033 1 532 . 1 1 46 46 PRO HG2 H 1 1.584 0.030 . 2 . . . . 46 PRO HG2 . 10033 1 533 . 1 1 46 46 PRO HG3 H 1 1.656 0.030 . 2 . . . . 46 PRO HG3 . 10033 1 534 . 1 1 46 46 PRO HD2 H 1 1.983 0.030 . 2 . . . . 46 PRO HD2 . 10033 1 535 . 1 1 46 46 PRO HD3 H 1 2.762 0.030 . 2 . . . . 46 PRO HD3 . 10033 1 536 . 1 1 46 46 PRO CA C 13 65.015 0.300 . 1 . . . . 46 PRO CA . 10033 1 537 . 1 1 46 46 PRO CB C 13 32.246 0.300 . 1 . . . . 46 PRO CB . 10033 1 538 . 1 1 46 46 PRO CG C 13 27.321 0.300 . 1 . . . . 46 PRO CG . 10033 1 539 . 1 1 46 46 PRO CD C 13 50.072 0.300 . 1 . . . . 46 PRO CD . 10033 1 540 . 1 1 47 47 ASP H H 1 10.355 0.030 . 1 . . . . 47 ASP H . 10033 1 541 . 1 1 47 47 ASP HA H 1 4.646 0.030 . 1 . . . . 47 ASP HA . 10033 1 542 . 1 1 47 47 ASP HB2 H 1 2.622 0.030 . 2 . . . . 47 ASP HB2 . 10033 1 543 . 1 1 47 47 ASP HB3 H 1 2.784 0.030 . 2 . . . . 47 ASP HB3 . 10033 1 544 . 1 1 47 47 ASP C C 13 177.281 0.300 . 1 . . . . 47 ASP C . 10033 1 545 . 1 1 47 47 ASP CA C 13 55.337 0.300 . 1 . . . . 47 ASP CA . 10033 1 546 . 1 1 47 47 ASP CB C 13 40.688 0.300 . 1 . . . . 47 ASP CB . 10033 1 547 . 1 1 47 47 ASP N N 15 119.821 0.300 . 1 . . . . 47 ASP N . 10033 1 548 . 1 1 48 48 LYS H H 1 7.890 0.030 . 1 . . . . 48 LYS H . 10033 1 549 . 1 1 48 48 LYS HA H 1 4.432 0.030 . 1 . . . . 48 LYS HA . 10033 1 550 . 1 1 48 48 LYS HB2 H 1 1.742 0.030 . 2 . . . . 48 LYS HB2 . 10033 1 551 . 1 1 48 48 LYS HB3 H 1 2.039 0.030 . 2 . . . . 48 LYS HB3 . 10033 1 552 . 1 1 48 48 LYS HG2 H 1 1.254 0.030 . 2 . . . . 48 LYS HG2 . 10033 1 553 . 1 1 48 48 LYS HG3 H 1 1.317 0.030 . 2 . . . . 48 LYS HG3 . 10033 1 554 . 1 1 48 48 LYS HD2 H 1 1.596 0.030 . 2 . . . . 48 LYS HD2 . 10033 1 555 . 1 1 48 48 LYS HD3 H 1 1.562 0.030 . 2 . . . . 48 LYS HD3 . 10033 1 556 . 1 1 48 48 LYS HE2 H 1 2.692 0.030 . 2 . . . . 48 LYS HE2 . 10033 1 557 . 1 1 48 48 LYS HE3 H 1 2.857 0.030 . 2 . . . . 48 LYS HE3 . 10033 1 558 . 1 1 48 48 LYS C C 13 176.535 0.300 . 1 . . . . 48 LYS C . 10033 1 559 . 1 1 48 48 LYS CA C 13 55.079 0.300 . 1 . . . . 48 LYS CA . 10033 1 560 . 1 1 48 48 LYS CB C 13 32.388 0.300 . 1 . . . . 48 LYS CB . 10033 1 561 . 1 1 48 48 LYS CG C 13 24.695 0.300 . 1 . . . . 48 LYS CG . 10033 1 562 . 1 1 48 48 LYS CD C 13 28.487 0.300 . 1 . . . . 48 LYS CD . 10033 1 563 . 1 1 48 48 LYS CE C 13 42.253 0.300 . 1 . . . . 48 LYS CE . 10033 1 564 . 1 1 48 48 LYS N N 15 118.551 0.300 . 1 . . . . 48 LYS N . 10033 1 565 . 1 1 49 49 GLN H H 1 7.730 0.030 . 1 . . . . 49 GLN H . 10033 1 566 . 1 1 49 49 GLN HA H 1 4.349 0.030 . 1 . . . . 49 GLN HA . 10033 1 567 . 1 1 49 49 GLN HB2 H 1 1.968 0.030 . 2 . . . . 49 GLN HB2 . 10033 1 568 . 1 1 49 49 GLN HB3 H 1 2.235 0.030 . 2 . . . . 49 GLN HB3 . 10033 1 569 . 1 1 49 49 GLN HG2 H 1 2.399 0.030 . 2 . . . . 49 GLN HG2 . 10033 1 570 . 1 1 49 49 GLN HG3 H 1 2.507 0.030 . 2 . . . . 49 GLN HG3 . 10033 1 571 . 1 1 49 49 GLN HE21 H 1 6.748 0.030 . 2 . . . . 49 GLN HE21 . 10033 1 572 . 1 1 49 49 GLN HE22 H 1 7.367 0.030 . 2 . . . . 49 GLN HE22 . 10033 1 573 . 1 1 49 49 GLN C C 13 176.070 0.300 . 1 . . . . 49 GLN C . 10033 1 574 . 1 1 49 49 GLN CA C 13 54.661 0.300 . 1 . . . . 49 GLN CA . 10033 1 575 . 1 1 49 49 GLN CB C 13 29.021 0.300 . 1 . . . . 49 GLN CB . 10033 1 576 . 1 1 49 49 GLN CG C 13 33.770 0.300 . 1 . . . . 49 GLN CG . 10033 1 577 . 1 1 49 49 GLN N N 15 118.668 0.300 . 1 . . . . 49 GLN N . 10033 1 578 . 1 1 49 49 GLN NE2 N 15 114.169 0.300 . 1 . . . . 49 GLN NE2 . 10033 1 579 . 1 1 50 50 SER H H 1 8.460 0.030 . 1 . . . . 50 SER H . 10033 1 580 . 1 1 50 50 SER HA H 1 4.403 0.030 . 1 . . . . 50 SER HA . 10033 1 581 . 1 1 50 50 SER HB2 H 1 3.857 0.030 . 2 . . . . 50 SER HB2 . 10033 1 582 . 1 1 50 50 SER HB3 H 1 3.975 0.030 . 2 . . . . 50 SER HB3 . 10033 1 583 . 1 1 50 50 SER C C 13 174.756 0.300 . 1 . . . . 50 SER C . 10033 1 584 . 1 1 50 50 SER CA C 13 58.277 0.300 . 1 . . . . 50 SER CA . 10033 1 585 . 1 1 50 50 SER CB C 13 63.905 0.300 . 1 . . . . 50 SER CB . 10033 1 586 . 1 1 50 50 SER N N 15 117.097 0.300 . 1 . . . . 50 SER N . 10033 1 587 . 1 1 51 51 ALA H H 1 8.522 0.030 . 1 . . . . 51 ALA H . 10033 1 588 . 1 1 51 51 ALA HA H 1 4.271 0.030 . 1 . . . . 51 ALA HA . 10033 1 589 . 1 1 51 51 ALA HB1 H 1 1.424 0.030 . 1 . . . . 51 ALA HB . 10033 1 590 . 1 1 51 51 ALA HB2 H 1 1.424 0.030 . 1 . . . . 51 ALA HB . 10033 1 591 . 1 1 51 51 ALA HB3 H 1 1.424 0.030 . 1 . . . . 51 ALA HB . 10033 1 592 . 1 1 51 51 ALA C C 13 177.734 0.300 . 1 . . . . 51 ALA C . 10033 1 593 . 1 1 51 51 ALA CA C 13 53.499 0.300 . 1 . . . . 51 ALA CA . 10033 1 594 . 1 1 51 51 ALA CB C 13 19.023 0.300 . 1 . . . . 51 ALA CB . 10033 1 595 . 1 1 51 51 ALA N N 15 125.347 0.300 . 1 . . . . 51 ALA N . 10033 1 596 . 1 1 52 52 ASP H H 1 8.197 0.030 . 1 . . . . 52 ASP H . 10033 1 597 . 1 1 52 52 ASP HA H 1 4.595 0.030 . 1 . . . . 52 ASP HA . 10033 1 598 . 1 1 52 52 ASP HB2 H 1 2.626 0.030 . 2 . . . . 52 ASP HB2 . 10033 1 599 . 1 1 52 52 ASP HB3 H 1 2.690 0.030 . 2 . . . . 52 ASP HB3 . 10033 1 600 . 1 1 52 52 ASP C C 13 175.891 0.300 . 1 . . . . 52 ASP C . 10033 1 601 . 1 1 52 52 ASP CA C 13 53.940 0.300 . 1 . . . . 52 ASP CA . 10033 1 602 . 1 1 52 52 ASP CB C 13 40.637 0.300 . 1 . . . . 52 ASP CB . 10033 1 603 . 1 1 52 52 ASP N N 15 116.412 0.300 . 1 . . . . 52 ASP N . 10033 1 604 . 1 1 53 53 VAL H H 1 7.477 0.030 . 1 . . . . 53 VAL H . 10033 1 605 . 1 1 53 53 VAL HA H 1 4.430 0.030 . 1 . . . . 53 VAL HA . 10033 1 606 . 1 1 53 53 VAL HB H 1 2.187 0.030 . 1 . . . . 53 VAL HB . 10033 1 607 . 1 1 53 53 VAL HG11 H 1 1.032 0.030 . 1 . . . . 53 VAL HG1 . 10033 1 608 . 1 1 53 53 VAL HG12 H 1 1.032 0.030 . 1 . . . . 53 VAL HG1 . 10033 1 609 . 1 1 53 53 VAL HG13 H 1 1.032 0.030 . 1 . . . . 53 VAL HG1 . 10033 1 610 . 1 1 53 53 VAL HG21 H 1 1.008 0.030 . 1 . . . . 53 VAL HG2 . 10033 1 611 . 1 1 53 53 VAL HG22 H 1 1.008 0.030 . 1 . . . . 53 VAL HG2 . 10033 1 612 . 1 1 53 53 VAL HG23 H 1 1.008 0.030 . 1 . . . . 53 VAL HG2 . 10033 1 613 . 1 1 53 53 VAL C C 13 174.073 0.300 . 1 . . . . 53 VAL C . 10033 1 614 . 1 1 53 53 VAL CA C 13 59.891 0.300 . 1 . . . . 53 VAL CA . 10033 1 615 . 1 1 53 53 VAL CB C 13 32.437 0.300 . 1 . . . . 53 VAL CB . 10033 1 616 . 1 1 53 53 VAL CG1 C 13 21.458 0.300 . 2 . . . . 53 VAL CG1 . 10033 1 617 . 1 1 53 53 VAL CG2 C 13 20.403 0.300 . 2 . . . . 53 VAL CG2 . 10033 1 618 . 1 1 53 53 VAL N N 15 119.708 0.300 . 1 . . . . 53 VAL N . 10033 1 619 . 1 1 54 54 PRO HA H 1 4.495 0.030 . 1 . . . . 54 PRO HA . 10033 1 620 . 1 1 54 54 PRO HB2 H 1 2.014 0.030 . 2 . . . . 54 PRO HB2 . 10033 1 621 . 1 1 54 54 PRO HB3 H 1 2.405 0.030 . 2 . . . . 54 PRO HB3 . 10033 1 622 . 1 1 54 54 PRO HG2 H 1 2.024 0.030 . 2 . . . . 54 PRO HG2 . 10033 1 623 . 1 1 54 54 PRO HG3 H 1 2.084 0.030 . 2 . . . . 54 PRO HG3 . 10033 1 624 . 1 1 54 54 PRO HD2 H 1 3.927 0.030 . 2 . . . . 54 PRO HD2 . 10033 1 625 . 1 1 54 54 PRO HD3 H 1 3.638 0.030 . 2 . . . . 54 PRO HD3 . 10033 1 626 . 1 1 54 54 PRO C C 13 177.388 0.300 . 1 . . . . 54 PRO C . 10033 1 627 . 1 1 54 54 PRO CA C 13 62.962 0.300 . 1 . . . . 54 PRO CA . 10033 1 628 . 1 1 54 54 PRO CB C 13 32.444 0.300 . 1 . . . . 54 PRO CB . 10033 1 629 . 1 1 54 54 PRO CG C 13 27.673 0.300 . 1 . . . . 54 PRO CG . 10033 1 630 . 1 1 54 54 PRO CD C 13 51.094 0.300 . 1 . . . . 54 PRO CD . 10033 1 631 . 1 1 55 55 ALA H H 1 8.745 0.030 . 1 . . . . 55 ALA H . 10033 1 632 . 1 1 55 55 ALA HA H 1 4.217 0.030 . 1 . . . . 55 ALA HA . 10033 1 633 . 1 1 55 55 ALA HB1 H 1 1.467 0.030 . 1 . . . . 55 ALA HB . 10033 1 634 . 1 1 55 55 ALA HB2 H 1 1.467 0.030 . 1 . . . . 55 ALA HB . 10033 1 635 . 1 1 55 55 ALA HB3 H 1 1.467 0.030 . 1 . . . . 55 ALA HB . 10033 1 636 . 1 1 55 55 ALA C C 13 179.313 0.300 . 1 . . . . 55 ALA C . 10033 1 637 . 1 1 55 55 ALA CA C 13 54.486 0.300 . 1 . . . . 55 ALA CA . 10033 1 638 . 1 1 55 55 ALA CB C 13 18.760 0.300 . 1 . . . . 55 ALA CB . 10033 1 639 . 1 1 55 55 ALA N N 15 125.303 0.300 . 1 . . . . 55 ALA N . 10033 1 640 . 1 1 56 56 GLY H H 1 8.669 0.030 . 1 . . . . 56 GLY H . 10033 1 641 . 1 1 56 56 GLY HA2 H 1 3.974 0.030 . 2 . . . . 56 GLY HA2 . 10033 1 642 . 1 1 56 56 GLY HA3 H 1 4.096 0.030 . 2 . . . . 56 GLY HA3 . 10033 1 643 . 1 1 56 56 GLY C C 13 175.800 0.300 . 1 . . . . 56 GLY C . 10033 1 644 . 1 1 56 56 GLY CA C 13 46.163 0.300 . 1 . . . . 56 GLY CA . 10033 1 645 . 1 1 56 56 GLY N N 15 106.706 0.300 . 1 . . . . 56 GLY N . 10033 1 646 . 1 1 57 57 THR H H 1 7.770 0.030 . 1 . . . . 57 THR H . 10033 1 647 . 1 1 57 57 THR HA H 1 4.321 0.030 . 1 . . . . 57 THR HA . 10033 1 648 . 1 1 57 57 THR HB H 1 4.349 0.030 . 1 . . . . 57 THR HB . 10033 1 649 . 1 1 57 57 THR HG21 H 1 1.313 0.030 . 1 . . . . 57 THR HG2 . 10033 1 650 . 1 1 57 57 THR HG22 H 1 1.313 0.030 . 1 . . . . 57 THR HG2 . 10033 1 651 . 1 1 57 57 THR HG23 H 1 1.313 0.030 . 1 . . . . 57 THR HG2 . 10033 1 652 . 1 1 57 57 THR C C 13 175.968 0.300 . 1 . . . . 57 THR C . 10033 1 653 . 1 1 57 57 THR CA C 13 64.374 0.300 . 1 . . . . 57 THR CA . 10033 1 654 . 1 1 57 57 THR CB C 13 69.651 0.300 . 1 . . . . 57 THR CB . 10033 1 655 . 1 1 57 57 THR CG2 C 13 22.057 0.300 . 1 . . . . 57 THR CG2 . 10033 1 656 . 1 1 57 57 THR N N 15 116.329 0.300 . 1 . . . . 57 THR N . 10033 1 657 . 1 1 58 58 MET H H 1 8.555 0.030 . 1 . . . . 58 MET H . 10033 1 658 . 1 1 58 58 MET HA H 1 4.338 0.030 . 1 . . . . 58 MET HA . 10033 1 659 . 1 1 58 58 MET HB2 H 1 2.149 0.030 . 2 . . . . 58 MET HB2 . 10033 1 660 . 1 1 58 58 MET HB3 H 1 2.175 0.030 . 2 . . . . 58 MET HB3 . 10033 1 661 . 1 1 58 58 MET HG2 H 1 2.638 0.030 . 1 . . . . 58 MET HG2 . 10033 1 662 . 1 1 58 58 MET HG3 H 1 2.638 0.030 . 1 . . . . 58 MET HG3 . 10033 1 663 . 1 1 58 58 MET HE1 H 1 2.133 0.030 . 1 . . . . 58 MET HE . 10033 1 664 . 1 1 58 58 MET HE2 H 1 2.133 0.030 . 1 . . . . 58 MET HE . 10033 1 665 . 1 1 58 58 MET HE3 H 1 2.133 0.030 . 1 . . . . 58 MET HE . 10033 1 666 . 1 1 58 58 MET C C 13 178.269 0.300 . 1 . . . . 58 MET C . 10033 1 667 . 1 1 58 58 MET CA C 13 58.143 0.300 . 1 . . . . 58 MET CA . 10033 1 668 . 1 1 58 58 MET CB C 13 31.461 0.300 . 1 . . . . 58 MET CB . 10033 1 669 . 1 1 58 58 MET CG C 13 32.279 0.300 . 1 . . . . 58 MET CG . 10033 1 670 . 1 1 58 58 MET CE C 13 17.176 0.300 . 1 . . . . 58 MET CE . 10033 1 671 . 1 1 58 58 MET N N 15 122.676 0.300 . 1 . . . . 58 MET N . 10033 1 672 . 1 1 59 59 GLU H H 1 8.587 0.030 . 1 . . . . 59 GLU H . 10033 1 673 . 1 1 59 59 GLU HA H 1 4.088 0.030 . 1 . . . . 59 GLU HA . 10033 1 674 . 1 1 59 59 GLU HB2 H 1 2.071 0.030 . 2 . . . . 59 GLU HB2 . 10033 1 675 . 1 1 59 59 GLU HB3 H 1 2.138 0.030 . 2 . . . . 59 GLU HB3 . 10033 1 676 . 1 1 59 59 GLU HG2 H 1 2.361 0.030 . 1 . . . . 59 GLU HG2 . 10033 1 677 . 1 1 59 59 GLU HG3 H 1 2.361 0.030 . 1 . . . . 59 GLU HG3 . 10033 1 678 . 1 1 59 59 GLU C C 13 179.043 0.300 . 1 . . . . 59 GLU C . 10033 1 679 . 1 1 59 59 GLU CA C 13 59.801 0.300 . 1 . . . . 59 GLU CA . 10033 1 680 . 1 1 59 59 GLU CB C 13 29.314 0.300 . 1 . . . . 59 GLU CB . 10033 1 681 . 1 1 59 59 GLU CG C 13 36.565 0.300 . 1 . . . . 59 GLU CG . 10033 1 682 . 1 1 59 59 GLU N N 15 119.970 0.300 . 1 . . . . 59 GLU N . 10033 1 683 . 1 1 60 60 GLU H H 1 7.830 0.030 . 1 . . . . 60 GLU H . 10033 1 684 . 1 1 60 60 GLU HA H 1 4.113 0.030 . 1 . . . . 60 GLU HA . 10033 1 685 . 1 1 60 60 GLU HB2 H 1 2.168 0.030 . 2 . . . . 60 GLU HB2 . 10033 1 686 . 1 1 60 60 GLU HB3 H 1 2.269 0.030 . 2 . . . . 60 GLU HB3 . 10033 1 687 . 1 1 60 60 GLU HG2 H 1 2.279 0.030 . 2 . . . . 60 GLU HG2 . 10033 1 688 . 1 1 60 60 GLU HG3 H 1 2.415 0.030 . 2 . . . . 60 GLU HG3 . 10033 1 689 . 1 1 60 60 GLU C C 13 179.080 0.300 . 1 . . . . 60 GLU C . 10033 1 690 . 1 1 60 60 GLU CA C 13 59.298 0.300 . 1 . . . . 60 GLU CA . 10033 1 691 . 1 1 60 60 GLU CB C 13 29.783 0.300 . 1 . . . . 60 GLU CB . 10033 1 692 . 1 1 60 60 GLU CG C 13 36.648 0.300 . 1 . . . . 60 GLU CG . 10033 1 693 . 1 1 60 60 GLU N N 15 120.393 0.300 . 1 . . . . 60 GLU N . 10033 1 694 . 1 1 61 61 CYS H H 1 8.461 0.030 . 1 . . . . 61 CYS H . 10033 1 695 . 1 1 61 61 CYS HA H 1 4.191 0.030 . 1 . . . . 61 CYS HA . 10033 1 696 . 1 1 61 61 CYS HB2 H 1 3.179 0.030 . 2 . . . . 61 CYS HB2 . 10033 1 697 . 1 1 61 61 CYS HB3 H 1 3.302 0.030 . 2 . . . . 61 CYS HB3 . 10033 1 698 . 1 1 61 61 CYS C C 13 176.473 0.300 . 1 . . . . 61 CYS C . 10033 1 699 . 1 1 61 61 CYS CA C 13 63.732 0.300 . 1 . . . . 61 CYS CA . 10033 1 700 . 1 1 61 61 CYS CB C 13 26.492 0.300 . 1 . . . . 61 CYS CB . 10033 1 701 . 1 1 61 61 CYS N N 15 118.868 0.300 . 1 . . . . 61 CYS N . 10033 1 702 . 1 1 62 62 MET H H 1 8.402 0.030 . 1 . . . . 62 MET H . 10033 1 703 . 1 1 62 62 MET HA H 1 4.378 0.030 . 1 . . . . 62 MET HA . 10033 1 704 . 1 1 62 62 MET HB2 H 1 2.249 0.030 . 1 . . . . 62 MET HB2 . 10033 1 705 . 1 1 62 62 MET HB3 H 1 2.249 0.030 . 1 . . . . 62 MET HB3 . 10033 1 706 . 1 1 62 62 MET HG2 H 1 2.725 0.030 . 1 . . . . 62 MET HG2 . 10033 1 707 . 1 1 62 62 MET HG3 H 1 2.725 0.030 . 1 . . . . 62 MET HG3 . 10033 1 708 . 1 1 62 62 MET HE1 H 1 2.115 0.030 . 1 . . . . 62 MET HE . 10033 1 709 . 1 1 62 62 MET HE2 H 1 2.115 0.030 . 1 . . . . 62 MET HE . 10033 1 710 . 1 1 62 62 MET HE3 H 1 2.115 0.030 . 1 . . . . 62 MET HE . 10033 1 711 . 1 1 62 62 MET C C 13 178.004 0.300 . 1 . . . . 62 MET C . 10033 1 712 . 1 1 62 62 MET CA C 13 58.160 0.300 . 1 . . . . 62 MET CA . 10033 1 713 . 1 1 62 62 MET CB C 13 31.711 0.300 . 1 . . . . 62 MET CB . 10033 1 714 . 1 1 62 62 MET CG C 13 32.196 0.300 . 1 . . . . 62 MET CG . 10033 1 715 . 1 1 62 62 MET CE C 13 16.977 0.300 . 1 . . . . 62 MET CE . 10033 1 716 . 1 1 62 62 MET N N 15 118.529 0.300 . 1 . . . . 62 MET N . 10033 1 717 . 1 1 63 63 GLN H H 1 7.910 0.030 . 1 . . . . 63 GLN H . 10033 1 718 . 1 1 63 63 GLN HA H 1 4.047 0.030 . 1 . . . . 63 GLN HA . 10033 1 719 . 1 1 63 63 GLN HB2 H 1 2.161 0.030 . 2 . . . . 63 GLN HB2 . 10033 1 720 . 1 1 63 63 GLN HB3 H 1 2.203 0.030 . 2 . . . . 63 GLN HB3 . 10033 1 721 . 1 1 63 63 GLN HG2 H 1 2.455 0.030 . 2 . . . . 63 GLN HG2 . 10033 1 722 . 1 1 63 63 GLN HG3 H 1 2.512 0.030 . 2 . . . . 63 GLN HG3 . 10033 1 723 . 1 1 63 63 GLN HE21 H 1 6.806 0.030 . 2 . . . . 63 GLN HE21 . 10033 1 724 . 1 1 63 63 GLN HE22 H 1 7.633 0.030 . 2 . . . . 63 GLN HE22 . 10033 1 725 . 1 1 63 63 GLN C C 13 178.857 0.300 . 1 . . . . 63 GLN C . 10033 1 726 . 1 1 63 63 GLN CA C 13 58.857 0.300 . 1 . . . . 63 GLN CA . 10033 1 727 . 1 1 63 63 GLN CB C 13 28.034 0.300 . 1 . . . . 63 GLN CB . 10033 1 728 . 1 1 63 63 GLN CG C 13 33.680 0.300 . 1 . . . . 63 GLN CG . 10033 1 729 . 1 1 63 63 GLN N N 15 117.793 0.300 . 1 . . . . 63 GLN N . 10033 1 730 . 1 1 63 63 GLN NE2 N 15 112.212 0.300 . 1 . . . . 63 GLN NE2 . 10033 1 731 . 1 1 64 64 LYS H H 1 7.964 0.030 . 1 . . . . 64 LYS H . 10033 1 732 . 1 1 64 64 LYS HA H 1 4.019 0.030 . 1 . . . . 64 LYS HA . 10033 1 733 . 1 1 64 64 LYS HB2 H 1 1.180 0.030 . 2 . . . . 64 LYS HB2 . 10033 1 734 . 1 1 64 64 LYS HB3 H 1 1.589 0.030 . 2 . . . . 64 LYS HB3 . 10033 1 735 . 1 1 64 64 LYS HG2 H 1 1.158 0.030 . 2 . . . . 64 LYS HG2 . 10033 1 736 . 1 1 64 64 LYS HG3 H 1 1.273 0.030 . 2 . . . . 64 LYS HG3 . 10033 1 737 . 1 1 64 64 LYS HD2 H 1 1.346 0.030 . 1 . . . . 64 LYS HD2 . 10033 1 738 . 1 1 64 64 LYS HD3 H 1 1.346 0.030 . 1 . . . . 64 LYS HD3 . 10033 1 739 . 1 1 64 64 LYS HE2 H 1 2.775 0.030 . 1 . . . . 64 LYS HE2 . 10033 1 740 . 1 1 64 64 LYS HE3 H 1 2.775 0.030 . 1 . . . . 64 LYS HE3 . 10033 1 741 . 1 1 64 64 LYS C C 13 178.629 0.300 . 1 . . . . 64 LYS C . 10033 1 742 . 1 1 64 64 LYS CA C 13 58.792 0.300 . 1 . . . . 64 LYS CA . 10033 1 743 . 1 1 64 64 LYS CB C 13 31.630 0.300 . 1 . . . . 64 LYS CB . 10033 1 744 . 1 1 64 64 LYS CG C 13 25.025 0.300 . 1 . . . . 64 LYS CG . 10033 1 745 . 1 1 64 64 LYS CD C 13 28.569 0.300 . 1 . . . . 64 LYS CD . 10033 1 746 . 1 1 64 64 LYS CE C 13 42.171 0.300 . 1 . . . . 64 LYS CE . 10033 1 747 . 1 1 64 64 LYS N N 15 119.208 0.300 . 1 . . . . 64 LYS N . 10033 1 748 . 1 1 65 65 PHE H H 1 8.618 0.030 . 1 . . . . 65 PHE H . 10033 1 749 . 1 1 65 65 PHE HA H 1 4.043 0.030 . 1 . . . . 65 PHE HA . 10033 1 750 . 1 1 65 65 PHE HB2 H 1 3.283 0.030 . 2 . . . . 65 PHE HB2 . 10033 1 751 . 1 1 65 65 PHE HB3 H 1 3.410 0.030 . 2 . . . . 65 PHE HB3 . 10033 1 752 . 1 1 65 65 PHE HD1 H 1 7.086 0.030 . 1 . . . . 65 PHE HD1 . 10033 1 753 . 1 1 65 65 PHE HD2 H 1 7.086 0.030 . 1 . . . . 65 PHE HD2 . 10033 1 754 . 1 1 65 65 PHE HE1 H 1 7.282 0.030 . 1 . . . . 65 PHE HE1 . 10033 1 755 . 1 1 65 65 PHE HE2 H 1 7.282 0.030 . 1 . . . . 65 PHE HE2 . 10033 1 756 . 1 1 65 65 PHE HZ H 1 7.171 0.030 . 1 . . . . 65 PHE HZ . 10033 1 757 . 1 1 65 65 PHE C C 13 176.627 0.300 . 1 . . . . 65 PHE C . 10033 1 758 . 1 1 65 65 PHE CA C 13 61.672 0.300 . 1 . . . . 65 PHE CA . 10033 1 759 . 1 1 65 65 PHE CB C 13 39.129 0.300 . 1 . . . . 65 PHE CB . 10033 1 760 . 1 1 65 65 PHE CD1 C 13 131.672 0.300 . 1 . . . . 65 PHE CD1 . 10033 1 761 . 1 1 65 65 PHE CD2 C 13 131.672 0.300 . 1 . . . . 65 PHE CD2 . 10033 1 762 . 1 1 65 65 PHE CE1 C 13 131.532 0.300 . 1 . . . . 65 PHE CE1 . 10033 1 763 . 1 1 65 65 PHE CE2 C 13 131.532 0.300 . 1 . . . . 65 PHE CE2 . 10033 1 764 . 1 1 65 65 PHE CZ C 13 129.804 0.300 . 1 . . . . 65 PHE CZ . 10033 1 765 . 1 1 65 65 PHE N N 15 119.701 0.300 . 1 . . . . 65 PHE N . 10033 1 766 . 1 1 66 66 ILE H H 1 8.148 0.030 . 1 . . . . 66 ILE H . 10033 1 767 . 1 1 66 66 ILE HA H 1 3.560 0.030 . 1 . . . . 66 ILE HA . 10033 1 768 . 1 1 66 66 ILE HB H 1 1.987 0.030 . 1 . . . . 66 ILE HB . 10033 1 769 . 1 1 66 66 ILE HG12 H 1 1.325 0.030 . 2 . . . . 66 ILE HG12 . 10033 1 770 . 1 1 66 66 ILE HG13 H 1 1.863 0.030 . 2 . . . . 66 ILE HG13 . 10033 1 771 . 1 1 66 66 ILE HG21 H 1 0.966 0.030 . 1 . . . . 66 ILE HG2 . 10033 1 772 . 1 1 66 66 ILE HG22 H 1 0.966 0.030 . 1 . . . . 66 ILE HG2 . 10033 1 773 . 1 1 66 66 ILE HG23 H 1 0.966 0.030 . 1 . . . . 66 ILE HG2 . 10033 1 774 . 1 1 66 66 ILE HD11 H 1 0.920 0.030 . 1 . . . . 66 ILE HD1 . 10033 1 775 . 1 1 66 66 ILE HD12 H 1 0.920 0.030 . 1 . . . . 66 ILE HD1 . 10033 1 776 . 1 1 66 66 ILE HD13 H 1 0.920 0.030 . 1 . . . . 66 ILE HD1 . 10033 1 777 . 1 1 66 66 ILE C C 13 178.915 0.300 . 1 . . . . 66 ILE C . 10033 1 778 . 1 1 66 66 ILE CA C 13 64.680 0.300 . 1 . . . . 66 ILE CA . 10033 1 779 . 1 1 66 66 ILE CB C 13 37.959 0.300 . 1 . . . . 66 ILE CB . 10033 1 780 . 1 1 66 66 ILE CG1 C 13 29.300 0.300 . 1 . . . . 66 ILE CG1 . 10033 1 781 . 1 1 66 66 ILE CG2 C 13 17.194 0.300 . 1 . . . . 66 ILE CG2 . 10033 1 782 . 1 1 66 66 ILE CD1 C 13 13.237 0.300 . 1 . . . . 66 ILE CD1 . 10033 1 783 . 1 1 66 66 ILE N N 15 118.134 0.300 . 1 . . . . 66 ILE N . 10033 1 784 . 1 1 67 67 GLU H H 1 7.573 0.030 . 1 . . . . 67 GLU H . 10033 1 785 . 1 1 67 67 GLU HA H 1 4.268 0.030 . 1 . . . . 67 GLU HA . 10033 1 786 . 1 1 67 67 GLU HB2 H 1 2.198 0.030 . 2 . . . . 67 GLU HB2 . 10033 1 787 . 1 1 67 67 GLU HB3 H 1 2.292 0.030 . 2 . . . . 67 GLU HB3 . 10033 1 788 . 1 1 67 67 GLU HG2 H 1 2.379 0.030 . 2 . . . . 67 GLU HG2 . 10033 1 789 . 1 1 67 67 GLU HG3 H 1 2.600 0.030 . 2 . . . . 67 GLU HG3 . 10033 1 790 . 1 1 67 67 GLU C C 13 178.181 0.300 . 1 . . . . 67 GLU C . 10033 1 791 . 1 1 67 67 GLU CA C 13 59.800 0.300 . 1 . . . . 67 GLU CA . 10033 1 792 . 1 1 67 67 GLU CB C 13 30.003 0.300 . 1 . . . . 67 GLU CB . 10033 1 793 . 1 1 67 67 GLU CG C 13 37.307 0.300 . 1 . . . . 67 GLU CG . 10033 1 794 . 1 1 67 67 GLU N N 15 119.660 0.300 . 1 . . . . 67 GLU N . 10033 1 795 . 1 1 68 68 ILE H H 1 8.176 0.030 . 1 . . . . 68 ILE H . 10033 1 796 . 1 1 68 68 ILE HA H 1 3.626 0.030 . 1 . . . . 68 ILE HA . 10033 1 797 . 1 1 68 68 ILE HB H 1 1.830 0.030 . 1 . . . . 68 ILE HB . 10033 1 798 . 1 1 68 68 ILE HG12 H 1 1.141 0.030 . 2 . . . . 68 ILE HG12 . 10033 1 799 . 1 1 68 68 ILE HG13 H 1 1.763 0.030 . 2 . . . . 68 ILE HG13 . 10033 1 800 . 1 1 68 68 ILE HG21 H 1 1.001 0.030 . 1 . . . . 68 ILE HG2 . 10033 1 801 . 1 1 68 68 ILE HG22 H 1 1.001 0.030 . 1 . . . . 68 ILE HG2 . 10033 1 802 . 1 1 68 68 ILE HG23 H 1 1.001 0.030 . 1 . . . . 68 ILE HG2 . 10033 1 803 . 1 1 68 68 ILE HD11 H 1 0.858 0.030 . 1 . . . . 68 ILE HD1 . 10033 1 804 . 1 1 68 68 ILE HD12 H 1 0.858 0.030 . 1 . . . . 68 ILE HD1 . 10033 1 805 . 1 1 68 68 ILE HD13 H 1 0.858 0.030 . 1 . . . . 68 ILE HD1 . 10033 1 806 . 1 1 68 68 ILE C C 13 177.312 0.300 . 1 . . . . 68 ILE C . 10033 1 807 . 1 1 68 68 ILE CA C 13 65.366 0.300 . 1 . . . . 68 ILE CA . 10033 1 808 . 1 1 68 68 ILE CB C 13 38.259 0.300 . 1 . . . . 68 ILE CB . 10033 1 809 . 1 1 68 68 ILE CG1 C 13 29.647 0.300 . 1 . . . . 68 ILE CG1 . 10033 1 810 . 1 1 68 68 ILE CG2 C 13 18.693 0.300 . 1 . . . . 68 ILE CG2 . 10033 1 811 . 1 1 68 68 ILE CD1 C 13 15.983 0.300 . 1 . . . . 68 ILE CD1 . 10033 1 812 . 1 1 68 68 ILE N N 15 120.735 0.300 . 1 . . . . 68 ILE N . 10033 1 813 . 1 1 69 69 ASP H H 1 8.115 0.030 . 1 . . . . 69 ASP H . 10033 1 814 . 1 1 69 69 ASP HA H 1 4.501 0.030 . 1 . . . . 69 ASP HA . 10033 1 815 . 1 1 69 69 ASP HB2 H 1 2.275 0.030 . 2 . . . . 69 ASP HB2 . 10033 1 816 . 1 1 69 69 ASP HB3 H 1 2.463 0.030 . 2 . . . . 69 ASP HB3 . 10033 1 817 . 1 1 69 69 ASP C C 13 178.962 0.300 . 1 . . . . 69 ASP C . 10033 1 818 . 1 1 69 69 ASP CA C 13 57.644 0.300 . 1 . . . . 69 ASP CA . 10033 1 819 . 1 1 69 69 ASP CB C 13 41.786 0.300 . 1 . . . . 69 ASP CB . 10033 1 820 . 1 1 69 69 ASP N N 15 119.329 0.300 . 1 . . . . 69 ASP N . 10033 1 821 . 1 1 70 70 GLN H H 1 8.051 0.030 . 1 . . . . 70 GLN H . 10033 1 822 . 1 1 70 70 GLN HA H 1 3.604 0.030 . 1 . . . . 70 GLN HA . 10033 1 823 . 1 1 70 70 GLN HB2 H 1 1.766 0.030 . 2 . . . . 70 GLN HB2 . 10033 1 824 . 1 1 70 70 GLN HB3 H 1 2.231 0.030 . 2 . . . . 70 GLN HB3 . 10033 1 825 . 1 1 70 70 GLN HG2 H 1 2.211 0.030 . 1 . . . . 70 GLN HG2 . 10033 1 826 . 1 1 70 70 GLN HG3 H 1 2.211 0.030 . 1 . . . . 70 GLN HG3 . 10033 1 827 . 1 1 70 70 GLN HE21 H 1 6.825 0.030 . 2 . . . . 70 GLN HE21 . 10033 1 828 . 1 1 70 70 GLN HE22 H 1 6.981 0.030 . 2 . . . . 70 GLN HE22 . 10033 1 829 . 1 1 70 70 GLN C C 13 177.547 0.300 . 1 . . . . 70 GLN C . 10033 1 830 . 1 1 70 70 GLN CA C 13 58.739 0.300 . 1 . . . . 70 GLN CA . 10033 1 831 . 1 1 70 70 GLN CB C 13 28.307 0.300 . 1 . . . . 70 GLN CB . 10033 1 832 . 1 1 70 70 GLN CG C 13 34.378 0.300 . 1 . . . . 70 GLN CG . 10033 1 833 . 1 1 70 70 GLN N N 15 118.538 0.300 . 1 . . . . 70 GLN N . 10033 1 834 . 1 1 70 70 GLN NE2 N 15 110.889 0.300 . 1 . . . . 70 GLN NE2 . 10033 1 835 . 1 1 71 71 ALA H H 1 8.285 0.030 . 1 . . . . 71 ALA H . 10033 1 836 . 1 1 71 71 ALA HA H 1 3.282 0.030 . 1 . . . . 71 ALA HA . 10033 1 837 . 1 1 71 71 ALA HB1 H 1 1.777 0.030 . 1 . . . . 71 ALA HB . 10033 1 838 . 1 1 71 71 ALA HB2 H 1 1.777 0.030 . 1 . . . . 71 ALA HB . 10033 1 839 . 1 1 71 71 ALA HB3 H 1 1.777 0.030 . 1 . . . . 71 ALA HB . 10033 1 840 . 1 1 71 71 ALA C C 13 179.416 0.300 . 1 . . . . 71 ALA C . 10033 1 841 . 1 1 71 71 ALA CA C 13 54.748 0.300 . 1 . . . . 71 ALA CA . 10033 1 842 . 1 1 71 71 ALA CB C 13 19.377 0.300 . 1 . . . . 71 ALA CB . 10033 1 843 . 1 1 71 71 ALA N N 15 120.896 0.300 . 1 . . . . 71 ALA N . 10033 1 844 . 1 1 72 72 TRP H H 1 8.132 0.030 . 1 . . . . 72 TRP H . 10033 1 845 . 1 1 72 72 TRP HA H 1 4.272 0.030 . 1 . . . . 72 TRP HA . 10033 1 846 . 1 1 72 72 TRP HB2 H 1 2.765 0.030 . 1 . . . . 72 TRP HB2 . 10033 1 847 . 1 1 72 72 TRP HB3 H 1 2.765 0.030 . 1 . . . . 72 TRP HB3 . 10033 1 848 . 1 1 72 72 TRP HD1 H 1 6.451 0.030 . 1 . . . . 72 TRP HD1 . 10033 1 849 . 1 1 72 72 TRP HE1 H 1 9.523 0.030 . 1 . . . . 72 TRP HE1 . 10033 1 850 . 1 1 72 72 TRP HE3 H 1 6.861 0.030 . 1 . . . . 72 TRP HE3 . 10033 1 851 . 1 1 72 72 TRP HZ2 H 1 7.329 0.030 . 1 . . . . 72 TRP HZ2 . 10033 1 852 . 1 1 72 72 TRP HZ3 H 1 6.622 0.030 . 1 . . . . 72 TRP HZ3 . 10033 1 853 . 1 1 72 72 TRP HH2 H 1 6.995 0.030 . 1 . . . . 72 TRP HH2 . 10033 1 854 . 1 1 72 72 TRP C C 13 178.376 0.300 . 1 . . . . 72 TRP C . 10033 1 855 . 1 1 72 72 TRP CA C 13 57.795 0.300 . 1 . . . . 72 TRP CA . 10033 1 856 . 1 1 72 72 TRP CB C 13 31.223 0.300 . 1 . . . . 72 TRP CB . 10033 1 857 . 1 1 72 72 TRP CD1 C 13 126.588 0.300 . 1 . . . . 72 TRP CD1 . 10033 1 858 . 1 1 72 72 TRP CE3 C 13 119.726 0.300 . 1 . . . . 72 TRP CE3 . 10033 1 859 . 1 1 72 72 TRP CZ2 C 13 114.047 0.300 . 1 . . . . 72 TRP CZ2 . 10033 1 860 . 1 1 72 72 TRP CZ3 C 13 120.512 0.300 . 1 . . . . 72 TRP CZ3 . 10033 1 861 . 1 1 72 72 TRP CH2 C 13 122.975 0.300 . 1 . . . . 72 TRP CH2 . 10033 1 862 . 1 1 72 72 TRP N N 15 117.600 0.300 . 1 . . . . 72 TRP N . 10033 1 863 . 1 1 72 72 TRP NE1 N 15 126.423 0.300 . 1 . . . . 72 TRP NE1 . 10033 1 864 . 1 1 73 73 LYS H H 1 7.826 0.030 . 1 . . . . 73 LYS H . 10033 1 865 . 1 1 73 73 LYS HA H 1 3.493 0.030 . 1 . . . . 73 LYS HA . 10033 1 866 . 1 1 73 73 LYS HB2 H 1 1.587 0.030 . 2 . . . . 73 LYS HB2 . 10033 1 867 . 1 1 73 73 LYS HB3 H 1 1.680 0.030 . 2 . . . . 73 LYS HB3 . 10033 1 868 . 1 1 73 73 LYS HG2 H 1 1.236 0.030 . 2 . . . . 73 LYS HG2 . 10033 1 869 . 1 1 73 73 LYS HG3 H 1 1.432 0.030 . 2 . . . . 73 LYS HG3 . 10033 1 870 . 1 1 73 73 LYS HD2 H 1 1.440 0.030 . 2 . . . . 73 LYS HD2 . 10033 1 871 . 1 1 73 73 LYS HD3 H 1 1.511 0.030 . 2 . . . . 73 LYS HD3 . 10033 1 872 . 1 1 73 73 LYS HE2 H 1 2.888 0.030 . 1 . . . . 73 LYS HE2 . 10033 1 873 . 1 1 73 73 LYS HE3 H 1 2.888 0.030 . 1 . . . . 73 LYS HE3 . 10033 1 874 . 1 1 73 73 LYS C C 13 177.696 0.300 . 1 . . . . 73 LYS C . 10033 1 875 . 1 1 73 73 LYS CA C 13 59.126 0.300 . 1 . . . . 73 LYS CA . 10033 1 876 . 1 1 73 73 LYS CB C 13 31.872 0.300 . 1 . . . . 73 LYS CB . 10033 1 877 . 1 1 73 73 LYS CG C 13 25.994 0.300 . 1 . . . . 73 LYS CG . 10033 1 878 . 1 1 73 73 LYS CD C 13 28.919 0.300 . 1 . . . . 73 LYS CD . 10033 1 879 . 1 1 73 73 LYS CE C 13 42.117 0.300 . 1 . . . . 73 LYS CE . 10033 1 880 . 1 1 73 73 LYS N N 15 121.074 0.300 . 1 . . . . 73 LYS N . 10033 1 881 . 1 1 74 74 ILE H H 1 6.641 0.030 . 1 . . . . 74 ILE H . 10033 1 882 . 1 1 74 74 ILE HA H 1 3.603 0.030 . 1 . . . . 74 ILE HA . 10033 1 883 . 1 1 74 74 ILE HB H 1 0.902 0.030 . 1 . . . . 74 ILE HB . 10033 1 884 . 1 1 74 74 ILE HG12 H 1 0.661 0.030 . 2 . . . . 74 ILE HG12 . 10033 1 885 . 1 1 74 74 ILE HG13 H 1 0.740 0.030 . 2 . . . . 74 ILE HG13 . 10033 1 886 . 1 1 74 74 ILE HG21 H 1 0.276 0.030 . 1 . . . . 74 ILE HG2 . 10033 1 887 . 1 1 74 74 ILE HG22 H 1 0.276 0.030 . 1 . . . . 74 ILE HG2 . 10033 1 888 . 1 1 74 74 ILE HG23 H 1 0.276 0.030 . 1 . . . . 74 ILE HG2 . 10033 1 889 . 1 1 74 74 ILE HD11 H 1 0.156 0.030 . 1 . . . . 74 ILE HD1 . 10033 1 890 . 1 1 74 74 ILE HD12 H 1 0.156 0.030 . 1 . . . . 74 ILE HD1 . 10033 1 891 . 1 1 74 74 ILE HD13 H 1 0.156 0.030 . 1 . . . . 74 ILE HD1 . 10033 1 892 . 1 1 74 74 ILE C C 13 177.140 0.300 . 1 . . . . 74 ILE C . 10033 1 893 . 1 1 74 74 ILE CA C 13 61.503 0.300 . 1 . . . . 74 ILE CA . 10033 1 894 . 1 1 74 74 ILE CB C 13 36.846 0.300 . 1 . . . . 74 ILE CB . 10033 1 895 . 1 1 74 74 ILE CG1 C 13 26.758 0.300 . 1 . . . . 74 ILE CG1 . 10033 1 896 . 1 1 74 74 ILE CG2 C 13 16.582 0.300 . 1 . . . . 74 ILE CG2 . 10033 1 897 . 1 1 74 74 ILE CD1 C 13 10.105 0.300 . 1 . . . . 74 ILE CD1 . 10033 1 898 . 1 1 74 74 ILE N N 15 115.892 0.300 . 1 . . . . 74 ILE N . 10033 1 899 . 1 1 75 75 LEU H H 1 8.084 0.030 . 1 . . . . 75 LEU H . 10033 1 900 . 1 1 75 75 LEU HA H 1 3.659 0.030 . 1 . . . . 75 LEU HA . 10033 1 901 . 1 1 75 75 LEU HB2 H 1 1.137 0.030 . 2 . . . . 75 LEU HB2 . 10033 1 902 . 1 1 75 75 LEU HB3 H 1 1.376 0.030 . 2 . . . . 75 LEU HB3 . 10033 1 903 . 1 1 75 75 LEU HG H 1 1.346 0.030 . 1 . . . . 75 LEU HG . 10033 1 904 . 1 1 75 75 LEU HD11 H 1 0.229 0.030 . 1 . . . . 75 LEU HD1 . 10033 1 905 . 1 1 75 75 LEU HD12 H 1 0.229 0.030 . 1 . . . . 75 LEU HD1 . 10033 1 906 . 1 1 75 75 LEU HD13 H 1 0.229 0.030 . 1 . . . . 75 LEU HD1 . 10033 1 907 . 1 1 75 75 LEU HD21 H 1 0.438 0.030 . 1 . . . . 75 LEU HD2 . 10033 1 908 . 1 1 75 75 LEU HD22 H 1 0.438 0.030 . 1 . . . . 75 LEU HD2 . 10033 1 909 . 1 1 75 75 LEU HD23 H 1 0.438 0.030 . 1 . . . . 75 LEU HD2 . 10033 1 910 . 1 1 75 75 LEU C C 13 175.516 0.300 . 1 . . . . 75 LEU C . 10033 1 911 . 1 1 75 75 LEU CA C 13 56.064 0.300 . 1 . . . . 75 LEU CA . 10033 1 912 . 1 1 75 75 LEU CB C 13 42.132 0.300 . 1 . . . . 75 LEU CB . 10033 1 913 . 1 1 75 75 LEU CG C 13 25.797 0.300 . 1 . . . . 75 LEU CG . 10033 1 914 . 1 1 75 75 LEU CD1 C 13 25.445 0.300 . 2 . . . . 75 LEU CD1 . 10033 1 915 . 1 1 75 75 LEU CD2 C 13 22.882 0.300 . 2 . . . . 75 LEU CD2 . 10033 1 916 . 1 1 75 75 LEU N N 15 114.823 0.300 . 1 . . . . 75 LEU N . 10033 1 917 . 1 1 76 76 GLY H H 1 7.340 0.030 . 1 . . . . 76 GLY H . 10033 1 918 . 1 1 76 76 GLY HA2 H 1 1.226 0.030 . 2 . . . . 76 GLY HA2 . 10033 1 919 . 1 1 76 76 GLY HA3 H 1 2.785 0.030 . 2 . . . . 76 GLY HA3 . 10033 1 920 . 1 1 76 76 GLY C C 13 173.081 0.300 . 1 . . . . 76 GLY C . 10033 1 921 . 1 1 76 76 GLY CA C 13 43.696 0.300 . 1 . . . . 76 GLY CA . 10033 1 922 . 1 1 76 76 GLY N N 15 123.498 0.300 . 1 . . . . 76 GLY N . 10033 1 923 . 1 1 77 77 ASN H H 1 6.311 0.030 . 1 . . . . 77 ASN H . 10033 1 924 . 1 1 77 77 ASN HA H 1 4.667 0.030 . 1 . . . . 77 ASN HA . 10033 1 925 . 1 1 77 77 ASN HB2 H 1 2.497 0.030 . 2 . . . . 77 ASN HB2 . 10033 1 926 . 1 1 77 77 ASN HB3 H 1 2.917 0.030 . 2 . . . . 77 ASN HB3 . 10033 1 927 . 1 1 77 77 ASN HD21 H 1 6.999 0.030 . 2 . . . . 77 ASN HD21 . 10033 1 928 . 1 1 77 77 ASN HD22 H 1 7.551 0.030 . 2 . . . . 77 ASN HD22 . 10033 1 929 . 1 1 77 77 ASN C C 13 174.119 0.300 . 1 . . . . 77 ASN C . 10033 1 930 . 1 1 77 77 ASN CA C 13 51.303 0.300 . 1 . . . . 77 ASN CA . 10033 1 931 . 1 1 77 77 ASN CB C 13 40.804 0.300 . 1 . . . . 77 ASN CB . 10033 1 932 . 1 1 77 77 ASN N N 15 117.840 0.300 . 1 . . . . 77 ASN N . 10033 1 933 . 1 1 77 77 ASN ND2 N 15 114.097 0.300 . 1 . . . . 77 ASN ND2 . 10033 1 934 . 1 1 78 78 GLU H H 1 9.034 0.030 . 1 . . . . 78 GLU H . 10033 1 935 . 1 1 78 78 GLU HA H 1 3.836 0.030 . 1 . . . . 78 GLU HA . 10033 1 936 . 1 1 78 78 GLU HB2 H 1 2.032 0.030 . 1 . . . . 78 GLU HB2 . 10033 1 937 . 1 1 78 78 GLU HB3 H 1 2.032 0.030 . 1 . . . . 78 GLU HB3 . 10033 1 938 . 1 1 78 78 GLU HG2 H 1 2.313 0.030 . 2 . . . . 78 GLU HG2 . 10033 1 939 . 1 1 78 78 GLU HG3 H 1 2.361 0.030 . 2 . . . . 78 GLU HG3 . 10033 1 940 . 1 1 78 78 GLU C C 13 178.214 0.300 . 1 . . . . 78 GLU C . 10033 1 941 . 1 1 78 78 GLU CA C 13 60.430 0.300 . 1 . . . . 78 GLU CA . 10033 1 942 . 1 1 78 78 GLU CB C 13 29.811 0.300 . 1 . . . . 78 GLU CB . 10033 1 943 . 1 1 78 78 GLU CG C 13 36.483 0.300 . 1 . . . . 78 GLU CG . 10033 1 944 . 1 1 78 78 GLU N N 15 125.067 0.300 . 1 . . . . 78 GLU N . 10033 1 945 . 1 1 79 79 GLU H H 1 8.244 0.030 . 1 . . . . 79 GLU H . 10033 1 946 . 1 1 79 79 GLU HA H 1 4.132 0.030 . 1 . . . . 79 GLU HA . 10033 1 947 . 1 1 79 79 GLU HB2 H 1 2.069 0.030 . 2 . . . . 79 GLU HB2 . 10033 1 948 . 1 1 79 79 GLU HB3 H 1 2.140 0.030 . 2 . . . . 79 GLU HB3 . 10033 1 949 . 1 1 79 79 GLU HG2 H 1 2.250 0.030 . 2 . . . . 79 GLU HG2 . 10033 1 950 . 1 1 79 79 GLU HG3 H 1 2.349 0.030 . 2 . . . . 79 GLU HG3 . 10033 1 951 . 1 1 79 79 GLU C C 13 179.633 0.300 . 1 . . . . 79 GLU C . 10033 1 952 . 1 1 79 79 GLU CA C 13 59.570 0.300 . 1 . . . . 79 GLU CA . 10033 1 953 . 1 1 79 79 GLU CB C 13 29.549 0.300 . 1 . . . . 79 GLU CB . 10033 1 954 . 1 1 79 79 GLU CG C 13 36.400 0.300 . 1 . . . . 79 GLU CG . 10033 1 955 . 1 1 79 79 GLU N N 15 117.486 0.300 . 1 . . . . 79 GLU N . 10033 1 956 . 1 1 80 80 THR H H 1 7.745 0.030 . 1 . . . . 80 THR H . 10033 1 957 . 1 1 80 80 THR HA H 1 4.031 0.030 . 1 . . . . 80 THR HA . 10033 1 958 . 1 1 80 80 THR HB H 1 4.274 0.030 . 1 . . . . 80 THR HB . 10033 1 959 . 1 1 80 80 THR HG21 H 1 1.201 0.030 . 1 . . . . 80 THR HG2 . 10033 1 960 . 1 1 80 80 THR HG22 H 1 1.201 0.030 . 1 . . . . 80 THR HG2 . 10033 1 961 . 1 1 80 80 THR HG23 H 1 1.201 0.030 . 1 . . . . 80 THR HG2 . 10033 1 962 . 1 1 80 80 THR C C 13 177.736 0.300 . 1 . . . . 80 THR C . 10033 1 963 . 1 1 80 80 THR CA C 13 65.022 0.300 . 1 . . . . 80 THR CA . 10033 1 964 . 1 1 80 80 THR CB C 13 67.354 0.300 . 1 . . . . 80 THR CB . 10033 1 965 . 1 1 80 80 THR CG2 C 13 22.982 0.300 . 1 . . . . 80 THR CG2 . 10033 1 966 . 1 1 80 80 THR N N 15 111.842 0.300 . 1 . . . . 80 THR N . 10033 1 967 . 1 1 81 81 LYS H H 1 8.886 0.030 . 1 . . . . 81 LYS H . 10033 1 968 . 1 1 81 81 LYS HA H 1 3.781 0.030 . 1 . . . . 81 LYS HA . 10033 1 969 . 1 1 81 81 LYS HB2 H 1 1.701 0.030 . 2 . . . . 81 LYS HB2 . 10033 1 970 . 1 1 81 81 LYS HB3 H 1 2.123 0.030 . 2 . . . . 81 LYS HB3 . 10033 1 971 . 1 1 81 81 LYS HG2 H 1 1.307 0.030 . 2 . . . . 81 LYS HG2 . 10033 1 972 . 1 1 81 81 LYS HG3 H 1 1.643 0.030 . 2 . . . . 81 LYS HG3 . 10033 1 973 . 1 1 81 81 LYS HD2 H 1 1.648 0.030 . 2 . . . . 81 LYS HD2 . 10033 1 974 . 1 1 81 81 LYS HD3 H 1 2.248 0.030 . 2 . . . . 81 LYS HD3 . 10033 1 975 . 1 1 81 81 LYS HE2 H 1 3.179 0.030 . 2 . . . . 81 LYS HE2 . 10033 1 976 . 1 1 81 81 LYS HE3 H 1 3.400 0.030 . 2 . . . . 81 LYS HE3 . 10033 1 977 . 1 1 81 81 LYS C C 13 177.763 0.300 . 1 . . . . 81 LYS C . 10033 1 978 . 1 1 81 81 LYS CA C 13 60.872 0.300 . 1 . . . . 81 LYS CA . 10033 1 979 . 1 1 81 81 LYS CB C 13 32.867 0.300 . 1 . . . . 81 LYS CB . 10033 1 980 . 1 1 81 81 LYS CG C 13 25.360 0.300 . 1 . . . . 81 LYS CG . 10033 1 981 . 1 1 81 81 LYS CD C 13 29.036 0.300 . 1 . . . . 81 LYS CD . 10033 1 982 . 1 1 81 81 LYS CE C 13 43.145 0.300 . 1 . . . . 81 LYS CE . 10033 1 983 . 1 1 81 81 LYS N N 15 127.366 0.300 . 1 . . . . 81 LYS N . 10033 1 984 . 1 1 82 82 LYS H H 1 7.861 0.030 . 1 . . . . 82 LYS H . 10033 1 985 . 1 1 82 82 LYS HA H 1 4.215 0.030 . 1 . . . . 82 LYS HA . 10033 1 986 . 1 1 82 82 LYS HB2 H 1 1.935 0.030 . 2 . . . . 82 LYS HB2 . 10033 1 987 . 1 1 82 82 LYS HB3 H 1 1.998 0.030 . 2 . . . . 82 LYS HB3 . 10033 1 988 . 1 1 82 82 LYS HG2 H 1 1.512 0.030 . 2 . . . . 82 LYS HG2 . 10033 1 989 . 1 1 82 82 LYS HG3 H 1 1.665 0.030 . 2 . . . . 82 LYS HG3 . 10033 1 990 . 1 1 82 82 LYS HD2 H 1 1.757 0.030 . 1 . . . . 82 LYS HD2 . 10033 1 991 . 1 1 82 82 LYS HD3 H 1 1.757 0.030 . 1 . . . . 82 LYS HD3 . 10033 1 992 . 1 1 82 82 LYS HE2 H 1 2.993 0.030 . 1 . . . . 82 LYS HE2 . 10033 1 993 . 1 1 82 82 LYS HE3 H 1 2.993 0.030 . 1 . . . . 82 LYS HE3 . 10033 1 994 . 1 1 82 82 LYS C C 13 179.353 0.300 . 1 . . . . 82 LYS C . 10033 1 995 . 1 1 82 82 LYS CA C 13 59.567 0.300 . 1 . . . . 82 LYS CA . 10033 1 996 . 1 1 82 82 LYS CB C 13 32.305 0.300 . 1 . . . . 82 LYS CB . 10033 1 997 . 1 1 82 82 LYS CG C 13 25.164 0.300 . 1 . . . . 82 LYS CG . 10033 1 998 . 1 1 82 82 LYS CD C 13 29.394 0.300 . 1 . . . . 82 LYS CD . 10033 1 999 . 1 1 82 82 LYS CE C 13 42.171 0.300 . 1 . . . . 82 LYS CE . 10033 1 1000 . 1 1 82 82 LYS N N 15 117.253 0.300 . 1 . . . . 82 LYS N . 10033 1 1001 . 1 1 83 83 LYS H H 1 7.269 0.030 . 1 . . . . 83 LYS H . 10033 1 1002 . 1 1 83 83 LYS HA H 1 4.052 0.030 . 1 . . . . 83 LYS HA . 10033 1 1003 . 1 1 83 83 LYS HB2 H 1 1.942 0.030 . 1 . . . . 83 LYS HB2 . 10033 1 1004 . 1 1 83 83 LYS HB3 H 1 1.942 0.030 . 1 . . . . 83 LYS HB3 . 10033 1 1005 . 1 1 83 83 LYS HG2 H 1 1.482 0.030 . 2 . . . . 83 LYS HG2 . 10033 1 1006 . 1 1 83 83 LYS HG3 H 1 1.662 0.030 . 2 . . . . 83 LYS HG3 . 10033 1 1007 . 1 1 83 83 LYS HD2 H 1 1.706 0.030 . 1 . . . . 83 LYS HD2 . 10033 1 1008 . 1 1 83 83 LYS HD3 H 1 1.706 0.030 . 1 . . . . 83 LYS HD3 . 10033 1 1009 . 1 1 83 83 LYS HE2 H 1 2.996 0.030 . 1 . . . . 83 LYS HE2 . 10033 1 1010 . 1 1 83 83 LYS HE3 H 1 2.996 0.030 . 1 . . . . 83 LYS HE3 . 10033 1 1011 . 1 1 83 83 LYS C C 13 178.799 0.300 . 1 . . . . 83 LYS C . 10033 1 1012 . 1 1 83 83 LYS CA C 13 59.567 0.300 . 1 . . . . 83 LYS CA . 10033 1 1013 . 1 1 83 83 LYS CB C 13 32.641 0.300 . 1 . . . . 83 LYS CB . 10033 1 1014 . 1 1 83 83 LYS CG C 13 25.379 0.300 . 1 . . . . 83 LYS CG . 10033 1 1015 . 1 1 83 83 LYS CD C 13 29.476 0.300 . 1 . . . . 83 LYS CD . 10033 1 1016 . 1 1 83 83 LYS CE C 13 42.171 0.300 . 1 . . . . 83 LYS CE . 10033 1 1017 . 1 1 83 83 LYS N N 15 117.434 0.300 . 1 . . . . 83 LYS N . 10033 1 1018 . 1 1 84 84 TYR H H 1 8.198 0.030 . 1 . . . . 84 TYR H . 10033 1 1019 . 1 1 84 84 TYR HA H 1 4.404 0.030 . 1 . . . . 84 TYR HA . 10033 1 1020 . 1 1 84 84 TYR HB2 H 1 3.114 0.030 . 2 . . . . 84 TYR HB2 . 10033 1 1021 . 1 1 84 84 TYR HB3 H 1 3.179 0.030 . 2 . . . . 84 TYR HB3 . 10033 1 1022 . 1 1 84 84 TYR HD1 H 1 7.378 0.030 . 1 . . . . 84 TYR HD1 . 10033 1 1023 . 1 1 84 84 TYR HD2 H 1 7.378 0.030 . 1 . . . . 84 TYR HD2 . 10033 1 1024 . 1 1 84 84 TYR HE1 H 1 7.119 0.030 . 1 . . . . 84 TYR HE1 . 10033 1 1025 . 1 1 84 84 TYR HE2 H 1 7.119 0.030 . 1 . . . . 84 TYR HE2 . 10033 1 1026 . 1 1 84 84 TYR C C 13 177.598 0.300 . 1 . . . . 84 TYR C . 10033 1 1027 . 1 1 84 84 TYR CA C 13 61.291 0.300 . 1 . . . . 84 TYR CA . 10033 1 1028 . 1 1 84 84 TYR CB C 13 38.490 0.300 . 1 . . . . 84 TYR CB . 10033 1 1029 . 1 1 84 84 TYR CD1 C 13 133.828 0.300 . 1 . . . . 84 TYR CD1 . 10033 1 1030 . 1 1 84 84 TYR CD2 C 13 133.828 0.300 . 1 . . . . 84 TYR CD2 . 10033 1 1031 . 1 1 84 84 TYR CE1 C 13 118.600 0.300 . 1 . . . . 84 TYR CE1 . 10033 1 1032 . 1 1 84 84 TYR CE2 C 13 118.600 0.300 . 1 . . . . 84 TYR CE2 . 10033 1 1033 . 1 1 84 84 TYR N N 15 121.603 0.300 . 1 . . . . 84 TYR N . 10033 1 1034 . 1 1 85 85 ASP H H 1 9.268 0.030 . 1 . . . . 85 ASP H . 10033 1 1035 . 1 1 85 85 ASP HA H 1 4.338 0.030 . 1 . . . . 85 ASP HA . 10033 1 1036 . 1 1 85 85 ASP HB2 H 1 2.663 0.030 . 2 . . . . 85 ASP HB2 . 10033 1 1037 . 1 1 85 85 ASP HB3 H 1 2.796 0.030 . 2 . . . . 85 ASP HB3 . 10033 1 1038 . 1 1 85 85 ASP C C 13 179.532 0.300 . 1 . . . . 85 ASP C . 10033 1 1039 . 1 1 85 85 ASP CA C 13 57.447 0.300 . 1 . . . . 85 ASP CA . 10033 1 1040 . 1 1 85 85 ASP CB C 13 39.912 0.300 . 1 . . . . 85 ASP CB . 10033 1 1041 . 1 1 85 85 ASP N N 15 120.447 0.300 . 1 . . . . 85 ASP N . 10033 1 1042 . 1 1 86 86 LEU H H 1 7.939 0.030 . 1 . . . . 86 LEU H . 10033 1 1043 . 1 1 86 86 LEU HA H 1 4.202 0.030 . 1 . . . . 86 LEU HA . 10033 1 1044 . 1 1 86 86 LEU HB2 H 1 1.655 0.030 . 2 . . . . 86 LEU HB2 . 10033 1 1045 . 1 1 86 86 LEU HB3 H 1 1.877 0.030 . 2 . . . . 86 LEU HB3 . 10033 1 1046 . 1 1 86 86 LEU HG H 1 1.799 0.030 . 1 . . . . 86 LEU HG . 10033 1 1047 . 1 1 86 86 LEU HD11 H 1 0.929 0.030 . 1 . . . . 86 LEU HD1 . 10033 1 1048 . 1 1 86 86 LEU HD12 H 1 0.929 0.030 . 1 . . . . 86 LEU HD1 . 10033 1 1049 . 1 1 86 86 LEU HD13 H 1 0.929 0.030 . 1 . . . . 86 LEU HD1 . 10033 1 1050 . 1 1 86 86 LEU HD21 H 1 0.920 0.030 . 1 . . . . 86 LEU HD2 . 10033 1 1051 . 1 1 86 86 LEU HD22 H 1 0.920 0.030 . 1 . . . . 86 LEU HD2 . 10033 1 1052 . 1 1 86 86 LEU HD23 H 1 0.920 0.030 . 1 . . . . 86 LEU HD2 . 10033 1 1053 . 1 1 86 86 LEU C C 13 179.493 0.300 . 1 . . . . 86 LEU C . 10033 1 1054 . 1 1 86 86 LEU CA C 13 57.456 0.300 . 1 . . . . 86 LEU CA . 10033 1 1055 . 1 1 86 86 LEU CB C 13 42.263 0.300 . 1 . . . . 86 LEU CB . 10033 1 1056 . 1 1 86 86 LEU CG C 13 27.086 0.300 . 1 . . . . 86 LEU CG . 10033 1 1057 . 1 1 86 86 LEU CD1 C 13 24.902 0.300 . 2 . . . . 86 LEU CD1 . 10033 1 1058 . 1 1 86 86 LEU CD2 C 13 23.766 0.300 . 2 . . . . 86 LEU CD2 . 10033 1 1059 . 1 1 86 86 LEU N N 15 120.253 0.300 . 1 . . . . 86 LEU N . 10033 1 1060 . 1 1 87 87 GLN H H 1 7.780 0.030 . 1 . . . . 87 GLN H . 10033 1 1061 . 1 1 87 87 GLN HA H 1 4.213 0.030 . 1 . . . . 87 GLN HA . 10033 1 1062 . 1 1 87 87 GLN HB2 H 1 2.180 0.030 . 2 . . . . 87 GLN HB2 . 10033 1 1063 . 1 1 87 87 GLN HB3 H 1 2.281 0.030 . 2 . . . . 87 GLN HB3 . 10033 1 1064 . 1 1 87 87 GLN HG2 H 1 2.414 0.030 . 2 . . . . 87 GLN HG2 . 10033 1 1065 . 1 1 87 87 GLN HG3 H 1 2.622 0.030 . 2 . . . . 87 GLN HG3 . 10033 1 1066 . 1 1 87 87 GLN HE21 H 1 6.914 0.030 . 2 . . . . 87 GLN HE21 . 10033 1 1067 . 1 1 87 87 GLN HE22 H 1 7.504 0.030 . 2 . . . . 87 GLN HE22 . 10033 1 1068 . 1 1 87 87 GLN C C 13 177.745 0.300 . 1 . . . . 87 GLN C . 10033 1 1069 . 1 1 87 87 GLN CA C 13 57.488 0.300 . 1 . . . . 87 GLN CA . 10033 1 1070 . 1 1 87 87 GLN CB C 13 28.853 0.300 . 1 . . . . 87 GLN CB . 10033 1 1071 . 1 1 87 87 GLN CG C 13 34.092 0.300 . 1 . . . . 87 GLN CG . 10033 1 1072 . 1 1 87 87 GLN N N 15 118.548 0.300 . 1 . . . . 87 GLN N . 10033 1 1073 . 1 1 87 87 GLN NE2 N 15 111.855 0.300 . 1 . . . . 87 GLN NE2 . 10033 1 1074 . 1 1 88 88 ARG H H 1 7.942 0.030 . 1 . . . . 88 ARG H . 10033 1 1075 . 1 1 88 88 ARG HA H 1 4.128 0.030 . 1 . . . . 88 ARG HA . 10033 1 1076 . 1 1 88 88 ARG HB2 H 1 1.704 0.030 . 1 . . . . 88 ARG HB2 . 10033 1 1077 . 1 1 88 88 ARG HB3 H 1 1.704 0.030 . 1 . . . . 88 ARG HB3 . 10033 1 1078 . 1 1 88 88 ARG HG2 H 1 1.482 0.030 . 2 . . . . 88 ARG HG2 . 10033 1 1079 . 1 1 88 88 ARG HG3 H 1 1.554 0.030 . 2 . . . . 88 ARG HG3 . 10033 1 1080 . 1 1 88 88 ARG HD2 H 1 3.171 0.030 . 1 . . . . 88 ARG HD2 . 10033 1 1081 . 1 1 88 88 ARG HD3 H 1 3.171 0.030 . 1 . . . . 88 ARG HD3 . 10033 1 1082 . 1 1 88 88 ARG C C 13 176.910 0.300 . 1 . . . . 88 ARG C . 10033 1 1083 . 1 1 88 88 ARG CA C 13 57.350 0.300 . 1 . . . . 88 ARG CA . 10033 1 1084 . 1 1 88 88 ARG CB C 13 30.164 0.300 . 1 . . . . 88 ARG CB . 10033 1 1085 . 1 1 88 88 ARG CG C 13 26.969 0.300 . 1 . . . . 88 ARG CG . 10033 1 1086 . 1 1 88 88 ARG CD C 13 43.407 0.300 . 1 . . . . 88 ARG CD . 10033 1 1087 . 1 1 88 88 ARG N N 15 118.928 0.300 . 1 . . . . 88 ARG N . 10033 1 1088 . 1 1 89 89 SER H H 1 7.852 0.030 . 1 . . . . 89 SER H . 10033 1 1089 . 1 1 89 89 SER HA H 1 4.490 0.030 . 1 . . . . 89 SER HA . 10033 1 1090 . 1 1 89 89 SER HB2 H 1 3.925 0.030 . 1 . . . . 89 SER HB2 . 10033 1 1091 . 1 1 89 89 SER HB3 H 1 3.925 0.030 . 1 . . . . 89 SER HB3 . 10033 1 1092 . 1 1 89 89 SER C C 13 174.603 0.300 . 1 . . . . 89 SER C . 10033 1 1093 . 1 1 89 89 SER CA C 13 58.814 0.300 . 1 . . . . 89 SER CA . 10033 1 1094 . 1 1 89 89 SER CB C 13 64.033 0.300 . 1 . . . . 89 SER CB . 10033 1 1095 . 1 1 89 89 SER N N 15 114.548 0.300 . 1 . . . . 89 SER N . 10033 1 1096 . 1 1 90 90 GLY H H 1 7.926 0.030 . 1 . . . . 90 GLY H . 10033 1 1097 . 1 1 90 90 GLY HA2 H 1 4.109 0.030 . 2 . . . . 90 GLY HA2 . 10033 1 1098 . 1 1 90 90 GLY HA3 H 1 4.199 0.030 . 2 . . . . 90 GLY HA3 . 10033 1 1099 . 1 1 90 90 GLY C C 13 171.781 0.300 . 1 . . . . 90 GLY C . 10033 1 1100 . 1 1 90 90 GLY CA C 13 44.880 0.300 . 1 . . . . 90 GLY CA . 10033 1 1101 . 1 1 90 90 GLY N N 15 110.239 0.300 . 1 . . . . 90 GLY N . 10033 1 1102 . 1 1 91 91 PRO HA H 1 4.490 0.030 . 1 . . . . 91 PRO HA . 10033 1 1103 . 1 1 91 91 PRO HB2 H 1 1.976 0.030 . 2 . . . . 91 PRO HB2 . 10033 1 1104 . 1 1 91 91 PRO HB3 H 1 2.308 0.030 . 2 . . . . 91 PRO HB3 . 10033 1 1105 . 1 1 91 91 PRO HG2 H 1 2.022 0.030 . 1 . . . . 91 PRO HG2 . 10033 1 1106 . 1 1 91 91 PRO HG3 H 1 2.022 0.030 . 1 . . . . 91 PRO HG3 . 10033 1 1107 . 1 1 91 91 PRO HD2 H 1 3.653 0.030 . 1 . . . . 91 PRO HD2 . 10033 1 1108 . 1 1 91 91 PRO HD3 H 1 3.653 0.030 . 1 . . . . 91 PRO HD3 . 10033 1 1109 . 1 1 91 91 PRO C C 13 177.491 0.300 . 1 . . . . 91 PRO C . 10033 1 1110 . 1 1 91 91 PRO CA C 13 63.334 0.300 . 1 . . . . 91 PRO CA . 10033 1 1111 . 1 1 91 91 PRO CB C 13 32.114 0.300 . 1 . . . . 91 PRO CB . 10033 1 1112 . 1 1 91 91 PRO CG C 13 27.250 0.300 . 1 . . . . 91 PRO CG . 10033 1 1113 . 1 1 91 91 PRO CD C 13 49.834 0.300 . 1 . . . . 91 PRO CD . 10033 1 1114 . 1 1 92 92 SER H H 1 8.514 0.030 . 1 . . . . 92 SER H . 10033 1 1115 . 1 1 92 92 SER HA H 1 4.490 0.030 . 1 . . . . 92 SER HA . 10033 1 1116 . 1 1 92 92 SER HB2 H 1 3.903 0.030 . 1 . . . . 92 SER HB2 . 10033 1 1117 . 1 1 92 92 SER HB3 H 1 3.903 0.030 . 1 . . . . 92 SER HB3 . 10033 1 1118 . 1 1 92 92 SER C C 13 174.722 0.300 . 1 . . . . 92 SER C . 10033 1 1119 . 1 1 92 92 SER CA C 13 58.282 0.300 . 1 . . . . 92 SER CA . 10033 1 1120 . 1 1 92 92 SER CB C 13 63.887 0.300 . 1 . . . . 92 SER CB . 10033 1 1121 . 1 1 92 92 SER N N 15 116.404 0.300 . 1 . . . . 92 SER N . 10033 1 1122 . 1 1 93 93 SER HA H 1 4.511 0.030 . 1 . . . . 93 SER HA . 10033 1 1123 . 1 1 93 93 SER HB2 H 1 3.923 0.030 . 1 . . . . 93 SER HB2 . 10033 1 1124 . 1 1 93 93 SER HB3 H 1 3.923 0.030 . 1 . . . . 93 SER HB3 . 10033 1 1125 . 1 1 93 93 SER C C 13 173.961 0.300 . 1 . . . . 93 SER C . 10033 1 1126 . 1 1 93 93 SER CA C 13 58.426 0.300 . 1 . . . . 93 SER CA . 10033 1 1127 . 1 1 93 93 SER CB C 13 64.065 0.300 . 1 . . . . 93 SER CB . 10033 1 1128 . 1 1 94 94 GLY H H 1 8.040 0.030 . 1 . . . . 94 GLY H . 10033 1 1129 . 1 1 94 94 GLY C C 13 179.006 0.300 . 1 . . . . 94 GLY C . 10033 1 1130 . 1 1 94 94 GLY CA C 13 46.224 0.300 . 1 . . . . 94 GLY CA . 10033 1 1131 . 1 1 94 94 GLY N N 15 116.844 0.300 . 1 . . . . 94 GLY N . 10033 1 stop_ save_