data_10301 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10301 _Entry.Title ; Solution structures of the SH3 domain of human Crk-like protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-24 _Entry.Accession_date 2008-12-24 _Entry.Last_release_date 2010-01-11 _Entry.Original_release_date 2010-01-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Sato . . . 10301 2 S. Koshiba . . . 10301 3 M. Inoue . . . 10301 4 T. Kigawa . . . 10301 5 S. Yokoyama . . . 10301 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10301 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10301 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 327 10301 '15N chemical shifts' 68 10301 '1H chemical shifts' 520 10301 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 . . 2010-01-11 2008-12-24 original author . 10301 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DBK 'BMRB Entry Tracking System' 10301 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10301 _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 structures of the SH3 domain of human Crk-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 M. Sato . . . 10301 1 2 S. Koshiba . . . 10301 1 3 M. Inoue . . . 10301 1 4 T. Kigawa . . . 10301 1 5 S. Yokoyama . . . 10301 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10301 _Assembly.ID 1 _Assembly.Name 'Crk-like protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SH3 domain' 1 $entity_1 . . yes native no no . . . 10301 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 2DBK . . . . . . 10301 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10301 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 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 ; GSSGSSGPLPSTQNGPVFAK AIQKRVPCAYDKTALALEVG DIVKVTRMNINGQWEGEVNG RKGLFPFTHVKIFDPQNPDE NESGPSSG ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 2BZX . "Atomic Model Of Crkl-Sh3c Monomer" . . . . . 76.14 67 100.00 100.00 1.16e-41 . . . . 10301 1 2 no PDB 2BZY . "Dimeric Of Crkl-Sh3c Domain" . . . . . 76.14 67 100.00 100.00 1.16e-41 . . . . 10301 1 3 no PDB 2DBK . "Solution Structures Of The Sh3 Domain Of Human Crk-Like Protein" . . . . . 100.00 88 100.00 100.00 1.08e-56 . . . . 10301 1 4 no DBJ BAC33406 . "unnamed protein product [Mus musculus]" . . . . . 85.23 303 98.67 100.00 2.18e-45 . . . . 10301 1 5 no DBJ BAC34933 . "unnamed protein product [Mus musculus]" . . . . . 85.23 303 98.67 100.00 2.18e-45 . . . . 10301 1 6 no DBJ BAE37567 . "unnamed protein product [Mus musculus]" . . . . . 85.23 303 98.67 100.00 2.18e-45 . . . . 10301 1 7 no EMBL CAA62220 . "SH2/SH3 adaptor protein [Mus musculus]" . . . . . 85.23 303 98.67 100.00 1.91e-45 . . . . 10301 1 8 no GB AAH85865 . "V-crk sarcoma virus CT10 oncogene homolog (avian)-like [Rattus norvegicus]" . . . . . 85.23 303 98.67 100.00 2.04e-45 . . . . 10301 1 9 no GB AAI31985 . "V-crk sarcoma virus CT10 oncogene homolog (avian)-like [Mus musculus]" . . . . . 85.23 303 98.67 100.00 2.18e-45 . . . . 10301 1 10 no GB AAI31987 . "V-crk sarcoma virus CT10 oncogene homolog (avian)-like [Mus musculus]" . . . . . 85.23 303 98.67 100.00 2.18e-45 . . . . 10301 1 11 no GB EDK97459 . "v-crk sarcoma virus CT10 oncogene homolog (avian)-like [Mus musculus]" . . . . . 85.23 303 98.67 100.00 2.18e-45 . . . . 10301 1 12 no GB EDL77890 . "v-crk sarcoma virus CT10 oncogene homolog (avian)-like [Rattus norvegicus]" . . . . . 85.23 303 98.67 100.00 2.04e-45 . . . . 10301 1 13 no REF NP_001008285 . "crk-like protein [Rattus norvegicus]" . . . . . 85.23 303 98.67 100.00 2.04e-45 . . . . 10301 1 14 no REF NP_031790 . "crk-like protein isoform 1 [Mus musculus]" . . . . . 85.23 303 98.67 100.00 2.18e-45 . . . . 10301 1 15 no REF XP_002719763 . "PREDICTED: crk-like protein [Oryctolagus cuniculus]" . . . . . 85.23 303 98.67 98.67 5.01e-45 . . . . 10301 1 16 no REF XP_002926331 . "PREDICTED: crk-like protein [Ailuropoda melanoleuca]" . . . . . 85.23 303 98.67 98.67 5.23e-45 . . . . 10301 1 17 no REF XP_003133042 . "PREDICTED: crk-like protein [Sus scrofa]" . . . . . 85.23 303 98.67 98.67 6.47e-45 . . . . 10301 1 18 no SP P47941 . "RecName: Full=Crk-like protein" . . . . . 85.23 303 98.67 100.00 2.18e-45 . . . . 10301 1 19 no SP Q5U2U2 . "RecName: Full=Crk-like protein" . . . . . 85.23 303 98.67 100.00 2.04e-45 . . . . 10301 1 20 no TPG DAA20421 . "TPA: v-crk sarcoma virus CT10 oncogene homolog-like [Bos taurus]" . . . . . 85.23 335 97.33 98.67 2.83e-44 . . . . 10301 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 10301 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 . 10301 1 2 . SER . 10301 1 3 . SER . 10301 1 4 . GLY . 10301 1 5 . SER . 10301 1 6 . SER . 10301 1 7 . GLY . 10301 1 8 . PRO . 10301 1 9 . LEU . 10301 1 10 . PRO . 10301 1 11 . SER . 10301 1 12 . THR . 10301 1 13 . GLN . 10301 1 14 . ASN . 10301 1 15 . GLY . 10301 1 16 . PRO . 10301 1 17 . VAL . 10301 1 18 . PHE . 10301 1 19 . ALA . 10301 1 20 . LYS . 10301 1 21 . ALA . 10301 1 22 . ILE . 10301 1 23 . GLN . 10301 1 24 . LYS . 10301 1 25 . ARG . 10301 1 26 . VAL . 10301 1 27 . PRO . 10301 1 28 . CYS . 10301 1 29 . ALA . 10301 1 30 . TYR . 10301 1 31 . ASP . 10301 1 32 . LYS . 10301 1 33 . THR . 10301 1 34 . ALA . 10301 1 35 . LEU . 10301 1 36 . ALA . 10301 1 37 . LEU . 10301 1 38 . GLU . 10301 1 39 . VAL . 10301 1 40 . GLY . 10301 1 41 . ASP . 10301 1 42 . ILE . 10301 1 43 . VAL . 10301 1 44 . LYS . 10301 1 45 . VAL . 10301 1 46 . THR . 10301 1 47 . ARG . 10301 1 48 . MET . 10301 1 49 . ASN . 10301 1 50 . ILE . 10301 1 51 . ASN . 10301 1 52 . GLY . 10301 1 53 . GLN . 10301 1 54 . TRP . 10301 1 55 . GLU . 10301 1 56 . GLY . 10301 1 57 . GLU . 10301 1 58 . VAL . 10301 1 59 . ASN . 10301 1 60 . GLY . 10301 1 61 . ARG . 10301 1 62 . LYS . 10301 1 63 . GLY . 10301 1 64 . LEU . 10301 1 65 . PHE . 10301 1 66 . PRO . 10301 1 67 . PHE . 10301 1 68 . THR . 10301 1 69 . HIS . 10301 1 70 . VAL . 10301 1 71 . LYS . 10301 1 72 . ILE . 10301 1 73 . PHE . 10301 1 74 . ASP . 10301 1 75 . PRO . 10301 1 76 . GLN . 10301 1 77 . ASN . 10301 1 78 . PRO . 10301 1 79 . ASP . 10301 1 80 . GLU . 10301 1 81 . ASN . 10301 1 82 . GLU . 10301 1 83 . SER . 10301 1 84 . GLY . 10301 1 85 . PRO . 10301 1 86 . SER . 10301 1 87 . SER . 10301 1 88 . GLY . 10301 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 10301 1 . SER 2 2 10301 1 . SER 3 3 10301 1 . GLY 4 4 10301 1 . SER 5 5 10301 1 . SER 6 6 10301 1 . GLY 7 7 10301 1 . PRO 8 8 10301 1 . LEU 9 9 10301 1 . PRO 10 10 10301 1 . SER 11 11 10301 1 . THR 12 12 10301 1 . GLN 13 13 10301 1 . ASN 14 14 10301 1 . GLY 15 15 10301 1 . PRO 16 16 10301 1 . VAL 17 17 10301 1 . PHE 18 18 10301 1 . ALA 19 19 10301 1 . LYS 20 20 10301 1 . ALA 21 21 10301 1 . ILE 22 22 10301 1 . GLN 23 23 10301 1 . LYS 24 24 10301 1 . ARG 25 25 10301 1 . VAL 26 26 10301 1 . PRO 27 27 10301 1 . CYS 28 28 10301 1 . ALA 29 29 10301 1 . TYR 30 30 10301 1 . ASP 31 31 10301 1 . LYS 32 32 10301 1 . THR 33 33 10301 1 . ALA 34 34 10301 1 . LEU 35 35 10301 1 . ALA 36 36 10301 1 . LEU 37 37 10301 1 . GLU 38 38 10301 1 . VAL 39 39 10301 1 . GLY 40 40 10301 1 . ASP 41 41 10301 1 . ILE 42 42 10301 1 . VAL 43 43 10301 1 . LYS 44 44 10301 1 . VAL 45 45 10301 1 . THR 46 46 10301 1 . ARG 47 47 10301 1 . MET 48 48 10301 1 . ASN 49 49 10301 1 . ILE 50 50 10301 1 . ASN 51 51 10301 1 . GLY 52 52 10301 1 . GLN 53 53 10301 1 . TRP 54 54 10301 1 . GLU 55 55 10301 1 . GLY 56 56 10301 1 . GLU 57 57 10301 1 . VAL 58 58 10301 1 . ASN 59 59 10301 1 . GLY 60 60 10301 1 . ARG 61 61 10301 1 . LYS 62 62 10301 1 . GLY 63 63 10301 1 . LEU 64 64 10301 1 . PHE 65 65 10301 1 . PRO 66 66 10301 1 . PHE 67 67 10301 1 . THR 68 68 10301 1 . HIS 69 69 10301 1 . VAL 70 70 10301 1 . LYS 71 71 10301 1 . ILE 72 72 10301 1 . PHE 73 73 10301 1 . ASP 74 74 10301 1 . PRO 75 75 10301 1 . GLN 76 76 10301 1 . ASN 77 77 10301 1 . PRO 78 78 10301 1 . ASP 79 79 10301 1 . GLU 80 80 10301 1 . ASN 81 81 10301 1 . GLU 82 82 10301 1 . SER 83 83 10301 1 . GLY 84 84 10301 1 . PRO 85 85 10301 1 . SER 86 86 10301 1 . SER 87 87 10301 1 . GLY 88 88 10301 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 10301 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10301 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 10301 _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 . . P050207-02 . . . . . . 10301 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10301 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10301 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10301 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10301 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10301 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10301 1 6 H2O . . . . . . solvent 90 . . % . . . . 10301 1 7 D2O . . . . . . solvent 10 . . % . . . . 10301 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 10301 _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 10301 1 pH 7.0 0.05 pH 10301 1 pressure 1 0.001 atm 10301 1 temperature 296 0.1 K 10301 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10301 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10301 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10301 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10301 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10301 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10301 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10301 _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.' . . 10301 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10301 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10301 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10301 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10301 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10301 _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.' . . 10301 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10301 5 'structure solution' 10301 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 10301 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10301 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 700 . . . 10301 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10301 _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 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10301 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10301 1 stop_ 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 10301 _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 . . . . . . . . . 10301 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10301 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10301 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 10301 _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 10301 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10301 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 8 8 PRO HA H 1 4.418 0.030 . 1 . . . . 8 PRO HA . 10301 1 2 . 1 1 8 8 PRO HB2 H 1 2.238 0.030 . 2 . . . . 8 PRO HB2 . 10301 1 3 . 1 1 8 8 PRO HD2 H 1 3.602 0.030 . 2 . . . . 8 PRO HD2 . 10301 1 4 . 1 1 8 8 PRO HG2 H 1 1.906 0.030 . 2 . . . . 8 PRO HG2 . 10301 1 5 . 1 1 8 8 PRO CA C 13 62.900 0.300 . 1 . . . . 8 PRO CA . 10301 1 6 . 1 1 8 8 PRO CB C 13 32.314 0.300 . 1 . . . . 8 PRO CB . 10301 1 7 . 1 1 8 8 PRO CD C 13 49.713 0.300 . 1 . . . . 8 PRO CD . 10301 1 8 . 1 1 8 8 PRO CG C 13 27.295 0.300 . 1 . . . . 8 PRO CG . 10301 1 9 . 1 1 9 9 LEU H H 1 8.348 0.030 . 1 . . . . 9 LEU H . 10301 1 10 . 1 1 9 9 LEU HA H 1 4.600 0.030 . 1 . . . . 9 LEU HA . 10301 1 11 . 1 1 9 9 LEU HB2 H 1 1.595 0.030 . 2 . . . . 9 LEU HB2 . 10301 1 12 . 1 1 9 9 LEU HB3 H 1 1.543 0.030 . 2 . . . . 9 LEU HB3 . 10301 1 13 . 1 1 9 9 LEU HD11 H 1 0.940 0.030 . 1 . . . . 9 LEU HD1 . 10301 1 14 . 1 1 9 9 LEU HD12 H 1 0.940 0.030 . 1 . . . . 9 LEU HD1 . 10301 1 15 . 1 1 9 9 LEU HD13 H 1 0.940 0.030 . 1 . . . . 9 LEU HD1 . 10301 1 16 . 1 1 9 9 LEU HD21 H 1 0.925 0.030 . 1 . . . . 9 LEU HD2 . 10301 1 17 . 1 1 9 9 LEU HD22 H 1 0.925 0.030 . 1 . . . . 9 LEU HD2 . 10301 1 18 . 1 1 9 9 LEU HD23 H 1 0.925 0.030 . 1 . . . . 9 LEU HD2 . 10301 1 19 . 1 1 9 9 LEU HG H 1 1.716 0.030 . 1 . . . . 9 LEU HG . 10301 1 20 . 1 1 9 9 LEU CA C 13 53.005 0.300 . 1 . . . . 9 LEU CA . 10301 1 21 . 1 1 9 9 LEU CB C 13 41.779 0.300 . 1 . . . . 9 LEU CB . 10301 1 22 . 1 1 9 9 LEU CD1 C 13 25.270 0.300 . 2 . . . . 9 LEU CD1 . 10301 1 23 . 1 1 9 9 LEU CD2 C 13 23.464 0.300 . 2 . . . . 9 LEU CD2 . 10301 1 24 . 1 1 9 9 LEU CG C 13 27.112 0.300 . 1 . . . . 9 LEU CG . 10301 1 25 . 1 1 9 9 LEU N N 15 123.610 0.300 . 1 . . . . 9 LEU N . 10301 1 26 . 1 1 10 10 PRO HA H 1 4.438 0.030 . 1 . . . . 10 PRO HA . 10301 1 27 . 1 1 10 10 PRO HB2 H 1 2.300 0.030 . 2 . . . . 10 PRO HB2 . 10301 1 28 . 1 1 10 10 PRO HB3 H 1 1.899 0.030 . 2 . . . . 10 PRO HB3 . 10301 1 29 . 1 1 10 10 PRO HD2 H 1 3.855 0.030 . 2 . . . . 10 PRO HD2 . 10301 1 30 . 1 1 10 10 PRO HD3 H 1 3.628 0.030 . 2 . . . . 10 PRO HD3 . 10301 1 31 . 1 1 10 10 PRO HG2 H 1 2.020 0.030 . 1 . . . . 10 PRO HG2 . 10301 1 32 . 1 1 10 10 PRO HG3 H 1 2.020 0.030 . 1 . . . . 10 PRO HG3 . 10301 1 33 . 1 1 10 10 PRO C C 13 176.598 0.300 . 1 . . . . 10 PRO C . 10301 1 34 . 1 1 10 10 PRO CA C 13 63.128 0.300 . 1 . . . . 10 PRO CA . 10301 1 35 . 1 1 10 10 PRO CB C 13 32.153 0.300 . 1 . . . . 10 PRO CB . 10301 1 36 . 1 1 10 10 PRO CD C 13 50.531 0.300 . 1 . . . . 10 PRO CD . 10301 1 37 . 1 1 10 10 PRO CG C 13 27.542 0.300 . 1 . . . . 10 PRO CG . 10301 1 38 . 1 1 11 11 SER H H 1 8.365 0.030 . 1 . . . . 11 SER H . 10301 1 39 . 1 1 11 11 SER HA H 1 4.481 0.030 . 1 . . . . 11 SER HA . 10301 1 40 . 1 1 11 11 SER HB2 H 1 3.932 0.030 . 2 . . . . 11 SER HB2 . 10301 1 41 . 1 1 11 11 SER HB3 H 1 3.816 0.030 . 2 . . . . 11 SER HB3 . 10301 1 42 . 1 1 11 11 SER C C 13 175.136 0.300 . 1 . . . . 11 SER C . 10301 1 43 . 1 1 11 11 SER CA C 13 58.138 0.300 . 1 . . . . 11 SER CA . 10301 1 44 . 1 1 11 11 SER CB C 13 63.971 0.300 . 1 . . . . 11 SER CB . 10301 1 45 . 1 1 11 11 SER N N 15 115.315 0.300 . 1 . . . . 11 SER N . 10301 1 46 . 1 1 12 12 THR H H 1 8.153 0.030 . 1 . . . . 12 THR H . 10301 1 47 . 1 1 12 12 THR HA H 1 4.426 0.030 . 1 . . . . 12 THR HA . 10301 1 48 . 1 1 12 12 THR HB H 1 4.276 0.030 . 1 . . . . 12 THR HB . 10301 1 49 . 1 1 12 12 THR HG21 H 1 1.123 0.030 . 1 . . . . 12 THR HG2 . 10301 1 50 . 1 1 12 12 THR HG22 H 1 1.123 0.030 . 1 . . . . 12 THR HG2 . 10301 1 51 . 1 1 12 12 THR HG23 H 1 1.123 0.030 . 1 . . . . 12 THR HG2 . 10301 1 52 . 1 1 12 12 THR C C 13 174.871 0.300 . 1 . . . . 12 THR C . 10301 1 53 . 1 1 12 12 THR CA C 13 61.894 0.300 . 1 . . . . 12 THR CA . 10301 1 54 . 1 1 12 12 THR CB C 13 69.445 0.300 . 1 . . . . 12 THR CB . 10301 1 55 . 1 1 12 12 THR CG2 C 13 21.773 0.300 . 1 . . . . 12 THR CG2 . 10301 1 56 . 1 1 12 12 THR N N 15 115.192 0.300 . 1 . . . . 12 THR N . 10301 1 57 . 1 1 13 13 GLN H H 1 8.301 0.030 . 1 . . . . 13 GLN H . 10301 1 58 . 1 1 13 13 GLN HA H 1 4.284 0.030 . 1 . . . . 13 GLN HA . 10301 1 59 . 1 1 13 13 GLN HB2 H 1 2.056 0.030 . 2 . . . . 13 GLN HB2 . 10301 1 60 . 1 1 13 13 GLN HB3 H 1 1.957 0.030 . 2 . . . . 13 GLN HB3 . 10301 1 61 . 1 1 13 13 GLN HG2 H 1 2.319 0.030 . 1 . . . . 13 GLN HG2 . 10301 1 62 . 1 1 13 13 GLN HG3 H 1 2.319 0.030 . 1 . . . . 13 GLN HG3 . 10301 1 63 . 1 1 13 13 GLN C C 13 175.796 0.300 . 1 . . . . 13 GLN C . 10301 1 64 . 1 1 13 13 GLN CA C 13 56.392 0.300 . 1 . . . . 13 GLN CA . 10301 1 65 . 1 1 13 13 GLN CB C 13 29.438 0.300 . 1 . . . . 13 GLN CB . 10301 1 66 . 1 1 13 13 GLN CG C 13 33.766 0.300 . 1 . . . . 13 GLN CG . 10301 1 67 . 1 1 13 13 GLN N N 15 122.150 0.300 . 1 . . . . 13 GLN N . 10301 1 68 . 1 1 15 15 GLY HA2 H 1 4.144 0.030 . 2 . . . . 15 GLY HA2 . 10301 1 69 . 1 1 15 15 GLY HA3 H 1 4.076 0.030 . 2 . . . . 15 GLY HA3 . 10301 1 70 . 1 1 15 15 GLY CA C 13 44.653 0.300 . 1 . . . . 15 GLY CA . 10301 1 71 . 1 1 16 16 PRO HA H 1 4.412 0.030 . 1 . . . . 16 PRO HA . 10301 1 72 . 1 1 16 16 PRO HB2 H 1 1.961 0.030 . 2 . . . . 16 PRO HB2 . 10301 1 73 . 1 1 16 16 PRO HB3 H 1 1.470 0.030 . 2 . . . . 16 PRO HB3 . 10301 1 74 . 1 1 16 16 PRO HD2 H 1 3.607 0.030 . 1 . . . . 16 PRO HD2 . 10301 1 75 . 1 1 16 16 PRO HD3 H 1 3.607 0.030 . 1 . . . . 16 PRO HD3 . 10301 1 76 . 1 1 16 16 PRO HG2 H 1 1.977 0.030 . 1 . . . . 16 PRO HG2 . 10301 1 77 . 1 1 16 16 PRO HG3 H 1 1.977 0.030 . 1 . . . . 16 PRO HG3 . 10301 1 78 . 1 1 16 16 PRO C C 13 175.930 0.300 . 1 . . . . 16 PRO C . 10301 1 79 . 1 1 16 16 PRO CA C 13 62.775 0.300 . 1 . . . . 16 PRO CA . 10301 1 80 . 1 1 16 16 PRO CB C 13 32.487 0.300 . 1 . . . . 16 PRO CB . 10301 1 81 . 1 1 16 16 PRO CD C 13 49.733 0.300 . 1 . . . . 16 PRO CD . 10301 1 82 . 1 1 16 16 PRO CG C 13 27.213 0.300 . 1 . . . . 16 PRO CG . 10301 1 83 . 1 1 17 17 VAL H H 1 8.054 0.030 . 1 . . . . 17 VAL H . 10301 1 84 . 1 1 17 17 VAL HA H 1 4.196 0.030 . 1 . . . . 17 VAL HA . 10301 1 85 . 1 1 17 17 VAL HB H 1 1.924 0.030 . 1 . . . . 17 VAL HB . 10301 1 86 . 1 1 17 17 VAL HG11 H 1 0.880 0.030 . 1 . . . . 17 VAL HG1 . 10301 1 87 . 1 1 17 17 VAL HG12 H 1 0.880 0.030 . 1 . . . . 17 VAL HG1 . 10301 1 88 . 1 1 17 17 VAL HG13 H 1 0.880 0.030 . 1 . . . . 17 VAL HG1 . 10301 1 89 . 1 1 17 17 VAL HG21 H 1 0.822 0.030 . 1 . . . . 17 VAL HG2 . 10301 1 90 . 1 1 17 17 VAL HG22 H 1 0.822 0.030 . 1 . . . . 17 VAL HG2 . 10301 1 91 . 1 1 17 17 VAL HG23 H 1 0.822 0.030 . 1 . . . . 17 VAL HG2 . 10301 1 92 . 1 1 17 17 VAL C C 13 173.672 0.300 . 1 . . . . 17 VAL C . 10301 1 93 . 1 1 17 17 VAL CA C 13 61.159 0.300 . 1 . . . . 17 VAL CA . 10301 1 94 . 1 1 17 17 VAL CB C 13 34.310 0.300 . 1 . . . . 17 VAL CB . 10301 1 95 . 1 1 17 17 VAL CG1 C 13 21.526 0.300 . 2 . . . . 17 VAL CG1 . 10301 1 96 . 1 1 17 17 VAL CG2 C 13 21.251 0.300 . 2 . . . . 17 VAL CG2 . 10301 1 97 . 1 1 17 17 VAL N N 15 120.517 0.300 . 1 . . . . 17 VAL N . 10301 1 98 . 1 1 18 18 PHE H H 1 8.993 0.030 . 1 . . . . 18 PHE H . 10301 1 99 . 1 1 18 18 PHE HA H 1 5.521 0.030 . 1 . . . . 18 PHE HA . 10301 1 100 . 1 1 18 18 PHE HB2 H 1 2.807 0.030 . 2 . . . . 18 PHE HB2 . 10301 1 101 . 1 1 18 18 PHE HB3 H 1 2.622 0.030 . 2 . . . . 18 PHE HB3 . 10301 1 102 . 1 1 18 18 PHE HD1 H 1 7.158 0.030 . 1 . . . . 18 PHE HD1 . 10301 1 103 . 1 1 18 18 PHE HD2 H 1 7.158 0.030 . 1 . . . . 18 PHE HD2 . 10301 1 104 . 1 1 18 18 PHE HE1 H 1 7.287 0.030 . 1 . . . . 18 PHE HE1 . 10301 1 105 . 1 1 18 18 PHE HE2 H 1 7.287 0.030 . 1 . . . . 18 PHE HE2 . 10301 1 106 . 1 1 18 18 PHE HZ H 1 7.320 0.030 . 1 . . . . 18 PHE HZ . 10301 1 107 . 1 1 18 18 PHE C C 13 174.184 0.300 . 1 . . . . 18 PHE C . 10301 1 108 . 1 1 18 18 PHE CA C 13 56.922 0.300 . 1 . . . . 18 PHE CA . 10301 1 109 . 1 1 18 18 PHE CB C 13 42.790 0.300 . 1 . . . . 18 PHE CB . 10301 1 110 . 1 1 18 18 PHE CD1 C 13 131.812 0.300 . 1 . . . . 18 PHE CD1 . 10301 1 111 . 1 1 18 18 PHE CD2 C 13 131.812 0.300 . 1 . . . . 18 PHE CD2 . 10301 1 112 . 1 1 18 18 PHE CE1 C 13 129.432 0.300 . 1 . . . . 18 PHE CE1 . 10301 1 113 . 1 1 18 18 PHE CE2 C 13 129.432 0.300 . 1 . . . . 18 PHE CE2 . 10301 1 114 . 1 1 18 18 PHE CZ C 13 131.207 0.300 . 1 . . . . 18 PHE CZ . 10301 1 115 . 1 1 18 18 PHE N N 15 123.452 0.300 . 1 . . . . 18 PHE N . 10301 1 116 . 1 1 19 19 ALA H H 1 9.443 0.030 . 1 . . . . 19 ALA H . 10301 1 117 . 1 1 19 19 ALA HA H 1 5.340 0.030 . 1 . . . . 19 ALA HA . 10301 1 118 . 1 1 19 19 ALA HB1 H 1 1.255 0.030 . 1 . . . . 19 ALA HB . 10301 1 119 . 1 1 19 19 ALA HB2 H 1 1.255 0.030 . 1 . . . . 19 ALA HB . 10301 1 120 . 1 1 19 19 ALA HB3 H 1 1.255 0.030 . 1 . . . . 19 ALA HB . 10301 1 121 . 1 1 19 19 ALA C C 13 174.632 0.300 . 1 . . . . 19 ALA C . 10301 1 122 . 1 1 19 19 ALA CA C 13 50.221 0.300 . 1 . . . . 19 ALA CA . 10301 1 123 . 1 1 19 19 ALA CB C 13 23.710 0.300 . 1 . . . . 19 ALA CB . 10301 1 124 . 1 1 19 19 ALA N N 15 120.972 0.300 . 1 . . . . 19 ALA N . 10301 1 125 . 1 1 20 20 LYS H H 1 8.906 0.030 . 1 . . . . 20 LYS H . 10301 1 126 . 1 1 20 20 LYS HA H 1 5.406 0.030 . 1 . . . . 20 LYS HA . 10301 1 127 . 1 1 20 20 LYS HB2 H 1 1.538 0.030 . 2 . . . . 20 LYS HB2 . 10301 1 128 . 1 1 20 20 LYS HB3 H 1 1.365 0.030 . 2 . . . . 20 LYS HB3 . 10301 1 129 . 1 1 20 20 LYS HD2 H 1 1.401 0.030 . 2 . . . . 20 LYS HD2 . 10301 1 130 . 1 1 20 20 LYS HD3 H 1 1.346 0.030 . 2 . . . . 20 LYS HD3 . 10301 1 131 . 1 1 20 20 LYS HE2 H 1 2.543 0.030 . 2 . . . . 20 LYS HE2 . 10301 1 132 . 1 1 20 20 LYS HE3 H 1 2.326 0.030 . 2 . . . . 20 LYS HE3 . 10301 1 133 . 1 1 20 20 LYS HG2 H 1 1.132 0.030 . 1 . . . . 20 LYS HG2 . 10301 1 134 . 1 1 20 20 LYS HG3 H 1 1.132 0.030 . 1 . . . . 20 LYS HG3 . 10301 1 135 . 1 1 20 20 LYS C C 13 176.756 0.300 . 1 . . . . 20 LYS C . 10301 1 136 . 1 1 20 20 LYS CA C 13 53.625 0.300 . 1 . . . . 20 LYS CA . 10301 1 137 . 1 1 20 20 LYS CB C 13 35.331 0.300 . 1 . . . . 20 LYS CB . 10301 1 138 . 1 1 20 20 LYS CD C 13 29.469 0.300 . 1 . . . . 20 LYS CD . 10301 1 139 . 1 1 20 20 LYS CE C 13 41.553 0.300 . 1 . . . . 20 LYS CE . 10301 1 140 . 1 1 20 20 LYS CG C 13 24.857 0.300 . 1 . . . . 20 LYS CG . 10301 1 141 . 1 1 20 20 LYS N N 15 120.963 0.300 . 1 . . . . 20 LYS N . 10301 1 142 . 1 1 21 21 ALA H H 1 9.395 0.030 . 1 . . . . 21 ALA H . 10301 1 143 . 1 1 21 21 ALA HA H 1 4.798 0.030 . 1 . . . . 21 ALA HA . 10301 1 144 . 1 1 21 21 ALA HB1 H 1 1.452 0.030 . 1 . . . . 21 ALA HB . 10301 1 145 . 1 1 21 21 ALA HB2 H 1 1.452 0.030 . 1 . . . . 21 ALA HB . 10301 1 146 . 1 1 21 21 ALA HB3 H 1 1.452 0.030 . 1 . . . . 21 ALA HB . 10301 1 147 . 1 1 21 21 ALA C C 13 178.680 0.300 . 1 . . . . 21 ALA C . 10301 1 148 . 1 1 21 21 ALA CA C 13 52.760 0.300 . 1 . . . . 21 ALA CA . 10301 1 149 . 1 1 21 21 ALA CB C 13 19.177 0.300 . 1 . . . . 21 ALA CB . 10301 1 150 . 1 1 21 21 ALA N N 15 126.776 0.300 . 1 . . . . 21 ALA N . 10301 1 151 . 1 1 22 22 ILE H H 1 8.971 0.030 . 1 . . . . 22 ILE H . 10301 1 152 . 1 1 22 22 ILE HA H 1 4.468 0.030 . 1 . . . . 22 ILE HA . 10301 1 153 . 1 1 22 22 ILE HB H 1 2.128 0.030 . 1 . . . . 22 ILE HB . 10301 1 154 . 1 1 22 22 ILE HD11 H 1 0.773 0.030 . 1 . . . . 22 ILE HD1 . 10301 1 155 . 1 1 22 22 ILE HD12 H 1 0.773 0.030 . 1 . . . . 22 ILE HD1 . 10301 1 156 . 1 1 22 22 ILE HD13 H 1 0.773 0.030 . 1 . . . . 22 ILE HD1 . 10301 1 157 . 1 1 22 22 ILE HG12 H 1 1.025 0.030 . 2 . . . . 22 ILE HG12 . 10301 1 158 . 1 1 22 22 ILE HG13 H 1 0.669 0.030 . 2 . . . . 22 ILE HG13 . 10301 1 159 . 1 1 22 22 ILE HG21 H 1 0.873 0.030 . 1 . . . . 22 ILE HG2 . 10301 1 160 . 1 1 22 22 ILE HG22 H 1 0.873 0.030 . 1 . . . . 22 ILE HG2 . 10301 1 161 . 1 1 22 22 ILE HG23 H 1 0.873 0.030 . 1 . . . . 22 ILE HG2 . 10301 1 162 . 1 1 22 22 ILE C C 13 174.696 0.300 . 1 . . . . 22 ILE C . 10301 1 163 . 1 1 22 22 ILE CA C 13 60.607 0.300 . 1 . . . . 22 ILE CA . 10301 1 164 . 1 1 22 22 ILE CB C 13 39.245 0.300 . 1 . . . . 22 ILE CB . 10301 1 165 . 1 1 22 22 ILE CD1 C 13 14.142 0.300 . 1 . . . . 22 ILE CD1 . 10301 1 166 . 1 1 22 22 ILE CG1 C 13 26.636 0.300 . 1 . . . . 22 ILE CG1 . 10301 1 167 . 1 1 22 22 ILE CG2 C 13 19.018 0.300 . 1 . . . . 22 ILE CG2 . 10301 1 168 . 1 1 22 22 ILE N N 15 118.560 0.300 . 1 . . . . 22 ILE N . 10301 1 169 . 1 1 23 23 GLN H H 1 7.445 0.030 . 1 . . . . 23 GLN H . 10301 1 170 . 1 1 23 23 GLN HA H 1 4.286 0.030 . 1 . . . . 23 GLN HA . 10301 1 171 . 1 1 23 23 GLN HB2 H 1 1.471 0.030 . 1 . . . . 23 GLN HB2 . 10301 1 172 . 1 1 23 23 GLN HB3 H 1 1.471 0.030 . 1 . . . . 23 GLN HB3 . 10301 1 173 . 1 1 23 23 GLN HG2 H 1 2.161 0.030 . 1 . . . . 23 GLN HG2 . 10301 1 174 . 1 1 23 23 GLN HG3 H 1 2.161 0.030 . 1 . . . . 23 GLN HG3 . 10301 1 175 . 1 1 23 23 GLN C C 13 172.615 0.300 . 1 . . . . 23 GLN C . 10301 1 176 . 1 1 23 23 GLN CA C 13 54.735 0.300 . 1 . . . . 23 GLN CA . 10301 1 177 . 1 1 23 23 GLN CB C 13 32.240 0.300 . 1 . . . . 23 GLN CB . 10301 1 178 . 1 1 23 23 GLN CG C 13 33.455 0.300 . 1 . . . . 23 GLN CG . 10301 1 179 . 1 1 23 23 GLN N N 15 121.904 0.300 . 1 . . . . 23 GLN N . 10301 1 180 . 1 1 24 24 LYS H H 1 8.343 0.030 . 1 . . . . 24 LYS H . 10301 1 181 . 1 1 24 24 LYS HA H 1 3.966 0.030 . 1 . . . . 24 LYS HA . 10301 1 182 . 1 1 24 24 LYS HB2 H 1 1.900 0.030 . 2 . . . . 24 LYS HB2 . 10301 1 183 . 1 1 24 24 LYS HB3 H 1 1.705 0.030 . 2 . . . . 24 LYS HB3 . 10301 1 184 . 1 1 24 24 LYS HD2 H 1 1.718 0.030 . 1 . . . . 24 LYS HD2 . 10301 1 185 . 1 1 24 24 LYS HD3 H 1 1.718 0.030 . 1 . . . . 24 LYS HD3 . 10301 1 186 . 1 1 24 24 LYS HE2 H 1 2.989 0.030 . 1 . . . . 24 LYS HE2 . 10301 1 187 . 1 1 24 24 LYS HE3 H 1 2.989 0.030 . 1 . . . . 24 LYS HE3 . 10301 1 188 . 1 1 24 24 LYS HG2 H 1 1.647 0.030 . 2 . . . . 24 LYS HG2 . 10301 1 189 . 1 1 24 24 LYS HG3 H 1 1.289 0.030 . 2 . . . . 24 LYS HG3 . 10301 1 190 . 1 1 24 24 LYS CA C 13 56.457 0.300 . 1 . . . . 24 LYS CA . 10301 1 191 . 1 1 24 24 LYS CB C 13 33.766 0.300 . 1 . . . . 24 LYS CB . 10301 1 192 . 1 1 24 24 LYS CD C 13 29.969 0.300 . 1 . . . . 24 LYS CD . 10301 1 193 . 1 1 24 24 LYS CE C 13 41.958 0.300 . 1 . . . . 24 LYS CE . 10301 1 194 . 1 1 24 24 LYS CG C 13 24.996 0.300 . 1 . . . . 24 LYS CG . 10301 1 195 . 1 1 25 25 ARG H H 1 9.268 0.030 . 1 . . . . 25 ARG H . 10301 1 196 . 1 1 25 25 ARG HA H 1 4.682 0.030 . 1 . . . . 25 ARG HA . 10301 1 197 . 1 1 25 25 ARG HB2 H 1 1.955 0.030 . 2 . . . . 25 ARG HB2 . 10301 1 198 . 1 1 25 25 ARG HB3 H 1 1.925 0.030 . 2 . . . . 25 ARG HB3 . 10301 1 199 . 1 1 25 25 ARG HD2 H 1 3.047 0.030 . 2 . . . . 25 ARG HD2 . 10301 1 200 . 1 1 25 25 ARG HD3 H 1 2.773 0.030 . 2 . . . . 25 ARG HD3 . 10301 1 201 . 1 1 25 25 ARG HG2 H 1 1.449 0.030 . 2 . . . . 25 ARG HG2 . 10301 1 202 . 1 1 25 25 ARG HG3 H 1 1.386 0.030 . 2 . . . . 25 ARG HG3 . 10301 1 203 . 1 1 25 25 ARG CA C 13 56.031 0.300 . 1 . . . . 25 ARG CA . 10301 1 204 . 1 1 25 25 ARG CB C 13 34.153 0.300 . 1 . . . . 25 ARG CB . 10301 1 205 . 1 1 25 25 ARG CD C 13 42.353 0.300 . 1 . . . . 25 ARG CD . 10301 1 206 . 1 1 25 25 ARG CG C 13 28.853 0.300 . 1 . . . . 25 ARG CG . 10301 1 207 . 1 1 25 25 ARG N N 15 127.406 0.300 . 1 . . . . 25 ARG N . 10301 1 208 . 1 1 26 26 VAL HA H 1 4.541 0.030 . 1 . . . . 26 VAL HA . 10301 1 209 . 1 1 26 26 VAL HB H 1 2.116 0.030 . 1 . . . . 26 VAL HB . 10301 1 210 . 1 1 26 26 VAL HG11 H 1 0.971 0.030 . 1 . . . . 26 VAL HG1 . 10301 1 211 . 1 1 26 26 VAL HG12 H 1 0.971 0.030 . 1 . . . . 26 VAL HG1 . 10301 1 212 . 1 1 26 26 VAL HG13 H 1 0.971 0.030 . 1 . . . . 26 VAL HG1 . 10301 1 213 . 1 1 26 26 VAL HG21 H 1 0.957 0.030 . 1 . . . . 26 VAL HG2 . 10301 1 214 . 1 1 26 26 VAL HG22 H 1 0.957 0.030 . 1 . . . . 26 VAL HG2 . 10301 1 215 . 1 1 26 26 VAL HG23 H 1 0.957 0.030 . 1 . . . . 26 VAL HG2 . 10301 1 216 . 1 1 26 26 VAL CA C 13 59.628 0.300 . 1 . . . . 26 VAL CA . 10301 1 217 . 1 1 26 26 VAL CB C 13 32.266 0.300 . 1 . . . . 26 VAL CB . 10301 1 218 . 1 1 26 26 VAL CG1 C 13 20.705 0.300 . 2 . . . . 26 VAL CG1 . 10301 1 219 . 1 1 26 26 VAL CG2 C 13 20.705 0.300 . 2 . . . . 26 VAL CG2 . 10301 1 220 . 1 1 27 27 PRO HA H 1 4.344 0.030 . 1 . . . . 27 PRO HA . 10301 1 221 . 1 1 27 27 PRO HB2 H 1 2.088 0.030 . 2 . . . . 27 PRO HB2 . 10301 1 222 . 1 1 27 27 PRO HB3 H 1 1.929 0.030 . 2 . . . . 27 PRO HB3 . 10301 1 223 . 1 1 27 27 PRO HD2 H 1 3.942 0.030 . 2 . . . . 27 PRO HD2 . 10301 1 224 . 1 1 27 27 PRO HD3 H 1 3.791 0.030 . 2 . . . . 27 PRO HD3 . 10301 1 225 . 1 1 27 27 PRO HG2 H 1 1.998 0.030 . 2 . . . . 27 PRO HG2 . 10301 1 226 . 1 1 27 27 PRO HG3 H 1 1.502 0.030 . 2 . . . . 27 PRO HG3 . 10301 1 227 . 1 1 27 27 PRO C C 13 176.131 0.300 . 1 . . . . 27 PRO C . 10301 1 228 . 1 1 27 27 PRO CA C 13 62.169 0.300 . 1 . . . . 27 PRO CA . 10301 1 229 . 1 1 27 27 PRO CB C 13 33.064 0.300 . 1 . . . . 27 PRO CB . 10301 1 230 . 1 1 27 27 PRO CD C 13 51.046 0.300 . 1 . . . . 27 PRO CD . 10301 1 231 . 1 1 27 27 PRO CG C 13 27.213 0.300 . 1 . . . . 27 PRO CG . 10301 1 232 . 1 1 28 28 CYS H H 1 8.945 0.030 . 1 . . . . 28 CYS H . 10301 1 233 . 1 1 28 28 CYS HA H 1 4.267 0.030 . 1 . . . . 28 CYS HA . 10301 1 234 . 1 1 28 28 CYS HB2 H 1 2.743 0.030 . 1 . . . . 28 CYS HB2 . 10301 1 235 . 1 1 28 28 CYS HB3 H 1 2.743 0.030 . 1 . . . . 28 CYS HB3 . 10301 1 236 . 1 1 28 28 CYS C C 13 176.379 0.300 . 1 . . . . 28 CYS C . 10301 1 237 . 1 1 28 28 CYS CA C 13 59.354 0.300 . 1 . . . . 28 CYS CA . 10301 1 238 . 1 1 28 28 CYS CB C 13 28.145 0.300 . 1 . . . . 28 CYS CB . 10301 1 239 . 1 1 28 28 CYS N N 15 122.320 0.300 . 1 . . . . 28 CYS N . 10301 1 240 . 1 1 29 29 ALA H H 1 8.717 0.030 . 1 . . . . 29 ALA H . 10301 1 241 . 1 1 29 29 ALA HA H 1 3.941 0.030 . 1 . . . . 29 ALA HA . 10301 1 242 . 1 1 29 29 ALA HB1 H 1 1.242 0.030 . 1 . . . . 29 ALA HB . 10301 1 243 . 1 1 29 29 ALA HB2 H 1 1.242 0.030 . 1 . . . . 29 ALA HB . 10301 1 244 . 1 1 29 29 ALA HB3 H 1 1.242 0.030 . 1 . . . . 29 ALA HB . 10301 1 245 . 1 1 29 29 ALA C C 13 177.994 0.300 . 1 . . . . 29 ALA C . 10301 1 246 . 1 1 29 29 ALA CA C 13 54.686 0.300 . 1 . . . . 29 ALA CA . 10301 1 247 . 1 1 29 29 ALA CB C 13 18.509 0.300 . 1 . . . . 29 ALA CB . 10301 1 248 . 1 1 30 30 TYR H H 1 7.690 0.030 . 1 . . . . 30 TYR H . 10301 1 249 . 1 1 30 30 TYR HA H 1 4.516 0.030 . 1 . . . . 30 TYR HA . 10301 1 250 . 1 1 30 30 TYR HB2 H 1 3.151 0.030 . 1 . . . . 30 TYR HB2 . 10301 1 251 . 1 1 30 30 TYR HB3 H 1 3.151 0.030 . 1 . . . . 30 TYR HB3 . 10301 1 252 . 1 1 30 30 TYR HD1 H 1 7.112 0.030 . 1 . . . . 30 TYR HD1 . 10301 1 253 . 1 1 30 30 TYR HD2 H 1 7.112 0.030 . 1 . . . . 30 TYR HD2 . 10301 1 254 . 1 1 30 30 TYR HE1 H 1 6.878 0.030 . 1 . . . . 30 TYR HE1 . 10301 1 255 . 1 1 30 30 TYR HE2 H 1 6.878 0.030 . 1 . . . . 30 TYR HE2 . 10301 1 256 . 1 1 30 30 TYR C C 13 175.285 0.300 . 1 . . . . 30 TYR C . 10301 1 257 . 1 1 30 30 TYR CA C 13 57.169 0.300 . 1 . . . . 30 TYR CA . 10301 1 258 . 1 1 30 30 TYR CB C 13 37.397 0.300 . 1 . . . . 30 TYR CB . 10301 1 259 . 1 1 30 30 TYR CD1 C 13 133.268 0.300 . 1 . . . . 30 TYR CD1 . 10301 1 260 . 1 1 30 30 TYR CD2 C 13 133.268 0.300 . 1 . . . . 30 TYR CD2 . 10301 1 261 . 1 1 30 30 TYR CE1 C 13 118.468 0.300 . 1 . . . . 30 TYR CE1 . 10301 1 262 . 1 1 30 30 TYR CE2 C 13 118.468 0.300 . 1 . . . . 30 TYR CE2 . 10301 1 263 . 1 1 30 30 TYR N N 15 112.691 0.300 . 1 . . . . 30 TYR N . 10301 1 264 . 1 1 31 31 ASP H H 1 7.413 0.030 . 1 . . . . 31 ASP H . 10301 1 265 . 1 1 31 31 ASP HA H 1 4.798 0.030 . 1 . . . . 31 ASP HA . 10301 1 266 . 1 1 31 31 ASP HB2 H 1 2.964 0.030 . 2 . . . . 31 ASP HB2 . 10301 1 267 . 1 1 31 31 ASP HB3 H 1 2.318 0.030 . 2 . . . . 31 ASP HB3 . 10301 1 268 . 1 1 31 31 ASP C C 13 176.563 0.300 . 1 . . . . 31 ASP C . 10301 1 269 . 1 1 31 31 ASP CA C 13 52.760 0.300 . 1 . . . . 31 ASP CA . 10301 1 270 . 1 1 31 31 ASP CB C 13 40.523 0.300 . 1 . . . . 31 ASP CB . 10301 1 271 . 1 1 31 31 ASP N N 15 121.332 0.300 . 1 . . . . 31 ASP N . 10301 1 272 . 1 1 32 32 LYS H H 1 8.516 0.030 . 1 . . . . 32 LYS H . 10301 1 273 . 1 1 32 32 LYS HA H 1 4.293 0.030 . 1 . . . . 32 LYS HA . 10301 1 274 . 1 1 32 32 LYS HB2 H 1 2.046 0.030 . 2 . . . . 32 LYS HB2 . 10301 1 275 . 1 1 32 32 LYS HB3 H 1 1.885 0.030 . 2 . . . . 32 LYS HB3 . 10301 1 276 . 1 1 32 32 LYS HD2 H 1 1.727 0.030 . 1 . . . . 32 LYS HD2 . 10301 1 277 . 1 1 32 32 LYS HD3 H 1 1.727 0.030 . 1 . . . . 32 LYS HD3 . 10301 1 278 . 1 1 32 32 LYS HE2 H 1 3.044 0.030 . 1 . . . . 32 LYS HE2 . 10301 1 279 . 1 1 32 32 LYS HE3 H 1 3.044 0.030 . 1 . . . . 32 LYS HE3 . 10301 1 280 . 1 1 32 32 LYS HG2 H 1 1.565 0.030 . 1 . . . . 32 LYS HG2 . 10301 1 281 . 1 1 32 32 LYS HG3 H 1 1.565 0.030 . 1 . . . . 32 LYS HG3 . 10301 1 282 . 1 1 32 32 LYS C C 13 177.717 0.300 . 1 . . . . 32 LYS C . 10301 1 283 . 1 1 32 32 LYS CA C 13 57.521 0.300 . 1 . . . . 32 LYS CA . 10301 1 284 . 1 1 32 32 LYS CB C 13 32.158 0.300 . 1 . . . . 32 LYS CB . 10301 1 285 . 1 1 32 32 LYS CD C 13 28.696 0.300 . 1 . . . . 32 LYS CD . 10301 1 286 . 1 1 32 32 LYS CE C 13 42.255 0.300 . 1 . . . . 32 LYS CE . 10301 1 287 . 1 1 32 32 LYS CG C 13 24.894 0.300 . 1 . . . . 32 LYS CG . 10301 1 288 . 1 1 32 32 LYS N N 15 123.322 0.300 . 1 . . . . 32 LYS N . 10301 1 289 . 1 1 33 33 THR H H 1 8.250 0.030 . 1 . . . . 33 THR H . 10301 1 290 . 1 1 33 33 THR HA H 1 4.545 0.030 . 1 . . . . 33 THR HA . 10301 1 291 . 1 1 33 33 THR HB H 1 4.503 0.030 . 1 . . . . 33 THR HB . 10301 1 292 . 1 1 33 33 THR HG21 H 1 1.235 0.030 . 1 . . . . 33 THR HG2 . 10301 1 293 . 1 1 33 33 THR HG22 H 1 1.235 0.030 . 1 . . . . 33 THR HG2 . 10301 1 294 . 1 1 33 33 THR HG23 H 1 1.235 0.030 . 1 . . . . 33 THR HG2 . 10301 1 295 . 1 1 33 33 THR C C 13 173.932 0.300 . 1 . . . . 33 THR C . 10301 1 296 . 1 1 33 33 THR CA C 13 61.559 0.300 . 1 . . . . 33 THR CA . 10301 1 297 . 1 1 33 33 THR CB C 13 69.851 0.300 . 1 . . . . 33 THR CB . 10301 1 298 . 1 1 33 33 THR CG2 C 13 21.911 0.300 . 1 . . . . 33 THR CG2 . 10301 1 299 . 1 1 33 33 THR N N 15 108.218 0.300 . 1 . . . . 33 THR N . 10301 1 300 . 1 1 34 34 ALA H H 1 7.097 0.030 . 1 . . . . 34 ALA H . 10301 1 301 . 1 1 34 34 ALA HA H 1 4.534 0.030 . 1 . . . . 34 ALA HA . 10301 1 302 . 1 1 34 34 ALA HB1 H 1 1.315 0.030 . 1 . . . . 34 ALA HB . 10301 1 303 . 1 1 34 34 ALA HB2 H 1 1.315 0.030 . 1 . . . . 34 ALA HB . 10301 1 304 . 1 1 34 34 ALA HB3 H 1 1.315 0.030 . 1 . . . . 34 ALA HB . 10301 1 305 . 1 1 34 34 ALA C C 13 176.582 0.300 . 1 . . . . 34 ALA C . 10301 1 306 . 1 1 34 34 ALA CA C 13 51.931 0.300 . 1 . . . . 34 ALA CA . 10301 1 307 . 1 1 34 34 ALA CB C 13 20.191 0.300 . 1 . . . . 34 ALA CB . 10301 1 308 . 1 1 34 34 ALA N N 15 124.835 0.300 . 1 . . . . 34 ALA N . 10301 1 309 . 1 1 35 35 LEU H H 1 8.948 0.030 . 1 . . . . 35 LEU H . 10301 1 310 . 1 1 35 35 LEU HA H 1 4.345 0.030 . 1 . . . . 35 LEU HA . 10301 1 311 . 1 1 35 35 LEU HB2 H 1 1.623 0.030 . 2 . . . . 35 LEU HB2 . 10301 1 312 . 1 1 35 35 LEU HB3 H 1 0.958 0.030 . 2 . . . . 35 LEU HB3 . 10301 1 313 . 1 1 35 35 LEU HD11 H 1 0.636 0.030 . 1 . . . . 35 LEU HD1 . 10301 1 314 . 1 1 35 35 LEU HD12 H 1 0.636 0.030 . 1 . . . . 35 LEU HD1 . 10301 1 315 . 1 1 35 35 LEU HD13 H 1 0.636 0.030 . 1 . . . . 35 LEU HD1 . 10301 1 316 . 1 1 35 35 LEU HD21 H 1 0.783 0.030 . 1 . . . . 35 LEU HD2 . 10301 1 317 . 1 1 35 35 LEU HD22 H 1 0.783 0.030 . 1 . . . . 35 LEU HD2 . 10301 1 318 . 1 1 35 35 LEU HD23 H 1 0.783 0.030 . 1 . . . . 35 LEU HD2 . 10301 1 319 . 1 1 35 35 LEU HG H 1 1.426 0.030 . 1 . . . . 35 LEU HG . 10301 1 320 . 1 1 35 35 LEU C C 13 175.954 0.300 . 1 . . . . 35 LEU C . 10301 1 321 . 1 1 35 35 LEU CA C 13 54.101 0.300 . 1 . . . . 35 LEU CA . 10301 1 322 . 1 1 35 35 LEU CB C 13 44.676 0.300 . 1 . . . . 35 LEU CB . 10301 1 323 . 1 1 35 35 LEU CD1 C 13 25.811 0.300 . 2 . . . . 35 LEU CD1 . 10301 1 324 . 1 1 35 35 LEU CD2 C 13 23.586 0.300 . 2 . . . . 35 LEU CD2 . 10301 1 325 . 1 1 35 35 LEU CG C 13 25.978 0.300 . 1 . . . . 35 LEU CG . 10301 1 326 . 1 1 35 35 LEU N N 15 124.512 0.300 . 1 . . . . 35 LEU N . 10301 1 327 . 1 1 36 36 ALA H H 1 8.616 0.030 . 1 . . . . 36 ALA H . 10301 1 328 . 1 1 36 36 ALA HA H 1 4.454 0.030 . 1 . . . . 36 ALA HA . 10301 1 329 . 1 1 36 36 ALA HB1 H 1 1.399 0.030 . 1 . . . . 36 ALA HB . 10301 1 330 . 1 1 36 36 ALA HB2 H 1 1.399 0.030 . 1 . . . . 36 ALA HB . 10301 1 331 . 1 1 36 36 ALA HB3 H 1 1.399 0.030 . 1 . . . . 36 ALA HB . 10301 1 332 . 1 1 36 36 ALA C C 13 176.822 0.300 . 1 . . . . 36 ALA C . 10301 1 333 . 1 1 36 36 ALA CA C 13 51.702 0.300 . 1 . . . . 36 ALA CA . 10301 1 334 . 1 1 36 36 ALA CB C 13 19.218 0.300 . 1 . . . . 36 ALA CB . 10301 1 335 . 1 1 36 36 ALA N N 15 129.840 0.300 . 1 . . . . 36 ALA N . 10301 1 336 . 1 1 37 37 LEU H H 1 8.536 0.030 . 1 . . . . 37 LEU H . 10301 1 337 . 1 1 37 37 LEU HA H 1 4.777 0.030 . 1 . . . . 37 LEU HA . 10301 1 338 . 1 1 37 37 LEU HB2 H 1 1.679 0.030 . 2 . . . . 37 LEU HB2 . 10301 1 339 . 1 1 37 37 LEU HB3 H 1 1.088 0.030 . 2 . . . . 37 LEU HB3 . 10301 1 340 . 1 1 37 37 LEU HD11 H 1 0.488 0.030 . 1 . . . . 37 LEU HD1 . 10301 1 341 . 1 1 37 37 LEU HD12 H 1 0.488 0.030 . 1 . . . . 37 LEU HD1 . 10301 1 342 . 1 1 37 37 LEU HD13 H 1 0.488 0.030 . 1 . . . . 37 LEU HD1 . 10301 1 343 . 1 1 37 37 LEU HD21 H 1 0.539 0.030 . 1 . . . . 37 LEU HD2 . 10301 1 344 . 1 1 37 37 LEU HD22 H 1 0.539 0.030 . 1 . . . . 37 LEU HD2 . 10301 1 345 . 1 1 37 37 LEU HD23 H 1 0.539 0.030 . 1 . . . . 37 LEU HD2 . 10301 1 346 . 1 1 37 37 LEU HG H 1 1.375 0.030 . 1 . . . . 37 LEU HG . 10301 1 347 . 1 1 37 37 LEU C C 13 175.959 0.300 . 1 . . . . 37 LEU C . 10301 1 348 . 1 1 37 37 LEU CA C 13 53.783 0.300 . 1 . . . . 37 LEU CA . 10301 1 349 . 1 1 37 37 LEU CB C 13 46.471 0.300 . 1 . . . . 37 LEU CB . 10301 1 350 . 1 1 37 37 LEU CD1 C 13 25.235 0.300 . 2 . . . . 37 LEU CD1 . 10301 1 351 . 1 1 37 37 LEU CD2 C 13 24.236 0.300 . 2 . . . . 37 LEU CD2 . 10301 1 352 . 1 1 37 37 LEU CG C 13 25.894 0.300 . 1 . . . . 37 LEU CG . 10301 1 353 . 1 1 37 37 LEU N N 15 119.257 0.300 . 1 . . . . 37 LEU N . 10301 1 354 . 1 1 38 38 GLU H H 1 8.948 0.030 . 1 . . . . 38 GLU H . 10301 1 355 . 1 1 38 38 GLU HA H 1 4.450 0.030 . 1 . . . . 38 GLU HA . 10301 1 356 . 1 1 38 38 GLU HB2 H 1 1.935 0.030 . 2 . . . . 38 GLU HB2 . 10301 1 357 . 1 1 38 38 GLU HB3 H 1 1.758 0.030 . 2 . . . . 38 GLU HB3 . 10301 1 358 . 1 1 38 38 GLU HG2 H 1 2.356 0.030 . 2 . . . . 38 GLU HG2 . 10301 1 359 . 1 1 38 38 GLU HG3 H 1 2.175 0.030 . 2 . . . . 38 GLU HG3 . 10301 1 360 . 1 1 38 38 GLU C C 13 175.724 0.300 . 1 . . . . 38 GLU C . 10301 1 361 . 1 1 38 38 GLU CA C 13 53.519 0.300 . 1 . . . . 38 GLU CA . 10301 1 362 . 1 1 38 38 GLU CB C 13 31.292 0.300 . 1 . . . . 38 GLU CB . 10301 1 363 . 1 1 38 38 GLU CG C 13 35.690 0.300 . 1 . . . . 38 GLU CG . 10301 1 364 . 1 1 38 38 GLU N N 15 123.623 0.300 . 1 . . . . 38 GLU N . 10301 1 365 . 1 1 39 39 VAL H H 1 9.019 0.030 . 1 . . . . 39 VAL H . 10301 1 366 . 1 1 39 39 VAL HA H 1 2.933 0.030 . 1 . . . . 39 VAL HA . 10301 1 367 . 1 1 39 39 VAL HB H 1 1.827 0.030 . 1 . . . . 39 VAL HB . 10301 1 368 . 1 1 39 39 VAL HG11 H 1 0.784 0.030 . 1 . . . . 39 VAL HG1 . 10301 1 369 . 1 1 39 39 VAL HG12 H 1 0.784 0.030 . 1 . . . . 39 VAL HG1 . 10301 1 370 . 1 1 39 39 VAL HG13 H 1 0.784 0.030 . 1 . . . . 39 VAL HG1 . 10301 1 371 . 1 1 39 39 VAL HG21 H 1 0.824 0.030 . 1 . . . . 39 VAL HG2 . 10301 1 372 . 1 1 39 39 VAL HG22 H 1 0.824 0.030 . 1 . . . . 39 VAL HG2 . 10301 1 373 . 1 1 39 39 VAL HG23 H 1 0.824 0.030 . 1 . . . . 39 VAL HG2 . 10301 1 374 . 1 1 39 39 VAL C C 13 177.949 0.300 . 1 . . . . 39 VAL C . 10301 1 375 . 1 1 39 39 VAL CA C 13 65.985 0.300 . 1 . . . . 39 VAL CA . 10301 1 376 . 1 1 39 39 VAL CB C 13 30.692 0.300 . 1 . . . . 39 VAL CB . 10301 1 377 . 1 1 39 39 VAL CG1 C 13 22.844 0.300 . 2 . . . . 39 VAL CG1 . 10301 1 378 . 1 1 39 39 VAL CG2 C 13 21.361 0.300 . 2 . . . . 39 VAL CG2 . 10301 1 379 . 1 1 39 39 VAL N N 15 122.089 0.300 . 1 . . . . 39 VAL N . 10301 1 380 . 1 1 40 40 GLY H H 1 8.816 0.030 . 1 . . . . 40 GLY H . 10301 1 381 . 1 1 40 40 GLY HA2 H 1 4.493 0.030 . 2 . . . . 40 GLY HA2 . 10301 1 382 . 1 1 40 40 GLY HA3 H 1 3.407 0.030 . 2 . . . . 40 GLY HA3 . 10301 1 383 . 1 1 40 40 GLY C C 13 174.317 0.300 . 1 . . . . 40 GLY C . 10301 1 384 . 1 1 40 40 GLY CA C 13 44.649 0.300 . 1 . . . . 40 GLY CA . 10301 1 385 . 1 1 40 40 GLY N N 15 116.118 0.300 . 1 . . . . 40 GLY N . 10301 1 386 . 1 1 41 41 ASP H H 1 8.185 0.030 . 1 . . . . 41 ASP H . 10301 1 387 . 1 1 41 41 ASP HA H 1 4.414 0.030 . 1 . . . . 41 ASP HA . 10301 1 388 . 1 1 41 41 ASP HB2 H 1 2.646 0.030 . 2 . . . . 41 ASP HB2 . 10301 1 389 . 1 1 41 41 ASP HB3 H 1 2.347 0.030 . 2 . . . . 41 ASP HB3 . 10301 1 390 . 1 1 41 41 ASP C C 13 175.329 0.300 . 1 . . . . 41 ASP C . 10301 1 391 . 1 1 41 41 ASP CA C 13 55.934 0.300 . 1 . . . . 41 ASP CA . 10301 1 392 . 1 1 41 41 ASP CB C 13 41.852 0.300 . 1 . . . . 41 ASP CB . 10301 1 393 . 1 1 41 41 ASP N N 15 121.906 0.300 . 1 . . . . 41 ASP N . 10301 1 394 . 1 1 42 42 ILE H H 1 8.555 0.030 . 1 . . . . 42 ILE H . 10301 1 395 . 1 1 42 42 ILE HA H 1 4.698 0.030 . 1 . . . . 42 ILE HA . 10301 1 396 . 1 1 42 42 ILE HB H 1 2.037 0.030 . 1 . . . . 42 ILE HB . 10301 1 397 . 1 1 42 42 ILE HD11 H 1 0.822 0.030 . 1 . . . . 42 ILE HD1 . 10301 1 398 . 1 1 42 42 ILE HD12 H 1 0.822 0.030 . 1 . . . . 42 ILE HD1 . 10301 1 399 . 1 1 42 42 ILE HD13 H 1 0.822 0.030 . 1 . . . . 42 ILE HD1 . 10301 1 400 . 1 1 42 42 ILE HG12 H 1 1.680 0.030 . 2 . . . . 42 ILE HG12 . 10301 1 401 . 1 1 42 42 ILE HG13 H 1 1.297 0.030 . 2 . . . . 42 ILE HG13 . 10301 1 402 . 1 1 42 42 ILE HG21 H 1 1.086 0.030 . 1 . . . . 42 ILE HG2 . 10301 1 403 . 1 1 42 42 ILE HG22 H 1 1.086 0.030 . 1 . . . . 42 ILE HG2 . 10301 1 404 . 1 1 42 42 ILE HG23 H 1 1.086 0.030 . 1 . . . . 42 ILE HG2 . 10301 1 405 . 1 1 42 42 ILE C C 13 174.934 0.300 . 1 . . . . 42 ILE C . 10301 1 406 . 1 1 42 42 ILE CA C 13 60.165 0.300 . 1 . . . . 42 ILE CA . 10301 1 407 . 1 1 42 42 ILE CB C 13 37.023 0.300 . 1 . . . . 42 ILE CB . 10301 1 408 . 1 1 42 42 ILE CD1 C 13 11.740 0.300 . 1 . . . . 42 ILE CD1 . 10301 1 409 . 1 1 42 42 ILE CG1 C 13 27.574 0.300 . 1 . . . . 42 ILE CG1 . 10301 1 410 . 1 1 42 42 ILE CG2 C 13 17.818 0.300 . 1 . . . . 42 ILE CG2 . 10301 1 411 . 1 1 42 42 ILE N N 15 121.490 0.300 . 1 . . . . 42 ILE N . 10301 1 412 . 1 1 43 43 VAL H H 1 9.499 0.030 . 1 . . . . 43 VAL H . 10301 1 413 . 1 1 43 43 VAL HA H 1 4.354 0.030 . 1 . . . . 43 VAL HA . 10301 1 414 . 1 1 43 43 VAL HB H 1 1.745 0.030 . 1 . . . . 43 VAL HB . 10301 1 415 . 1 1 43 43 VAL HG11 H 1 0.520 0.030 . 1 . . . . 43 VAL HG1 . 10301 1 416 . 1 1 43 43 VAL HG12 H 1 0.520 0.030 . 1 . . . . 43 VAL HG1 . 10301 1 417 . 1 1 43 43 VAL HG13 H 1 0.520 0.030 . 1 . . . . 43 VAL HG1 . 10301 1 418 . 1 1 43 43 VAL HG21 H 1 0.459 0.030 . 1 . . . . 43 VAL HG2 . 10301 1 419 . 1 1 43 43 VAL HG22 H 1 0.459 0.030 . 1 . . . . 43 VAL HG2 . 10301 1 420 . 1 1 43 43 VAL HG23 H 1 0.459 0.030 . 1 . . . . 43 VAL HG2 . 10301 1 421 . 1 1 43 43 VAL C C 13 175.504 0.300 . 1 . . . . 43 VAL C . 10301 1 422 . 1 1 43 43 VAL CA C 13 60.113 0.300 . 1 . . . . 43 VAL CA . 10301 1 423 . 1 1 43 43 VAL CB C 13 34.523 0.300 . 1 . . . . 43 VAL CB . 10301 1 424 . 1 1 43 43 VAL CG1 C 13 21.278 0.300 . 2 . . . . 43 VAL CG1 . 10301 1 425 . 1 1 43 43 VAL CG2 C 13 20.946 0.300 . 2 . . . . 43 VAL CG2 . 10301 1 426 . 1 1 43 43 VAL N N 15 128.923 0.300 . 1 . . . . 43 VAL N . 10301 1 427 . 1 1 44 44 LYS H H 1 8.760 0.030 . 1 . . . . 44 LYS H . 10301 1 428 . 1 1 44 44 LYS HA H 1 4.382 0.030 . 1 . . . . 44 LYS HA . 10301 1 429 . 1 1 44 44 LYS HB2 H 1 1.874 0.030 . 2 . . . . 44 LYS HB2 . 10301 1 430 . 1 1 44 44 LYS HB3 H 1 1.788 0.030 . 2 . . . . 44 LYS HB3 . 10301 1 431 . 1 1 44 44 LYS HD2 H 1 1.605 0.030 . 1 . . . . 44 LYS HD2 . 10301 1 432 . 1 1 44 44 LYS HD3 H 1 1.605 0.030 . 1 . . . . 44 LYS HD3 . 10301 1 433 . 1 1 44 44 LYS HE2 H 1 2.805 0.030 . 1 . . . . 44 LYS HE2 . 10301 1 434 . 1 1 44 44 LYS HE3 H 1 2.805 0.030 . 1 . . . . 44 LYS HE3 . 10301 1 435 . 1 1 44 44 LYS HG2 H 1 0.881 0.030 . 1 . . . . 44 LYS HG2 . 10301 1 436 . 1 1 44 44 LYS HG3 H 1 0.881 0.030 . 1 . . . . 44 LYS HG3 . 10301 1 437 . 1 1 44 44 LYS C C 13 175.468 0.300 . 1 . . . . 44 LYS C . 10301 1 438 . 1 1 44 44 LYS CA C 13 55.581 0.300 . 1 . . . . 44 LYS CA . 10301 1 439 . 1 1 44 44 LYS CB C 13 33.103 0.300 . 1 . . . . 44 LYS CB . 10301 1 440 . 1 1 44 44 LYS CD C 13 29.603 0.300 . 1 . . . . 44 LYS CD . 10301 1 441 . 1 1 44 44 LYS CE C 13 42.017 0.300 . 1 . . . . 44 LYS CE . 10301 1 442 . 1 1 44 44 LYS CG C 13 24.987 0.300 . 1 . . . . 44 LYS CG . 10301 1 443 . 1 1 44 44 LYS N N 15 128.243 0.300 . 1 . . . . 44 LYS N . 10301 1 444 . 1 1 45 45 VAL H H 1 9.102 0.030 . 1 . . . . 45 VAL H . 10301 1 445 . 1 1 45 45 VAL HA H 1 4.332 0.030 . 1 . . . . 45 VAL HA . 10301 1 446 . 1 1 45 45 VAL HB H 1 2.024 0.030 . 1 . . . . 45 VAL HB . 10301 1 447 . 1 1 45 45 VAL HG11 H 1 1.106 0.030 . 1 . . . . 45 VAL HG1 . 10301 1 448 . 1 1 45 45 VAL HG12 H 1 1.106 0.030 . 1 . . . . 45 VAL HG1 . 10301 1 449 . 1 1 45 45 VAL HG13 H 1 1.106 0.030 . 1 . . . . 45 VAL HG1 . 10301 1 450 . 1 1 45 45 VAL HG21 H 1 0.745 0.030 . 1 . . . . 45 VAL HG2 . 10301 1 451 . 1 1 45 45 VAL HG22 H 1 0.745 0.030 . 1 . . . . 45 VAL HG2 . 10301 1 452 . 1 1 45 45 VAL HG23 H 1 0.745 0.030 . 1 . . . . 45 VAL HG2 . 10301 1 453 . 1 1 45 45 VAL C C 13 176.116 0.300 . 1 . . . . 45 VAL C . 10301 1 454 . 1 1 45 45 VAL CA C 13 63.605 0.300 . 1 . . . . 45 VAL CA . 10301 1 455 . 1 1 45 45 VAL CB C 13 31.457 0.300 . 1 . . . . 45 VAL CB . 10301 1 456 . 1 1 45 45 VAL CG1 C 13 22.103 0.300 . 2 . . . . 45 VAL CG1 . 10301 1 457 . 1 1 45 45 VAL CG2 C 13 22.265 0.300 . 2 . . . . 45 VAL CG2 . 10301 1 458 . 1 1 45 45 VAL N N 15 129.660 0.300 . 1 . . . . 45 VAL N . 10301 1 459 . 1 1 46 46 THR H H 1 9.153 0.030 . 1 . . . . 46 THR H . 10301 1 460 . 1 1 46 46 THR HA H 1 4.312 0.030 . 1 . . . . 46 THR HA . 10301 1 461 . 1 1 46 46 THR HB H 1 4.195 0.030 . 1 . . . . 46 THR HB . 10301 1 462 . 1 1 46 46 THR HG21 H 1 1.093 0.030 . 1 . . . . 46 THR HG2 . 10301 1 463 . 1 1 46 46 THR HG22 H 1 1.093 0.030 . 1 . . . . 46 THR HG2 . 10301 1 464 . 1 1 46 46 THR HG23 H 1 1.093 0.030 . 1 . . . . 46 THR HG2 . 10301 1 465 . 1 1 46 46 THR C C 13 176.062 0.300 . 1 . . . . 46 THR C . 10301 1 466 . 1 1 46 46 THR CA C 13 62.581 0.300 . 1 . . . . 46 THR CA . 10301 1 467 . 1 1 46 46 THR CB C 13 68.720 0.300 . 1 . . . . 46 THR CB . 10301 1 468 . 1 1 46 46 THR CG2 C 13 22.513 0.300 . 1 . . . . 46 THR CG2 . 10301 1 469 . 1 1 46 46 THR N N 15 119.962 0.300 . 1 . . . . 46 THR N . 10301 1 470 . 1 1 47 47 ARG H H 1 7.643 0.030 . 1 . . . . 47 ARG H . 10301 1 471 . 1 1 47 47 ARG HA H 1 4.271 0.030 . 1 . . . . 47 ARG HA . 10301 1 472 . 1 1 47 47 ARG HB2 H 1 1.744 0.030 . 2 . . . . 47 ARG HB2 . 10301 1 473 . 1 1 47 47 ARG HB3 H 1 1.618 0.030 . 2 . . . . 47 ARG HB3 . 10301 1 474 . 1 1 47 47 ARG HD2 H 1 3.161 0.030 . 1 . . . . 47 ARG HD2 . 10301 1 475 . 1 1 47 47 ARG HD3 H 1 3.161 0.030 . 1 . . . . 47 ARG HD3 . 10301 1 476 . 1 1 47 47 ARG HG2 H 1 1.499 0.030 . 2 . . . . 47 ARG HG2 . 10301 1 477 . 1 1 47 47 ARG HG3 H 1 1.429 0.030 . 2 . . . . 47 ARG HG3 . 10301 1 478 . 1 1 47 47 ARG C C 13 174.300 0.300 . 1 . . . . 47 ARG C . 10301 1 479 . 1 1 47 47 ARG CA C 13 57.173 0.300 . 1 . . . . 47 ARG CA . 10301 1 480 . 1 1 47 47 ARG CB C 13 33.873 0.300 . 1 . . . . 47 ARG CB . 10301 1 481 . 1 1 47 47 ARG CD C 13 43.553 0.300 . 1 . . . . 47 ARG CD . 10301 1 482 . 1 1 47 47 ARG CG C 13 27.460 0.300 . 1 . . . . 47 ARG CG . 10301 1 483 . 1 1 47 47 ARG N N 15 120.845 0.300 . 1 . . . . 47 ARG N . 10301 1 484 . 1 1 48 48 MET H H 1 8.578 0.030 . 1 . . . . 48 MET H . 10301 1 485 . 1 1 48 48 MET HA H 1 3.197 0.030 . 1 . . . . 48 MET HA . 10301 1 486 . 1 1 48 48 MET HB2 H 1 1.334 0.030 . 2 . . . . 48 MET HB2 . 10301 1 487 . 1 1 48 48 MET HB3 H 1 1.070 0.030 . 2 . . . . 48 MET HB3 . 10301 1 488 . 1 1 48 48 MET HE1 H 1 1.530 0.030 . 1 . . . . 48 MET HE . 10301 1 489 . 1 1 48 48 MET HE2 H 1 1.530 0.030 . 1 . . . . 48 MET HE . 10301 1 490 . 1 1 48 48 MET HE3 H 1 1.530 0.030 . 1 . . . . 48 MET HE . 10301 1 491 . 1 1 48 48 MET HG2 H 1 1.393 0.030 . 2 . . . . 48 MET HG2 . 10301 1 492 . 1 1 48 48 MET HG3 H 1 0.136 0.030 . 2 . . . . 48 MET HG3 . 10301 1 493 . 1 1 48 48 MET C C 13 174.388 0.300 . 1 . . . . 48 MET C . 10301 1 494 . 1 1 48 48 MET CA C 13 53.994 0.300 . 1 . . . . 48 MET CA . 10301 1 495 . 1 1 48 48 MET CB C 13 32.700 0.300 . 1 . . . . 48 MET CB . 10301 1 496 . 1 1 48 48 MET CE C 13 17.208 0.300 . 1 . . . . 48 MET CE . 10301 1 497 . 1 1 48 48 MET CG C 13 31.321 0.300 . 1 . . . . 48 MET CG . 10301 1 498 . 1 1 48 48 MET N N 15 125.958 0.300 . 1 . . . . 48 MET N . 10301 1 499 . 1 1 49 49 ASN H H 1 6.603 0.030 . 1 . . . . 49 ASN H . 10301 1 500 . 1 1 49 49 ASN HA H 1 4.657 0.030 . 1 . . . . 49 ASN HA . 10301 1 501 . 1 1 49 49 ASN HB2 H 1 2.934 0.030 . 2 . . . . 49 ASN HB2 . 10301 1 502 . 1 1 49 49 ASN HB3 H 1 2.810 0.030 . 2 . . . . 49 ASN HB3 . 10301 1 503 . 1 1 49 49 ASN HD21 H 1 7.847 0.030 . 2 . . . . 49 ASN HD21 . 10301 1 504 . 1 1 49 49 ASN HD22 H 1 7.265 0.030 . 2 . . . . 49 ASN HD22 . 10301 1 505 . 1 1 49 49 ASN C C 13 174.404 0.300 . 1 . . . . 49 ASN C . 10301 1 506 . 1 1 49 49 ASN CA C 13 53.683 0.300 . 1 . . . . 49 ASN CA . 10301 1 507 . 1 1 49 49 ASN CB C 13 39.784 0.300 . 1 . . . . 49 ASN CB . 10301 1 508 . 1 1 49 49 ASN N N 15 119.331 0.300 . 1 . . . . 49 ASN N . 10301 1 509 . 1 1 49 49 ASN ND2 N 15 114.176 0.300 . 1 . . . . 49 ASN ND2 . 10301 1 510 . 1 1 50 50 ILE H H 1 7.302 0.030 . 1 . . . . 50 ILE H . 10301 1 511 . 1 1 50 50 ILE HA H 1 4.132 0.030 . 1 . . . . 50 ILE HA . 10301 1 512 . 1 1 50 50 ILE HB H 1 1.939 0.030 . 1 . . . . 50 ILE HB . 10301 1 513 . 1 1 50 50 ILE HD11 H 1 0.855 0.030 . 1 . . . . 50 ILE HD1 . 10301 1 514 . 1 1 50 50 ILE HD12 H 1 0.855 0.030 . 1 . . . . 50 ILE HD1 . 10301 1 515 . 1 1 50 50 ILE HD13 H 1 0.855 0.030 . 1 . . . . 50 ILE HD1 . 10301 1 516 . 1 1 50 50 ILE HG12 H 1 1.416 0.030 . 2 . . . . 50 ILE HG12 . 10301 1 517 . 1 1 50 50 ILE HG13 H 1 1.271 0.030 . 2 . . . . 50 ILE HG13 . 10301 1 518 . 1 1 50 50 ILE HG21 H 1 0.958 0.030 . 1 . . . . 50 ILE HG2 . 10301 1 519 . 1 1 50 50 ILE HG22 H 1 0.958 0.030 . 1 . . . . 50 ILE HG2 . 10301 1 520 . 1 1 50 50 ILE HG23 H 1 0.958 0.030 . 1 . . . . 50 ILE HG2 . 10301 1 521 . 1 1 50 50 ILE C C 13 176.135 0.300 . 1 . . . . 50 ILE C . 10301 1 522 . 1 1 50 50 ILE CA C 13 62.613 0.300 . 1 . . . . 50 ILE CA . 10301 1 523 . 1 1 50 50 ILE CB C 13 38.176 0.300 . 1 . . . . 50 ILE CB . 10301 1 524 . 1 1 50 50 ILE CD1 C 13 13.705 0.300 . 1 . . . . 50 ILE CD1 . 10301 1 525 . 1 1 50 50 ILE CG1 C 13 27.626 0.300 . 1 . . . . 50 ILE CG1 . 10301 1 526 . 1 1 50 50 ILE CG2 C 13 17.800 0.300 . 1 . . . . 50 ILE CG2 . 10301 1 527 . 1 1 51 51 ASN H H 1 8.363 0.030 . 1 . . . . 51 ASN H . 10301 1 528 . 1 1 51 51 ASN HA H 1 4.537 0.030 . 1 . . . . 51 ASN HA . 10301 1 529 . 1 1 51 51 ASN HB2 H 1 3.118 0.030 . 2 . . . . 51 ASN HB2 . 10301 1 530 . 1 1 51 51 ASN HB3 H 1 2.849 0.030 . 2 . . . . 51 ASN HB3 . 10301 1 531 . 1 1 51 51 ASN HD21 H 1 7.399 0.030 . 2 . . . . 51 ASN HD21 . 10301 1 532 . 1 1 51 51 ASN HD22 H 1 6.789 0.030 . 2 . . . . 51 ASN HD22 . 10301 1 533 . 1 1 51 51 ASN C C 13 176.293 0.300 . 1 . . . . 51 ASN C . 10301 1 534 . 1 1 51 51 ASN CA C 13 53.201 0.300 . 1 . . . . 51 ASN CA . 10301 1 535 . 1 1 51 51 ASN CB C 13 37.472 0.300 . 1 . . . . 51 ASN CB . 10301 1 536 . 1 1 51 51 ASN N N 15 119.647 0.300 . 1 . . . . 51 ASN N . 10301 1 537 . 1 1 51 51 ASN ND2 N 15 109.267 0.300 . 1 . . . . 51 ASN ND2 . 10301 1 538 . 1 1 52 52 GLY H H 1 8.143 0.030 . 1 . . . . 52 GLY H . 10301 1 539 . 1 1 52 52 GLY HA2 H 1 4.264 0.030 . 2 . . . . 52 GLY HA2 . 10301 1 540 . 1 1 52 52 GLY HA3 H 1 3.662 0.030 . 2 . . . . 52 GLY HA3 . 10301 1 541 . 1 1 52 52 GLY C C 13 173.249 0.300 . 1 . . . . 52 GLY C . 10301 1 542 . 1 1 52 52 GLY CA C 13 45.619 0.300 . 1 . . . . 52 GLY CA . 10301 1 543 . 1 1 52 52 GLY N N 15 107.238 0.300 . 1 . . . . 52 GLY N . 10301 1 544 . 1 1 53 53 GLN H H 1 8.106 0.030 . 1 . . . . 53 GLN H . 10301 1 545 . 1 1 53 53 GLN HA H 1 4.579 0.030 . 1 . . . . 53 GLN HA . 10301 1 546 . 1 1 53 53 GLN HB2 H 1 1.956 0.030 . 1 . . . . 53 GLN HB2 . 10301 1 547 . 1 1 53 53 GLN HB3 H 1 1.956 0.030 . 1 . . . . 53 GLN HB3 . 10301 1 548 . 1 1 53 53 GLN HE21 H 1 7.331 0.030 . 2 . . . . 53 GLN HE21 . 10301 1 549 . 1 1 53 53 GLN HE22 H 1 6.467 0.030 . 2 . . . . 53 GLN HE22 . 10301 1 550 . 1 1 53 53 GLN HG2 H 1 2.239 0.030 . 2 . . . . 53 GLN HG2 . 10301 1 551 . 1 1 53 53 GLN HG3 H 1 1.968 0.030 . 2 . . . . 53 GLN HG3 . 10301 1 552 . 1 1 53 53 GLN C C 13 175.066 0.300 . 1 . . . . 53 GLN C . 10301 1 553 . 1 1 53 53 GLN CA C 13 54.453 0.300 . 1 . . . . 53 GLN CA . 10301 1 554 . 1 1 53 53 GLN CB C 13 28.516 0.300 . 1 . . . . 53 GLN CB . 10301 1 555 . 1 1 53 53 GLN CG C 13 33.641 0.300 . 1 . . . . 53 GLN CG . 10301 1 556 . 1 1 53 53 GLN N N 15 120.813 0.300 . 1 . . . . 53 GLN N . 10301 1 557 . 1 1 53 53 GLN NE2 N 15 110.764 0.300 . 1 . . . . 53 GLN NE2 . 10301 1 558 . 1 1 54 54 TRP H H 1 8.455 0.030 . 1 . . . . 54 TRP H . 10301 1 559 . 1 1 54 54 TRP HA H 1 4.886 0.030 . 1 . . . . 54 TRP HA . 10301 1 560 . 1 1 54 54 TRP HB2 H 1 2.845 0.030 . 2 . . . . 54 TRP HB2 . 10301 1 561 . 1 1 54 54 TRP HB3 H 1 2.086 0.030 . 2 . . . . 54 TRP HB3 . 10301 1 562 . 1 1 54 54 TRP HD1 H 1 6.986 0.030 . 1 . . . . 54 TRP HD1 . 10301 1 563 . 1 1 54 54 TRP HE1 H 1 9.830 0.030 . 1 . . . . 54 TRP HE1 . 10301 1 564 . 1 1 54 54 TRP HE3 H 1 7.479 0.030 . 1 . . . . 54 TRP HE3 . 10301 1 565 . 1 1 54 54 TRP HH2 H 1 7.272 0.030 . 1 . . . . 54 TRP HH2 . 10301 1 566 . 1 1 54 54 TRP HZ2 H 1 7.246 0.030 . 1 . . . . 54 TRP HZ2 . 10301 1 567 . 1 1 54 54 TRP HZ3 H 1 6.917 0.030 . 1 . . . . 54 TRP HZ3 . 10301 1 568 . 1 1 54 54 TRP C C 13 172.798 0.300 . 1 . . . . 54 TRP C . 10301 1 569 . 1 1 54 54 TRP CA C 13 54.470 0.300 . 1 . . . . 54 TRP CA . 10301 1 570 . 1 1 54 54 TRP CB C 13 32.025 0.300 . 1 . . . . 54 TRP CB . 10301 1 571 . 1 1 54 54 TRP CD1 C 13 122.386 0.300 . 1 . . . . 54 TRP CD1 . 10301 1 572 . 1 1 54 54 TRP CE3 C 13 120.851 0.300 . 1 . . . . 54 TRP CE3 . 10301 1 573 . 1 1 54 54 TRP CH2 C 13 125.679 0.300 . 1 . . . . 54 TRP CH2 . 10301 1 574 . 1 1 54 54 TRP CZ2 C 13 115.320 0.300 . 1 . . . . 54 TRP CZ2 . 10301 1 575 . 1 1 54 54 TRP CZ3 C 13 121.048 0.300 . 1 . . . . 54 TRP CZ3 . 10301 1 576 . 1 1 54 54 TRP N N 15 125.686 0.300 . 1 . . . . 54 TRP N . 10301 1 577 . 1 1 54 54 TRP NE1 N 15 127.340 0.300 . 1 . . . . 54 TRP NE1 . 10301 1 578 . 1 1 55 55 GLU H H 1 8.630 0.030 . 1 . . . . 55 GLU H . 10301 1 579 . 1 1 55 55 GLU HA H 1 5.215 0.030 . 1 . . . . 55 GLU HA . 10301 1 580 . 1 1 55 55 GLU HB2 H 1 2.061 0.030 . 2 . . . . 55 GLU HB2 . 10301 1 581 . 1 1 55 55 GLU HB3 H 1 1.741 0.030 . 2 . . . . 55 GLU HB3 . 10301 1 582 . 1 1 55 55 GLU HG2 H 1 2.197 0.030 . 2 . . . . 55 GLU HG2 . 10301 1 583 . 1 1 55 55 GLU HG3 H 1 2.087 0.030 . 2 . . . . 55 GLU HG3 . 10301 1 584 . 1 1 55 55 GLU C C 13 176.514 0.300 . 1 . . . . 55 GLU C . 10301 1 585 . 1 1 55 55 GLU CA C 13 54.236 0.300 . 1 . . . . 55 GLU CA . 10301 1 586 . 1 1 55 55 GLU CB C 13 33.656 0.300 . 1 . . . . 55 GLU CB . 10301 1 587 . 1 1 55 55 GLU CG C 13 37.243 0.300 . 1 . . . . 55 GLU CG . 10301 1 588 . 1 1 55 55 GLU N N 15 118.751 0.300 . 1 . . . . 55 GLU N . 10301 1 589 . 1 1 56 56 GLY H H 1 9.086 0.030 . 1 . . . . 56 GLY H . 10301 1 590 . 1 1 56 56 GLY HA2 H 1 5.164 0.030 . 2 . . . . 56 GLY HA2 . 10301 1 591 . 1 1 56 56 GLY HA3 H 1 4.136 0.030 . 2 . . . . 56 GLY HA3 . 10301 1 592 . 1 1 56 56 GLY C C 13 170.788 0.300 . 1 . . . . 56 GLY C . 10301 1 593 . 1 1 56 56 GLY CA C 13 46.771 0.300 . 1 . . . . 56 GLY CA . 10301 1 594 . 1 1 56 56 GLY N N 15 111.414 0.300 . 1 . . . . 56 GLY N . 10301 1 595 . 1 1 57 57 GLU H H 1 8.810 0.030 . 1 . . . . 57 GLU H . 10301 1 596 . 1 1 57 57 GLU HA H 1 5.777 0.030 . 1 . . . . 57 GLU HA . 10301 1 597 . 1 1 57 57 GLU HB2 H 1 1.991 0.030 . 2 . . . . 57 GLU HB2 . 10301 1 598 . 1 1 57 57 GLU HB3 H 1 1.882 0.030 . 2 . . . . 57 GLU HB3 . 10301 1 599 . 1 1 57 57 GLU HG2 H 1 2.146 0.030 . 2 . . . . 57 GLU HG2 . 10301 1 600 . 1 1 57 57 GLU HG3 H 1 2.111 0.030 . 2 . . . . 57 GLU HG3 . 10301 1 601 . 1 1 57 57 GLU C C 13 176.036 0.300 . 1 . . . . 57 GLU C . 10301 1 602 . 1 1 57 57 GLU CA C 13 54.135 0.300 . 1 . . . . 57 GLU CA . 10301 1 603 . 1 1 57 57 GLU CB C 13 34.631 0.300 . 1 . . . . 57 GLU CB . 10301 1 604 . 1 1 57 57 GLU CG C 13 36.196 0.300 . 1 . . . . 57 GLU CG . 10301 1 605 . 1 1 57 57 GLU N N 15 117.509 0.300 . 1 . . . . 57 GLU N . 10301 1 606 . 1 1 58 58 VAL H H 1 8.882 0.030 . 1 . . . . 58 VAL H . 10301 1 607 . 1 1 58 58 VAL HA H 1 4.472 0.030 . 1 . . . . 58 VAL HA . 10301 1 608 . 1 1 58 58 VAL HB H 1 1.991 0.030 . 1 . . . . 58 VAL HB . 10301 1 609 . 1 1 58 58 VAL HG11 H 1 0.933 0.030 . 1 . . . . 58 VAL HG1 . 10301 1 610 . 1 1 58 58 VAL HG12 H 1 0.933 0.030 . 1 . . . . 58 VAL HG1 . 10301 1 611 . 1 1 58 58 VAL HG13 H 1 0.933 0.030 . 1 . . . . 58 VAL HG1 . 10301 1 612 . 1 1 58 58 VAL HG21 H 1 0.931 0.030 . 1 . . . . 58 VAL HG2 . 10301 1 613 . 1 1 58 58 VAL HG22 H 1 0.931 0.030 . 1 . . . . 58 VAL HG2 . 10301 1 614 . 1 1 58 58 VAL HG23 H 1 0.931 0.030 . 1 . . . . 58 VAL HG2 . 10301 1 615 . 1 1 58 58 VAL C C 13 175.222 0.300 . 1 . . . . 58 VAL C . 10301 1 616 . 1 1 58 58 VAL CA C 13 61.330 0.300 . 1 . . . . 58 VAL CA . 10301 1 617 . 1 1 58 58 VAL CB C 13 34.631 0.300 . 1 . . . . 58 VAL CB . 10301 1 618 . 1 1 58 58 VAL CG1 C 13 20.366 0.300 . 2 . . . . 58 VAL CG1 . 10301 1 619 . 1 1 58 58 VAL CG2 C 13 22.510 0.300 . 2 . . . . 58 VAL CG2 . 10301 1 620 . 1 1 58 58 VAL N N 15 123.735 0.300 . 1 . . . . 58 VAL N . 10301 1 621 . 1 1 59 59 ASN H H 1 9.377 0.030 . 1 . . . . 59 ASN H . 10301 1 622 . 1 1 59 59 ASN HA H 1 4.451 0.030 . 1 . . . . 59 ASN HA . 10301 1 623 . 1 1 59 59 ASN HB2 H 1 3.129 0.030 . 2 . . . . 59 ASN HB2 . 10301 1 624 . 1 1 59 59 ASN HB3 H 1 2.780 0.030 . 2 . . . . 59 ASN HB3 . 10301 1 625 . 1 1 59 59 ASN HD21 H 1 7.622 0.030 . 2 . . . . 59 ASN HD21 . 10301 1 626 . 1 1 59 59 ASN HD22 H 1 6.992 0.030 . 2 . . . . 59 ASN HD22 . 10301 1 627 . 1 1 59 59 ASN C C 13 175.199 0.300 . 1 . . . . 59 ASN C . 10301 1 628 . 1 1 59 59 ASN CA C 13 54.416 0.300 . 1 . . . . 59 ASN CA . 10301 1 629 . 1 1 59 59 ASN CB C 13 37.864 0.300 . 1 . . . . 59 ASN CB . 10301 1 630 . 1 1 59 59 ASN N N 15 126.051 0.300 . 1 . . . . 59 ASN N . 10301 1 631 . 1 1 59 59 ASN ND2 N 15 113.327 0.300 . 1 . . . . 59 ASN ND2 . 10301 1 632 . 1 1 60 60 GLY H H 1 8.816 0.030 . 1 . . . . 60 GLY H . 10301 1 633 . 1 1 60 60 GLY HA2 H 1 4.207 0.030 . 2 . . . . 60 GLY HA2 . 10301 1 634 . 1 1 60 60 GLY HA3 H 1 3.665 0.030 . 2 . . . . 60 GLY HA3 . 10301 1 635 . 1 1 60 60 GLY C C 13 173.964 0.300 . 1 . . . . 60 GLY C . 10301 1 636 . 1 1 60 60 GLY CA C 13 45.648 0.300 . 1 . . . . 60 GLY CA . 10301 1 637 . 1 1 60 60 GLY N N 15 104.538 0.300 . 1 . . . . 60 GLY N . 10301 1 638 . 1 1 61 61 ARG H H 1 8.188 0.030 . 1 . . . . 61 ARG H . 10301 1 639 . 1 1 61 61 ARG HA H 1 4.597 0.030 . 1 . . . . 61 ARG HA . 10301 1 640 . 1 1 61 61 ARG HB2 H 1 1.996 0.030 . 2 . . . . 61 ARG HB2 . 10301 1 641 . 1 1 61 61 ARG HB3 H 1 1.812 0.030 . 2 . . . . 61 ARG HB3 . 10301 1 642 . 1 1 61 61 ARG HD2 H 1 3.331 0.030 . 1 . . . . 61 ARG HD2 . 10301 1 643 . 1 1 61 61 ARG HD3 H 1 3.331 0.030 . 1 . . . . 61 ARG HD3 . 10301 1 644 . 1 1 61 61 ARG HG2 H 1 1.680 0.030 . 2 . . . . 61 ARG HG2 . 10301 1 645 . 1 1 61 61 ARG HG3 H 1 1.640 0.030 . 2 . . . . 61 ARG HG3 . 10301 1 646 . 1 1 61 61 ARG C C 13 174.421 0.300 . 1 . . . . 61 ARG C . 10301 1 647 . 1 1 61 61 ARG CA C 13 55.317 0.300 . 1 . . . . 61 ARG CA . 10301 1 648 . 1 1 61 61 ARG CB C 13 31.768 0.300 . 1 . . . . 61 ARG CB . 10301 1 649 . 1 1 61 61 ARG CD C 13 43.366 0.300 . 1 . . . . 61 ARG CD . 10301 1 650 . 1 1 61 61 ARG CG C 13 28.037 0.300 . 1 . . . . 61 ARG CG . 10301 1 651 . 1 1 61 61 ARG N N 15 122.615 0.300 . 1 . . . . 61 ARG N . 10301 1 652 . 1 1 62 62 LYS H H 1 8.492 0.030 . 1 . . . . 62 LYS H . 10301 1 653 . 1 1 62 62 LYS HA H 1 5.584 0.030 . 1 . . . . 62 LYS HA . 10301 1 654 . 1 1 62 62 LYS HB2 H 1 1.858 0.030 . 2 . . . . 62 LYS HB2 . 10301 1 655 . 1 1 62 62 LYS HB3 H 1 1.719 0.030 . 2 . . . . 62 LYS HB3 . 10301 1 656 . 1 1 62 62 LYS HD2 H 1 1.657 0.030 . 1 . . . . 62 LYS HD2 . 10301 1 657 . 1 1 62 62 LYS HD3 H 1 1.657 0.030 . 1 . . . . 62 LYS HD3 . 10301 1 658 . 1 1 62 62 LYS HE2 H 1 2.913 0.030 . 1 . . . . 62 LYS HE2 . 10301 1 659 . 1 1 62 62 LYS HE3 H 1 2.913 0.030 . 1 . . . . 62 LYS HE3 . 10301 1 660 . 1 1 62 62 LYS HG2 H 1 1.400 0.030 . 2 . . . . 62 LYS HG2 . 10301 1 661 . 1 1 62 62 LYS HG3 H 1 1.343 0.030 . 2 . . . . 62 LYS HG3 . 10301 1 662 . 1 1 62 62 LYS C C 13 176.878 0.300 . 1 . . . . 62 LYS C . 10301 1 663 . 1 1 62 62 LYS CA C 13 54.679 0.300 . 1 . . . . 62 LYS CA . 10301 1 664 . 1 1 62 62 LYS CB C 13 36.133 0.300 . 1 . . . . 62 LYS CB . 10301 1 665 . 1 1 62 62 LYS CD C 13 29.617 0.300 . 1 . . . . 62 LYS CD . 10301 1 666 . 1 1 62 62 LYS CE C 13 42.035 0.300 . 1 . . . . 62 LYS CE . 10301 1 667 . 1 1 62 62 LYS CG C 13 24.968 0.300 . 1 . . . . 62 LYS CG . 10301 1 668 . 1 1 62 62 LYS N N 15 121.504 0.300 . 1 . . . . 62 LYS N . 10301 1 669 . 1 1 63 63 GLY H H 1 8.741 0.030 . 1 . . . . 63 GLY H . 10301 1 670 . 1 1 63 63 GLY HA2 H 1 4.254 0.030 . 2 . . . . 63 GLY HA2 . 10301 1 671 . 1 1 63 63 GLY HA3 H 1 4.142 0.030 . 2 . . . . 63 GLY HA3 . 10301 1 672 . 1 1 63 63 GLY C C 13 170.900 0.300 . 1 . . . . 63 GLY C . 10301 1 673 . 1 1 63 63 GLY CA C 13 46.025 0.300 . 1 . . . . 63 GLY CA . 10301 1 674 . 1 1 63 63 GLY N N 15 109.680 0.300 . 1 . . . . 63 GLY N . 10301 1 675 . 1 1 64 64 LEU H H 1 8.737 0.030 . 1 . . . . 64 LEU H . 10301 1 676 . 1 1 64 64 LEU HA H 1 5.744 0.030 . 1 . . . . 64 LEU HA . 10301 1 677 . 1 1 64 64 LEU HB2 H 1 1.682 0.030 . 2 . . . . 64 LEU HB2 . 10301 1 678 . 1 1 64 64 LEU HB3 H 1 1.371 0.030 . 2 . . . . 64 LEU HB3 . 10301 1 679 . 1 1 64 64 LEU HD11 H 1 0.854 0.030 . 1 . . . . 64 LEU HD1 . 10301 1 680 . 1 1 64 64 LEU HD12 H 1 0.854 0.030 . 1 . . . . 64 LEU HD1 . 10301 1 681 . 1 1 64 64 LEU HD13 H 1 0.854 0.030 . 1 . . . . 64 LEU HD1 . 10301 1 682 . 1 1 64 64 LEU HD21 H 1 0.755 0.030 . 1 . . . . 64 LEU HD2 . 10301 1 683 . 1 1 64 64 LEU HD22 H 1 0.755 0.030 . 1 . . . . 64 LEU HD2 . 10301 1 684 . 1 1 64 64 LEU HD23 H 1 0.755 0.030 . 1 . . . . 64 LEU HD2 . 10301 1 685 . 1 1 64 64 LEU HG H 1 1.721 0.030 . 1 . . . . 64 LEU HG . 10301 1 686 . 1 1 64 64 LEU C C 13 178.587 0.300 . 1 . . . . 64 LEU C . 10301 1 687 . 1 1 64 64 LEU CA C 13 53.624 0.300 . 1 . . . . 64 LEU CA . 10301 1 688 . 1 1 64 64 LEU CB C 13 44.812 0.300 . 1 . . . . 64 LEU CB . 10301 1 689 . 1 1 64 64 LEU CD1 C 13 25.399 0.300 . 2 . . . . 64 LEU CD1 . 10301 1 690 . 1 1 64 64 LEU CD2 C 13 23.885 0.300 . 2 . . . . 64 LEU CD2 . 10301 1 691 . 1 1 64 64 LEU CG C 13 27.872 0.300 . 1 . . . . 64 LEU CG . 10301 1 692 . 1 1 64 64 LEU N N 15 119.636 0.300 . 1 . . . . 64 LEU N . 10301 1 693 . 1 1 65 65 PHE H H 1 9.113 0.030 . 1 . . . . 65 PHE H . 10301 1 694 . 1 1 65 65 PHE HA H 1 5.009 0.030 . 1 . . . . 65 PHE HA . 10301 1 695 . 1 1 65 65 PHE HB2 H 1 3.052 0.030 . 2 . . . . 65 PHE HB2 . 10301 1 696 . 1 1 65 65 PHE HB3 H 1 2.624 0.030 . 2 . . . . 65 PHE HB3 . 10301 1 697 . 1 1 65 65 PHE HD1 H 1 6.972 0.030 . 1 . . . . 65 PHE HD1 . 10301 1 698 . 1 1 65 65 PHE HD2 H 1 6.972 0.030 . 1 . . . . 65 PHE HD2 . 10301 1 699 . 1 1 65 65 PHE HE1 H 1 6.987 0.030 . 1 . . . . 65 PHE HE1 . 10301 1 700 . 1 1 65 65 PHE HE2 H 1 6.987 0.030 . 1 . . . . 65 PHE HE2 . 10301 1 701 . 1 1 65 65 PHE HZ H 1 7.283 0.030 . 1 . . . . 65 PHE HZ . 10301 1 702 . 1 1 65 65 PHE C C 13 170.162 0.300 . 1 . . . . 65 PHE C . 10301 1 703 . 1 1 65 65 PHE CA C 13 55.405 0.300 . 1 . . . . 65 PHE CA . 10301 1 704 . 1 1 65 65 PHE CB C 13 38.790 0.300 . 1 . . . . 65 PHE CB . 10301 1 705 . 1 1 65 65 PHE CD1 C 13 133.883 0.300 . 1 . . . . 65 PHE CD1 . 10301 1 706 . 1 1 65 65 PHE CD2 C 13 133.883 0.300 . 1 . . . . 65 PHE CD2 . 10301 1 707 . 1 1 65 65 PHE CE1 C 13 129.936 0.300 . 1 . . . . 65 PHE CE1 . 10301 1 708 . 1 1 65 65 PHE CE2 C 13 129.936 0.300 . 1 . . . . 65 PHE CE2 . 10301 1 709 . 1 1 65 65 PHE CZ C 13 128.708 0.300 . 1 . . . . 65 PHE CZ . 10301 1 710 . 1 1 65 65 PHE N N 15 118.723 0.300 . 1 . . . . 65 PHE N . 10301 1 711 . 1 1 66 66 PRO HA H 1 4.756 0.030 . 1 . . . . 66 PRO HA . 10301 1 712 . 1 1 66 66 PRO HB2 H 1 1.935 0.030 . 1 . . . . 66 PRO HB2 . 10301 1 713 . 1 1 66 66 PRO HB3 H 1 1.935 0.030 . 1 . . . . 66 PRO HB3 . 10301 1 714 . 1 1 66 66 PRO HD2 H 1 3.532 0.030 . 2 . . . . 66 PRO HD2 . 10301 1 715 . 1 1 66 66 PRO HD3 H 1 3.170 0.030 . 2 . . . . 66 PRO HD3 . 10301 1 716 . 1 1 66 66 PRO HG2 H 1 1.509 0.030 . 1 . . . . 66 PRO HG2 . 10301 1 717 . 1 1 66 66 PRO HG3 H 1 1.509 0.030 . 1 . . . . 66 PRO HG3 . 10301 1 718 . 1 1 66 66 PRO CA C 13 61.559 0.300 . 1 . . . . 66 PRO CA . 10301 1 719 . 1 1 66 66 PRO CB C 13 31.754 0.300 . 1 . . . . 66 PRO CB . 10301 1 720 . 1 1 66 66 PRO CD C 13 50.189 0.300 . 1 . . . . 66 PRO CD . 10301 1 721 . 1 1 66 66 PRO CG C 13 27.100 0.300 . 1 . . . . 66 PRO CG . 10301 1 722 . 1 1 67 67 PHE H H 1 8.238 0.030 . 1 . . . . 67 PHE H . 10301 1 723 . 1 1 67 67 PHE HA H 1 3.407 0.030 . 1 . . . . 67 PHE HA . 10301 1 724 . 1 1 67 67 PHE HB2 H 1 1.149 0.030 . 2 . . . . 67 PHE HB2 . 10301 1 725 . 1 1 67 67 PHE HB3 H 1 0.990 0.030 . 2 . . . . 67 PHE HB3 . 10301 1 726 . 1 1 67 67 PHE HD1 H 1 6.968 0.030 . 1 . . . . 67 PHE HD1 . 10301 1 727 . 1 1 67 67 PHE HD2 H 1 6.968 0.030 . 1 . . . . 67 PHE HD2 . 10301 1 728 . 1 1 67 67 PHE HE1 H 1 7.320 0.030 . 1 . . . . 67 PHE HE1 . 10301 1 729 . 1 1 67 67 PHE HE2 H 1 7.320 0.030 . 1 . . . . 67 PHE HE2 . 10301 1 730 . 1 1 67 67 PHE C C 13 174.757 0.300 . 1 . . . . 67 PHE C . 10301 1 731 . 1 1 67 67 PHE CA C 13 59.461 0.300 . 1 . . . . 67 PHE CA . 10301 1 732 . 1 1 67 67 PHE CB C 13 35.207 0.300 . 1 . . . . 67 PHE CB . 10301 1 733 . 1 1 67 67 PHE CD1 C 13 131.872 0.300 . 1 . . . . 67 PHE CD1 . 10301 1 734 . 1 1 67 67 PHE CD2 C 13 131.872 0.300 . 1 . . . . 67 PHE CD2 . 10301 1 735 . 1 1 67 67 PHE CE1 C 13 131.505 0.300 . 1 . . . . 67 PHE CE1 . 10301 1 736 . 1 1 67 67 PHE CE2 C 13 131.505 0.300 . 1 . . . . 67 PHE CE2 . 10301 1 737 . 1 1 67 67 PHE N N 15 123.531 0.300 . 1 . . . . 67 PHE N . 10301 1 738 . 1 1 68 68 THR H H 1 6.454 0.030 . 1 . . . . 68 THR H . 10301 1 739 . 1 1 68 68 THR HA H 1 3.616 0.030 . 1 . . . . 68 THR HA . 10301 1 740 . 1 1 68 68 THR HB H 1 4.168 0.030 . 1 . . . . 68 THR HB . 10301 1 741 . 1 1 68 68 THR HG21 H 1 0.699 0.030 . 1 . . . . 68 THR HG2 . 10301 1 742 . 1 1 68 68 THR HG22 H 1 0.699 0.030 . 1 . . . . 68 THR HG2 . 10301 1 743 . 1 1 68 68 THR HG23 H 1 0.699 0.030 . 1 . . . . 68 THR HG2 . 10301 1 744 . 1 1 68 68 THR CA C 13 62.246 0.300 . 1 . . . . 68 THR CA . 10301 1 745 . 1 1 68 68 THR CB C 13 69.484 0.300 . 1 . . . . 68 THR CB . 10301 1 746 . 1 1 68 68 THR CG2 C 13 21.908 0.300 . 1 . . . . 68 THR CG2 . 10301 1 747 . 1 1 68 68 THR N N 15 107.821 0.300 . 1 . . . . 68 THR N . 10301 1 748 . 1 1 69 69 HIS H H 1 7.872 0.030 . 1 . . . . 69 HIS H . 10301 1 749 . 1 1 69 69 HIS HA H 1 4.211 0.030 . 1 . . . . 69 HIS HA . 10301 1 750 . 1 1 69 69 HIS HB2 H 1 3.515 0.030 . 2 . . . . 69 HIS HB2 . 10301 1 751 . 1 1 69 69 HIS HB3 H 1 2.905 0.030 . 2 . . . . 69 HIS HB3 . 10301 1 752 . 1 1 69 69 HIS HE1 H 1 7.532 0.030 . 1 . . . . 69 HIS HE1 . 10301 1 753 . 1 1 69 69 HIS C C 13 175.172 0.300 . 1 . . . . 69 HIS C . 10301 1 754 . 1 1 69 69 HIS CA C 13 57.652 0.300 . 1 . . . . 69 HIS CA . 10301 1 755 . 1 1 69 69 HIS CB C 13 30.468 0.300 . 1 . . . . 69 HIS CB . 10301 1 756 . 1 1 69 69 HIS CE1 C 13 139.052 0.300 . 1 . . . . 69 HIS CE1 . 10301 1 757 . 1 1 70 70 VAL H H 1 7.563 0.030 . 1 . . . . 70 VAL H . 10301 1 758 . 1 1 70 70 VAL HA H 1 5.456 0.030 . 1 . . . . 70 VAL HA . 10301 1 759 . 1 1 70 70 VAL HB H 1 1.946 0.030 . 1 . . . . 70 VAL HB . 10301 1 760 . 1 1 70 70 VAL HG11 H 1 0.932 0.030 . 1 . . . . 70 VAL HG1 . 10301 1 761 . 1 1 70 70 VAL HG12 H 1 0.932 0.030 . 1 . . . . 70 VAL HG1 . 10301 1 762 . 1 1 70 70 VAL HG13 H 1 0.932 0.030 . 1 . . . . 70 VAL HG1 . 10301 1 763 . 1 1 70 70 VAL HG21 H 1 0.520 0.030 . 1 . . . . 70 VAL HG2 . 10301 1 764 . 1 1 70 70 VAL HG22 H 1 0.520 0.030 . 1 . . . . 70 VAL HG2 . 10301 1 765 . 1 1 70 70 VAL HG23 H 1 0.520 0.030 . 1 . . . . 70 VAL HG2 . 10301 1 766 . 1 1 70 70 VAL C C 13 173.331 0.300 . 1 . . . . 70 VAL C . 10301 1 767 . 1 1 70 70 VAL CA C 13 58.315 0.300 . 1 . . . . 70 VAL CA . 10301 1 768 . 1 1 70 70 VAL CB C 13 36.114 0.300 . 1 . . . . 70 VAL CB . 10301 1 769 . 1 1 70 70 VAL CG1 C 13 18.938 0.300 . 2 . . . . 70 VAL CG1 . 10301 1 770 . 1 1 70 70 VAL CG2 C 13 21.361 0.300 . 2 . . . . 70 VAL CG2 . 10301 1 771 . 1 1 70 70 VAL N N 15 109.882 0.300 . 1 . . . . 70 VAL N . 10301 1 772 . 1 1 71 71 LYS H H 1 8.743 0.030 . 1 . . . . 71 LYS H . 10301 1 773 . 1 1 71 71 LYS HA H 1 4.883 0.030 . 1 . . . . 71 LYS HA . 10301 1 774 . 1 1 71 71 LYS HB2 H 1 1.813 0.030 . 2 . . . . 71 LYS HB2 . 10301 1 775 . 1 1 71 71 LYS HB3 H 1 1.703 0.030 . 2 . . . . 71 LYS HB3 . 10301 1 776 . 1 1 71 71 LYS HD2 H 1 1.746 0.030 . 1 . . . . 71 LYS HD2 . 10301 1 777 . 1 1 71 71 LYS HD3 H 1 1.746 0.030 . 1 . . . . 71 LYS HD3 . 10301 1 778 . 1 1 71 71 LYS HE2 H 1 3.002 0.030 . 2 . . . . 71 LYS HE2 . 10301 1 779 . 1 1 71 71 LYS HG2 H 1 1.488 0.030 . 1 . . . . 71 LYS HG2 . 10301 1 780 . 1 1 71 71 LYS HG3 H 1 1.488 0.030 . 1 . . . . 71 LYS HG3 . 10301 1 781 . 1 1 71 71 LYS C C 13 176.478 0.300 . 1 . . . . 71 LYS C . 10301 1 782 . 1 1 71 71 LYS CA C 13 54.717 0.300 . 1 . . . . 71 LYS CA . 10301 1 783 . 1 1 71 71 LYS CB C 13 36.114 0.300 . 1 . . . . 71 LYS CB . 10301 1 784 . 1 1 71 71 LYS CD C 13 29.603 0.300 . 1 . . . . 71 LYS CD . 10301 1 785 . 1 1 71 71 LYS CE C 13 42.295 0.300 . 1 . . . . 71 LYS CE . 10301 1 786 . 1 1 71 71 LYS CG C 13 24.740 0.300 . 1 . . . . 71 LYS CG . 10301 1 787 . 1 1 71 71 LYS N N 15 119.421 0.300 . 1 . . . . 71 LYS N . 10301 1 788 . 1 1 72 72 ILE H H 1 9.198 0.030 . 1 . . . . 72 ILE H . 10301 1 789 . 1 1 72 72 ILE HA H 1 4.482 0.030 . 1 . . . . 72 ILE HA . 10301 1 790 . 1 1 72 72 ILE HB H 1 1.977 0.030 . 1 . . . . 72 ILE HB . 10301 1 791 . 1 1 72 72 ILE HD11 H 1 1.100 0.030 . 1 . . . . 72 ILE HD1 . 10301 1 792 . 1 1 72 72 ILE HD12 H 1 1.100 0.030 . 1 . . . . 72 ILE HD1 . 10301 1 793 . 1 1 72 72 ILE HD13 H 1 1.100 0.030 . 1 . . . . 72 ILE HD1 . 10301 1 794 . 1 1 72 72 ILE HG12 H 1 1.916 0.030 . 2 . . . . 72 ILE HG12 . 10301 1 795 . 1 1 72 72 ILE HG13 H 1 1.432 0.030 . 2 . . . . 72 ILE HG13 . 10301 1 796 . 1 1 72 72 ILE HG21 H 1 1.131 0.030 . 1 . . . . 72 ILE HG2 . 10301 1 797 . 1 1 72 72 ILE HG22 H 1 1.131 0.030 . 1 . . . . 72 ILE HG2 . 10301 1 798 . 1 1 72 72 ILE HG23 H 1 1.131 0.030 . 1 . . . . 72 ILE HG2 . 10301 1 799 . 1 1 72 72 ILE C C 13 175.630 0.300 . 1 . . . . 72 ILE C . 10301 1 800 . 1 1 72 72 ILE CA C 13 62.563 0.300 . 1 . . . . 72 ILE CA . 10301 1 801 . 1 1 72 72 ILE CB C 13 37.976 0.300 . 1 . . . . 72 ILE CB . 10301 1 802 . 1 1 72 72 ILE CD1 C 13 12.954 0.300 . 1 . . . . 72 ILE CD1 . 10301 1 803 . 1 1 72 72 ILE CG1 C 13 28.824 0.300 . 1 . . . . 72 ILE CG1 . 10301 1 804 . 1 1 72 72 ILE CG2 C 13 17.404 0.300 . 1 . . . . 72 ILE CG2 . 10301 1 805 . 1 1 72 72 ILE N N 15 129.044 0.300 . 1 . . . . 72 ILE N . 10301 1 806 . 1 1 73 73 PHE H H 1 8.737 0.030 . 1 . . . . 73 PHE H . 10301 1 807 . 1 1 73 73 PHE HA H 1 4.977 0.030 . 1 . . . . 73 PHE HA . 10301 1 808 . 1 1 73 73 PHE HB2 H 1 3.132 0.030 . 2 . . . . 73 PHE HB2 . 10301 1 809 . 1 1 73 73 PHE HB3 H 1 2.992 0.030 . 2 . . . . 73 PHE HB3 . 10301 1 810 . 1 1 73 73 PHE HD1 H 1 7.158 0.030 . 1 . . . . 73 PHE HD1 . 10301 1 811 . 1 1 73 73 PHE HD2 H 1 7.158 0.030 . 1 . . . . 73 PHE HD2 . 10301 1 812 . 1 1 73 73 PHE HE1 H 1 7.233 0.030 . 1 . . . . 73 PHE HE1 . 10301 1 813 . 1 1 73 73 PHE HE2 H 1 7.233 0.030 . 1 . . . . 73 PHE HE2 . 10301 1 814 . 1 1 73 73 PHE HZ H 1 7.235 0.030 . 1 . . . . 73 PHE HZ . 10301 1 815 . 1 1 73 73 PHE C C 13 172.184 0.300 . 1 . . . . 73 PHE C . 10301 1 816 . 1 1 73 73 PHE CA C 13 55.987 0.300 . 1 . . . . 73 PHE CA . 10301 1 817 . 1 1 73 73 PHE CB C 13 41.721 0.300 . 1 . . . . 73 PHE CB . 10301 1 818 . 1 1 73 73 PHE CD1 C 13 131.959 0.300 . 1 . . . . 73 PHE CD1 . 10301 1 819 . 1 1 73 73 PHE CD2 C 13 131.959 0.300 . 1 . . . . 73 PHE CD2 . 10301 1 820 . 1 1 73 73 PHE CE1 C 13 129.488 0.300 . 1 . . . . 73 PHE CE1 . 10301 1 821 . 1 1 73 73 PHE CE2 C 13 129.488 0.300 . 1 . . . . 73 PHE CE2 . 10301 1 822 . 1 1 73 73 PHE CZ C 13 130.971 0.300 . 1 . . . . 73 PHE CZ . 10301 1 823 . 1 1 73 73 PHE N N 15 126.695 0.300 . 1 . . . . 73 PHE N . 10301 1 824 . 1 1 74 74 ASP H H 1 8.626 0.030 . 1 . . . . 74 ASP H . 10301 1 825 . 1 1 74 74 ASP HA H 1 4.995 0.030 . 1 . . . . 74 ASP HA . 10301 1 826 . 1 1 74 74 ASP HB2 H 1 2.906 0.030 . 2 . . . . 74 ASP HB2 . 10301 1 827 . 1 1 74 74 ASP HB3 H 1 2.552 0.030 . 2 . . . . 74 ASP HB3 . 10301 1 828 . 1 1 74 74 ASP C C 13 175.335 0.300 . 1 . . . . 74 ASP C . 10301 1 829 . 1 1 74 74 ASP CA C 13 50.080 0.300 . 1 . . . . 74 ASP CA . 10301 1 830 . 1 1 74 74 ASP CB C 13 42.137 0.300 . 1 . . . . 74 ASP CB . 10301 1 831 . 1 1 74 74 ASP N N 15 122.496 0.300 . 1 . . . . 74 ASP N . 10301 1 832 . 1 1 75 75 PRO HA H 1 4.199 0.030 . 1 . . . . 75 PRO HA . 10301 1 833 . 1 1 75 75 PRO HB2 H 1 2.131 0.030 . 2 . . . . 75 PRO HB2 . 10301 1 834 . 1 1 75 75 PRO HB3 H 1 1.815 0.030 . 2 . . . . 75 PRO HB3 . 10301 1 835 . 1 1 75 75 PRO HD2 H 1 3.830 0.030 . 2 . . . . 75 PRO HD2 . 10301 1 836 . 1 1 75 75 PRO HD3 H 1 3.604 0.030 . 2 . . . . 75 PRO HD3 . 10301 1 837 . 1 1 75 75 PRO HG2 H 1 1.668 0.030 . 2 . . . . 75 PRO HG2 . 10301 1 838 . 1 1 75 75 PRO HG3 H 1 1.499 0.030 . 2 . . . . 75 PRO HG3 . 10301 1 839 . 1 1 75 75 PRO C C 13 177.385 0.300 . 1 . . . . 75 PRO C . 10301 1 840 . 1 1 75 75 PRO CA C 13 63.718 0.300 . 1 . . . . 75 PRO CA . 10301 1 841 . 1 1 75 75 PRO CB C 13 32.159 0.300 . 1 . . . . 75 PRO CB . 10301 1 842 . 1 1 75 75 PRO CD C 13 50.899 0.300 . 1 . . . . 75 PRO CD . 10301 1 843 . 1 1 75 75 PRO CG C 13 27.189 0.300 . 1 . . . . 75 PRO CG . 10301 1 844 . 1 1 76 76 GLN H H 1 8.203 0.030 . 1 . . . . 76 GLN H . 10301 1 845 . 1 1 76 76 GLN HA H 1 4.225 0.030 . 1 . . . . 76 GLN HA . 10301 1 846 . 1 1 76 76 GLN HB2 H 1 2.152 0.030 . 2 . . . . 76 GLN HB2 . 10301 1 847 . 1 1 76 76 GLN HB3 H 1 2.040 0.030 . 2 . . . . 76 GLN HB3 . 10301 1 848 . 1 1 76 76 GLN HG2 H 1 2.373 0.030 . 2 . . . . 76 GLN HG2 . 10301 1 849 . 1 1 76 76 GLN HG3 H 1 2.303 0.030 . 2 . . . . 76 GLN HG3 . 10301 1 850 . 1 1 76 76 GLN C C 13 175.748 0.300 . 1 . . . . 76 GLN C . 10301 1 851 . 1 1 76 76 GLN CA C 13 56.065 0.300 . 1 . . . . 76 GLN CA . 10301 1 852 . 1 1 76 76 GLN CB C 13 29.226 0.300 . 1 . . . . 76 GLN CB . 10301 1 853 . 1 1 76 76 GLN CG C 13 34.470 0.300 . 1 . . . . 76 GLN CG . 10301 1 854 . 1 1 76 76 GLN N N 15 115.728 0.300 . 1 . . . . 76 GLN N . 10301 1 855 . 1 1 77 77 ASN H H 1 7.842 0.030 . 1 . . . . 77 ASN H . 10301 1 856 . 1 1 77 77 ASN HA H 1 5.021 0.030 . 1 . . . . 77 ASN HA . 10301 1 857 . 1 1 77 77 ASN HB2 H 1 2.844 0.030 . 2 . . . . 77 ASN HB2 . 10301 1 858 . 1 1 77 77 ASN HB3 H 1 2.603 0.030 . 2 . . . . 77 ASN HB3 . 10301 1 859 . 1 1 77 77 ASN HD21 H 1 7.805 0.030 . 2 . . . . 77 ASN HD21 . 10301 1 860 . 1 1 77 77 ASN HD22 H 1 6.986 0.030 . 2 . . . . 77 ASN HD22 . 10301 1 861 . 1 1 77 77 ASN CA C 13 51.119 0.300 . 1 . . . . 77 ASN CA . 10301 1 862 . 1 1 77 77 ASN CB C 13 39.456 0.300 . 1 . . . . 77 ASN CB . 10301 1 863 . 1 1 77 77 ASN N N 15 118.546 0.300 . 1 . . . . 77 ASN N . 10301 1 864 . 1 1 77 77 ASN ND2 N 15 113.606 0.300 . 1 . . . . 77 ASN ND2 . 10301 1 865 . 1 1 78 78 PRO HA H 1 4.419 0.030 . 1 . . . . 78 PRO HA . 10301 1 866 . 1 1 78 78 PRO HB2 H 1 2.243 0.030 . 2 . . . . 78 PRO HB2 . 10301 1 867 . 1 1 78 78 PRO HB3 H 1 1.976 0.030 . 2 . . . . 78 PRO HB3 . 10301 1 868 . 1 1 78 78 PRO HD2 H 1 3.712 0.030 . 2 . . . . 78 PRO HD2 . 10301 1 869 . 1 1 78 78 PRO HD3 H 1 3.627 0.030 . 2 . . . . 78 PRO HD3 . 10301 1 870 . 1 1 78 78 PRO HG2 H 1 1.988 0.030 . 1 . . . . 78 PRO HG2 . 10301 1 871 . 1 1 78 78 PRO HG3 H 1 1.988 0.030 . 1 . . . . 78 PRO HG3 . 10301 1 872 . 1 1 78 78 PRO C C 13 176.891 0.300 . 1 . . . . 78 PRO C . 10301 1 873 . 1 1 78 78 PRO CA C 13 64.045 0.300 . 1 . . . . 78 PRO CA . 10301 1 874 . 1 1 78 78 PRO CB C 13 32.158 0.300 . 1 . . . . 78 PRO CB . 10301 1 875 . 1 1 78 78 PRO CD C 13 50.526 0.300 . 1 . . . . 78 PRO CD . 10301 1 876 . 1 1 78 78 PRO CG C 13 27.048 0.300 . 1 . . . . 78 PRO CG . 10301 1 877 . 1 1 79 79 ASP H H 1 8.308 0.030 . 1 . . . . 79 ASP H . 10301 1 878 . 1 1 79 79 ASP HA H 1 4.608 0.030 . 1 . . . . 79 ASP HA . 10301 1 879 . 1 1 79 79 ASP HB2 H 1 2.749 0.030 . 2 . . . . 79 ASP HB2 . 10301 1 880 . 1 1 79 79 ASP HB3 H 1 2.597 0.030 . 2 . . . . 79 ASP HB3 . 10301 1 881 . 1 1 79 79 ASP C C 13 176.496 0.300 . 1 . . . . 79 ASP C . 10301 1 882 . 1 1 79 79 ASP CA C 13 54.489 0.300 . 1 . . . . 79 ASP CA . 10301 1 883 . 1 1 79 79 ASP CB C 13 41.154 0.300 . 1 . . . . 79 ASP CB . 10301 1 884 . 1 1 79 79 ASP N N 15 119.575 0.300 . 1 . . . . 79 ASP N . 10301 1 885 . 1 1 80 80 GLU H H 1 8.167 0.030 . 1 . . . . 80 GLU H . 10301 1 886 . 1 1 80 80 GLU HA H 1 4.252 0.030 . 1 . . . . 80 GLU HA . 10301 1 887 . 1 1 80 80 GLU HB2 H 1 2.093 0.030 . 2 . . . . 80 GLU HB2 . 10301 1 888 . 1 1 80 80 GLU HB3 H 1 1.966 0.030 . 2 . . . . 80 GLU HB3 . 10301 1 889 . 1 1 80 80 GLU HG2 H 1 2.259 0.030 . 1 . . . . 80 GLU HG2 . 10301 1 890 . 1 1 80 80 GLU HG3 H 1 2.259 0.030 . 1 . . . . 80 GLU HG3 . 10301 1 891 . 1 1 80 80 GLU C C 13 176.378 0.300 . 1 . . . . 80 GLU C . 10301 1 892 . 1 1 80 80 GLU CA C 13 56.921 0.300 . 1 . . . . 80 GLU CA . 10301 1 893 . 1 1 80 80 GLU CB C 13 30.187 0.300 . 1 . . . . 80 GLU CB . 10301 1 894 . 1 1 80 80 GLU CG C 13 36.209 0.300 . 1 . . . . 80 GLU CG . 10301 1 895 . 1 1 80 80 GLU N N 15 120.815 0.300 . 1 . . . . 80 GLU N . 10301 1 896 . 1 1 81 81 ASN H H 1 8.406 0.030 . 1 . . . . 81 ASN H . 10301 1 897 . 1 1 81 81 ASN HA H 1 4.693 0.030 . 1 . . . . 81 ASN HA . 10301 1 898 . 1 1 81 81 ASN HB2 H 1 2.832 0.030 . 2 . . . . 81 ASN HB2 . 10301 1 899 . 1 1 81 81 ASN HB3 H 1 2.771 0.030 . 2 . . . . 81 ASN HB3 . 10301 1 900 . 1 1 81 81 ASN HD21 H 1 7.649 0.030 . 2 . . . . 81 ASN HD21 . 10301 1 901 . 1 1 81 81 ASN HD22 H 1 6.939 0.030 . 2 . . . . 81 ASN HD22 . 10301 1 902 . 1 1 81 81 ASN C C 13 175.369 0.300 . 1 . . . . 81 ASN C . 10301 1 903 . 1 1 81 81 ASN CA C 13 53.554 0.300 . 1 . . . . 81 ASN CA . 10301 1 904 . 1 1 81 81 ASN CB C 13 39.274 0.300 . 1 . . . . 81 ASN CB . 10301 1 905 . 1 1 81 81 ASN N N 15 119.104 0.300 . 1 . . . . 81 ASN N . 10301 1 906 . 1 1 81 81 ASN ND2 N 15 113.433 0.300 . 1 . . . . 81 ASN ND2 . 10301 1 907 . 1 1 82 82 GLU H H 1 8.377 0.030 . 1 . . . . 82 GLU H . 10301 1 908 . 1 1 82 82 GLU HA H 1 4.315 0.030 . 1 . . . . 82 GLU HA . 10301 1 909 . 1 1 82 82 GLU HB2 H 1 2.108 0.030 . 2 . . . . 82 GLU HB2 . 10301 1 910 . 1 1 82 82 GLU HG2 H 1 2.272 0.030 . 2 . . . . 82 GLU HG2 . 10301 1 911 . 1 1 82 82 GLU C C 13 176.549 0.300 . 1 . . . . 82 GLU C . 10301 1 912 . 1 1 82 82 GLU CA C 13 56.886 0.300 . 1 . . . . 82 GLU CA . 10301 1 913 . 1 1 82 82 GLU CB C 13 29.687 0.300 . 1 . . . . 82 GLU CB . 10301 1 914 . 1 1 82 82 GLU CG C 13 33.813 0.300 . 1 . . . . 82 GLU CG . 10301 1 915 . 1 1 82 82 GLU N N 15 121.340 0.300 . 1 . . . . 82 GLU N . 10301 1 stop_ save_