data_10061 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10061 _Entry.Title ; Solution structure of PDZ domain of mouse Cypher protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-29 _Entry.Accession_date 2006-11-30 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Sato . . . 10061 2 N. Tochio . . . 10061 3 S. Koshiba . . . 10061 4 M. Inoue . . . 10061 5 T. Kigawa . . . 10061 6 S. Yokoyama . . . 10061 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10061 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10061 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 371 10061 '15N chemical shifts' 94 10061 '1H chemical shifts' 599 10061 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-13 2006-11-29 original author . 10061 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WJL 'BMRB Entry Tracking System' 10061 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10061 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of PDZ domain of mouse Cypher 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 . . . 10061 1 2 N. Tochio . . . 10061 1 3 S. Koshiba . . . 10061 1 4 M. Inoue . . . 10061 1 5 T. Kigawa . . . 10061 1 6 S. Yokoyama . . . 10061 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10061 _Assembly.ID 1 _Assembly.Name 'Cypher protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10061 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Cypher protein' 1 $entity_1 . . yes native no no . . . 10061 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 1WJL . . . . . . 10061 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10061 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ 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 ; GSSGSSGMSYSVTLTGPGPW GFRLQGGKDFNMPLTISRIT PGSKAAQSQLSQGDLVVAID GVNTDTMTHLEAQNKIKSAS YNLSLTLQKS ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1RGW . "Solution Structure Of Zasp's Pdz Domain" . . . . . 92.22 85 98.80 100.00 5.04e-52 . . . . 10061 1 2 no PDB 1WJL . "Solution Structure Of Pdz Domain Of Mouse Cypher Protein" . . . . . 100.00 90 100.00 100.00 1.57e-56 . . . . 10061 1 3 no DBJ BAA31588 . "KIAA0613 protein [Homo sapiens]" . . . . . 92.22 727 100.00 100.00 3.48e-49 . . . . 10061 1 4 no DBJ BAB23128 . "unnamed protein product [Mus musculus]" . . . . . 92.22 138 100.00 100.00 4.08e-52 . . . . 10061 1 5 no DBJ BAD32258 . "mKIAA0613 protein [Mus musculus]" . . . . . 95.56 730 97.67 98.84 2.09e-49 . . . . 10061 1 6 no DBJ BAE23262 . "unnamed protein product [Mus musculus]" . . . . . 92.22 327 100.00 100.00 4.03e-50 . . . . 10061 1 7 no DBJ BAE25016 . "unnamed protein product [Mus musculus]" . . . . . 92.22 723 100.00 100.00 3.90e-49 . . . . 10061 1 8 no EMBL CAB46727 . "ZASP protein [Homo sapiens]" . . . . . 92.22 283 100.00 100.00 2.19e-50 . . . . 10061 1 9 no EMBL CAB46728 . "ZASP protein [Homo sapiens]" . . . . . 92.22 617 100.00 100.00 7.47e-49 . . . . 10061 1 10 no EMBL CAB46729 . "ZASP protein [Homo sapiens]" . . . . . 92.22 470 100.00 100.00 7.95e-46 . . . . 10061 1 11 no EMBL CAB46747 . "orf [Mus musculus]" . . . . . 92.22 288 100.00 100.00 1.22e-50 . . . . 10061 1 12 no GB AAD42950 . "PDZ-LIM protein cypher1c [Mus musculus]" . . . . . 92.22 723 100.00 100.00 3.90e-49 . . . . 10061 1 13 no GB AAD42951 . "PDZ-LIM protein cypher2s [Mus musculus]" . . . . . 92.22 288 100.00 100.00 1.26e-50 . . . . 10061 1 14 no GB AAF33847 . "oracle 1 protein [Mus musculus]" . . . . . 92.22 723 100.00 100.00 3.90e-49 . . . . 10061 1 15 no GB AAF33848 . "oracle 2 protein [Mus musculus]" . . . . . 92.22 661 100.00 100.00 8.15e-49 . . . . 10061 1 16 no GB AAH10929 . "LIM domain binding 3 [Homo sapiens]" . . . . . 92.22 283 100.00 100.00 1.39e-50 . . . . 10061 1 17 no REF NP_001030493 . "LIM domain-binding protein 3 [Bos taurus]" . . . . . 92.22 330 100.00 100.00 6.43e-50 . . . . 10061 1 18 no REF NP_001034160 . "LIM domain-binding protein 3 isoform b [Mus musculus]" . . . . . 92.22 661 100.00 100.00 8.15e-49 . . . . 10061 1 19 no REF NP_001034161 . "LIM domain-binding protein 3 isoform c [Mus musculus]" . . . . . 92.22 679 100.00 100.00 3.71e-49 . . . . 10061 1 20 no REF NP_001034162 . "LIM domain-binding protein 3 isoform d [Mus musculus]" . . . . . 92.22 622 100.00 100.00 5.78e-49 . . . . 10061 1 21 no REF NP_001034163 . "LIM domain-binding protein 3 isoform e [Mus musculus]" . . . . . 92.22 684 100.00 100.00 3.64e-49 . . . . 10061 1 22 no SP O75112 . "RecName: Full=LIM domain-binding protein 3; AltName: Full=Protein cypher; AltName: Full=Z-band alternatively spliced PDZ-motif " . . . . . 92.22 727 100.00 100.00 3.48e-49 . . . . 10061 1 23 no SP Q9JKS4 . "RecName: Full=LIM domain-binding protein 3; AltName: Full=Protein cypher; AltName: Full=Protein oracle; AltName: Full=Z-band al" . . . . . 92.22 723 100.00 100.00 3.90e-49 . . . . 10061 1 24 no TPG DAA14160 . "TPA: LIM domain binding 3 [Bos taurus]" . . . . . 92.22 330 100.00 100.00 6.93e-50 . . . . 10061 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 10061 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 . 10061 1 2 . SER . 10061 1 3 . SER . 10061 1 4 . GLY . 10061 1 5 . SER . 10061 1 6 . SER . 10061 1 7 . GLY . 10061 1 8 . MET . 10061 1 9 . SER . 10061 1 10 . TYR . 10061 1 11 . SER . 10061 1 12 . VAL . 10061 1 13 . THR . 10061 1 14 . LEU . 10061 1 15 . THR . 10061 1 16 . GLY . 10061 1 17 . PRO . 10061 1 18 . GLY . 10061 1 19 . PRO . 10061 1 20 . TRP . 10061 1 21 . GLY . 10061 1 22 . PHE . 10061 1 23 . ARG . 10061 1 24 . LEU . 10061 1 25 . GLN . 10061 1 26 . GLY . 10061 1 27 . GLY . 10061 1 28 . LYS . 10061 1 29 . ASP . 10061 1 30 . PHE . 10061 1 31 . ASN . 10061 1 32 . MET . 10061 1 33 . PRO . 10061 1 34 . LEU . 10061 1 35 . THR . 10061 1 36 . ILE . 10061 1 37 . SER . 10061 1 38 . ARG . 10061 1 39 . ILE . 10061 1 40 . THR . 10061 1 41 . PRO . 10061 1 42 . GLY . 10061 1 43 . SER . 10061 1 44 . LYS . 10061 1 45 . ALA . 10061 1 46 . ALA . 10061 1 47 . GLN . 10061 1 48 . SER . 10061 1 49 . GLN . 10061 1 50 . LEU . 10061 1 51 . SER . 10061 1 52 . GLN . 10061 1 53 . GLY . 10061 1 54 . ASP . 10061 1 55 . LEU . 10061 1 56 . VAL . 10061 1 57 . VAL . 10061 1 58 . ALA . 10061 1 59 . ILE . 10061 1 60 . ASP . 10061 1 61 . GLY . 10061 1 62 . VAL . 10061 1 63 . ASN . 10061 1 64 . THR . 10061 1 65 . ASP . 10061 1 66 . THR . 10061 1 67 . MET . 10061 1 68 . THR . 10061 1 69 . HIS . 10061 1 70 . LEU . 10061 1 71 . GLU . 10061 1 72 . ALA . 10061 1 73 . GLN . 10061 1 74 . ASN . 10061 1 75 . LYS . 10061 1 76 . ILE . 10061 1 77 . LYS . 10061 1 78 . SER . 10061 1 79 . ALA . 10061 1 80 . SER . 10061 1 81 . TYR . 10061 1 82 . ASN . 10061 1 83 . LEU . 10061 1 84 . SER . 10061 1 85 . LEU . 10061 1 86 . THR . 10061 1 87 . LEU . 10061 1 88 . GLN . 10061 1 89 . LYS . 10061 1 90 . SER . 10061 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 10061 1 . SER 2 2 10061 1 . SER 3 3 10061 1 . GLY 4 4 10061 1 . SER 5 5 10061 1 . SER 6 6 10061 1 . GLY 7 7 10061 1 . MET 8 8 10061 1 . SER 9 9 10061 1 . TYR 10 10 10061 1 . SER 11 11 10061 1 . VAL 12 12 10061 1 . THR 13 13 10061 1 . LEU 14 14 10061 1 . THR 15 15 10061 1 . GLY 16 16 10061 1 . PRO 17 17 10061 1 . GLY 18 18 10061 1 . PRO 19 19 10061 1 . TRP 20 20 10061 1 . GLY 21 21 10061 1 . PHE 22 22 10061 1 . ARG 23 23 10061 1 . LEU 24 24 10061 1 . GLN 25 25 10061 1 . GLY 26 26 10061 1 . GLY 27 27 10061 1 . LYS 28 28 10061 1 . ASP 29 29 10061 1 . PHE 30 30 10061 1 . ASN 31 31 10061 1 . MET 32 32 10061 1 . PRO 33 33 10061 1 . LEU 34 34 10061 1 . THR 35 35 10061 1 . ILE 36 36 10061 1 . SER 37 37 10061 1 . ARG 38 38 10061 1 . ILE 39 39 10061 1 . THR 40 40 10061 1 . PRO 41 41 10061 1 . GLY 42 42 10061 1 . SER 43 43 10061 1 . LYS 44 44 10061 1 . ALA 45 45 10061 1 . ALA 46 46 10061 1 . GLN 47 47 10061 1 . SER 48 48 10061 1 . GLN 49 49 10061 1 . LEU 50 50 10061 1 . SER 51 51 10061 1 . GLN 52 52 10061 1 . GLY 53 53 10061 1 . ASP 54 54 10061 1 . LEU 55 55 10061 1 . VAL 56 56 10061 1 . VAL 57 57 10061 1 . ALA 58 58 10061 1 . ILE 59 59 10061 1 . ASP 60 60 10061 1 . GLY 61 61 10061 1 . VAL 62 62 10061 1 . ASN 63 63 10061 1 . THR 64 64 10061 1 . ASP 65 65 10061 1 . THR 66 66 10061 1 . MET 67 67 10061 1 . THR 68 68 10061 1 . HIS 69 69 10061 1 . LEU 70 70 10061 1 . GLU 71 71 10061 1 . ALA 72 72 10061 1 . GLN 73 73 10061 1 . ASN 74 74 10061 1 . LYS 75 75 10061 1 . ILE 76 76 10061 1 . LYS 77 77 10061 1 . SER 78 78 10061 1 . ALA 79 79 10061 1 . SER 80 80 10061 1 . TYR 81 81 10061 1 . ASN 82 82 10061 1 . LEU 83 83 10061 1 . SER 84 84 10061 1 . LEU 85 85 10061 1 . THR 86 86 10061 1 . LEU 87 87 10061 1 . GLN 88 88 10061 1 . LYS 89 89 10061 1 . SER 90 90 10061 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 10061 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10061 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 10061 _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 . . P031104-22 . . . . . . 10061 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10061 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.1 . . mM . . . . 10061 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10061 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10061 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10061 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10061 1 6 H2O . . . . . . solvent 90 . . % . . . . 10061 1 7 D2O . . . . . . solvent 10 . . % . . . . 10061 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 10061 _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 10061 1 pH 6.0 0.05 pH 10061 1 pressure 1 0.001 atm 10061 1 temperature 298 0.1 K 10061 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10061 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10061 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10061 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10061 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10061 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10061 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10061 _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.' . . 10061 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10061 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10061 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8996 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10061 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10061 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10061 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10061 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10061 5 'structure solution' 10061 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 10061 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10061 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10061 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10061 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10061 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10061 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10061 _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 . . . . . . . . . 10061 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10061 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10061 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 10061 _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 10061 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10061 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.931 0.030 . 1 . . . . 1 GLY HA2 . 10061 1 2 . 1 1 1 1 GLY HA3 H 1 3.931 0.030 . 1 . . . . 1 GLY HA3 . 10061 1 3 . 1 1 1 1 GLY CA C 13 43.506 0.300 . 1 . . . . 1 GLY CA . 10061 1 4 . 1 1 3 3 SER HA H 1 4.535 0.030 . 1 . . . . 3 SER HA . 10061 1 5 . 1 1 3 3 SER HB2 H 1 3.912 0.030 . 1 . . . . 3 SER HB2 . 10061 1 6 . 1 1 3 3 SER HB3 H 1 3.912 0.030 . 1 . . . . 3 SER HB3 . 10061 1 7 . 1 1 3 3 SER C C 13 175.064 0.300 . 1 . . . . 3 SER C . 10061 1 8 . 1 1 3 3 SER CA C 13 58.599 0.300 . 1 . . . . 3 SER CA . 10061 1 9 . 1 1 3 3 SER CB C 13 63.839 0.300 . 1 . . . . 3 SER CB . 10061 1 10 . 1 1 4 4 GLY H H 1 8.466 0.030 . 1 . . . . 4 GLY H . 10061 1 11 . 1 1 4 4 GLY HA2 H 1 4.039 0.030 . 1 . . . . 4 GLY HA2 . 10061 1 12 . 1 1 4 4 GLY HA3 H 1 4.039 0.030 . 1 . . . . 4 GLY HA3 . 10061 1 13 . 1 1 4 4 GLY C C 13 174.197 0.300 . 1 . . . . 4 GLY C . 10061 1 14 . 1 1 4 4 GLY CA C 13 45.474 0.300 . 1 . . . . 4 GLY CA . 10061 1 15 . 1 1 4 4 GLY N N 15 110.902 0.300 . 1 . . . . 4 GLY N . 10061 1 16 . 1 1 5 5 SER H H 1 8.230 0.030 . 1 . . . . 5 SER H . 10061 1 17 . 1 1 5 5 SER HA H 1 4.566 0.030 . 1 . . . . 5 SER HA . 10061 1 18 . 1 1 5 5 SER HB2 H 1 3.897 0.030 . 1 . . . . 5 SER HB2 . 10061 1 19 . 1 1 5 5 SER HB3 H 1 3.897 0.030 . 1 . . . . 5 SER HB3 . 10061 1 20 . 1 1 5 5 SER C C 13 174.441 0.300 . 1 . . . . 5 SER C . 10061 1 21 . 1 1 5 5 SER CA C 13 58.186 0.300 . 1 . . . . 5 SER CA . 10061 1 22 . 1 1 5 5 SER CB C 13 63.982 0.300 . 1 . . . . 5 SER CB . 10061 1 23 . 1 1 5 5 SER N N 15 115.678 0.300 . 1 . . . . 5 SER N . 10061 1 24 . 1 1 6 6 SER H H 1 8.320 0.030 . 1 . . . . 6 SER H . 10061 1 25 . 1 1 6 6 SER HA H 1 4.344 0.030 . 1 . . . . 6 SER HA . 10061 1 26 . 1 1 6 6 SER HB2 H 1 3.891 0.030 . 1 . . . . 6 SER HB2 . 10061 1 27 . 1 1 6 6 SER HB3 H 1 3.891 0.030 . 1 . . . . 6 SER HB3 . 10061 1 28 . 1 1 6 6 SER C C 13 175.326 0.300 . 1 . . . . 6 SER C . 10061 1 29 . 1 1 6 6 SER CA C 13 59.268 0.300 . 1 . . . . 6 SER CA . 10061 1 30 . 1 1 6 6 SER CB C 13 63.729 0.300 . 1 . . . . 6 SER CB . 10061 1 31 . 1 1 6 6 SER N N 15 117.516 0.300 . 1 . . . . 6 SER N . 10061 1 32 . 1 1 7 7 GLY H H 1 8.543 0.030 . 1 . . . . 7 GLY H . 10061 1 33 . 1 1 7 7 GLY HA2 H 1 4.123 0.030 . 2 . . . . 7 GLY HA2 . 10061 1 34 . 1 1 7 7 GLY HA3 H 1 3.915 0.030 . 2 . . . . 7 GLY HA3 . 10061 1 35 . 1 1 7 7 GLY C C 13 174.040 0.300 . 1 . . . . 7 GLY C . 10061 1 36 . 1 1 7 7 GLY CA C 13 45.368 0.300 . 1 . . . . 7 GLY CA . 10061 1 37 . 1 1 7 7 GLY N N 15 111.819 0.300 . 1 . . . . 7 GLY N . 10061 1 38 . 1 1 8 8 MET H H 1 8.150 0.030 . 1 . . . . 8 MET H . 10061 1 39 . 1 1 8 8 MET HA H 1 4.534 0.030 . 1 . . . . 8 MET HA . 10061 1 40 . 1 1 8 8 MET HB2 H 1 2.154 0.030 . 1 . . . . 8 MET HB2 . 10061 1 41 . 1 1 8 8 MET HB3 H 1 2.154 0.030 . 1 . . . . 8 MET HB3 . 10061 1 42 . 1 1 8 8 MET HG2 H 1 2.626 0.030 . 1 . . . . 8 MET HG2 . 10061 1 43 . 1 1 8 8 MET HG3 H 1 2.626 0.030 . 1 . . . . 8 MET HG3 . 10061 1 44 . 1 1 8 8 MET HE1 H 1 2.100 0.030 . 1 . . . . 8 MET HE . 10061 1 45 . 1 1 8 8 MET HE2 H 1 2.100 0.030 . 1 . . . . 8 MET HE . 10061 1 46 . 1 1 8 8 MET HE3 H 1 2.100 0.030 . 1 . . . . 8 MET HE . 10061 1 47 . 1 1 8 8 MET C C 13 175.618 0.300 . 1 . . . . 8 MET C . 10061 1 48 . 1 1 8 8 MET CA C 13 55.932 0.300 . 1 . . . . 8 MET CA . 10061 1 49 . 1 1 8 8 MET CB C 13 33.410 0.300 . 1 . . . . 8 MET CB . 10061 1 50 . 1 1 8 8 MET CG C 13 33.649 0.300 . 1 . . . . 8 MET CG . 10061 1 51 . 1 1 8 8 MET CE C 13 17.264 0.300 . 1 . . . . 8 MET CE . 10061 1 52 . 1 1 8 8 MET N N 15 119.958 0.300 . 1 . . . . 8 MET N . 10061 1 53 . 1 1 9 9 SER H H 1 8.398 0.030 . 1 . . . . 9 SER H . 10061 1 54 . 1 1 9 9 SER HA H 1 5.492 0.030 . 1 . . . . 9 SER HA . 10061 1 55 . 1 1 9 9 SER HB2 H 1 3.847 0.030 . 2 . . . . 9 SER HB2 . 10061 1 56 . 1 1 9 9 SER HB3 H 1 3.811 0.030 . 2 . . . . 9 SER HB3 . 10061 1 57 . 1 1 9 9 SER C C 13 174.003 0.300 . 1 . . . . 9 SER C . 10061 1 58 . 1 1 9 9 SER CA C 13 57.257 0.300 . 1 . . . . 9 SER CA . 10061 1 59 . 1 1 9 9 SER CB C 13 65.163 0.300 . 1 . . . . 9 SER CB . 10061 1 60 . 1 1 9 9 SER N N 15 118.144 0.300 . 1 . . . . 9 SER N . 10061 1 61 . 1 1 10 10 TYR H H 1 8.888 0.030 . 1 . . . . 10 TYR H . 10061 1 62 . 1 1 10 10 TYR HA H 1 4.926 0.030 . 1 . . . . 10 TYR HA . 10061 1 63 . 1 1 10 10 TYR HB2 H 1 3.000 0.030 . 2 . . . . 10 TYR HB2 . 10061 1 64 . 1 1 10 10 TYR HB3 H 1 3.066 0.030 . 2 . . . . 10 TYR HB3 . 10061 1 65 . 1 1 10 10 TYR HD1 H 1 6.780 0.030 . 1 . . . . 10 TYR HD1 . 10061 1 66 . 1 1 10 10 TYR HD2 H 1 6.780 0.030 . 1 . . . . 10 TYR HD2 . 10061 1 67 . 1 1 10 10 TYR HE1 H 1 6.308 0.030 . 1 . . . . 10 TYR HE1 . 10061 1 68 . 1 1 10 10 TYR HE2 H 1 6.308 0.030 . 1 . . . . 10 TYR HE2 . 10061 1 69 . 1 1 10 10 TYR C C 13 171.988 0.300 . 1 . . . . 10 TYR C . 10061 1 70 . 1 1 10 10 TYR CA C 13 56.710 0.300 . 1 . . . . 10 TYR CA . 10061 1 71 . 1 1 10 10 TYR CB C 13 40.019 0.300 . 1 . . . . 10 TYR CB . 10061 1 72 . 1 1 10 10 TYR CD1 C 13 133.170 0.300 . 1 . . . . 10 TYR CD1 . 10061 1 73 . 1 1 10 10 TYR CD2 C 13 133.170 0.300 . 1 . . . . 10 TYR CD2 . 10061 1 74 . 1 1 10 10 TYR CE1 C 13 118.421 0.300 . 1 . . . . 10 TYR CE1 . 10061 1 75 . 1 1 10 10 TYR CE2 C 13 118.421 0.300 . 1 . . . . 10 TYR CE2 . 10061 1 76 . 1 1 10 10 TYR N N 15 120.911 0.300 . 1 . . . . 10 TYR N . 10061 1 77 . 1 1 11 11 SER H H 1 8.609 0.030 . 1 . . . . 11 SER H . 10061 1 78 . 1 1 11 11 SER HA H 1 5.407 0.030 . 1 . . . . 11 SER HA . 10061 1 79 . 1 1 11 11 SER HB2 H 1 3.836 0.030 . 2 . . . . 11 SER HB2 . 10061 1 80 . 1 1 11 11 SER HB3 H 1 3.682 0.030 . 2 . . . . 11 SER HB3 . 10061 1 81 . 1 1 11 11 SER C C 13 173.518 0.300 . 1 . . . . 11 SER C . 10061 1 82 . 1 1 11 11 SER CA C 13 57.052 0.300 . 1 . . . . 11 SER CA . 10061 1 83 . 1 1 11 11 SER CB C 13 65.918 0.300 . 1 . . . . 11 SER CB . 10061 1 84 . 1 1 11 11 SER N N 15 114.997 0.300 . 1 . . . . 11 SER N . 10061 1 85 . 1 1 12 12 VAL H H 1 8.619 0.030 . 1 . . . . 12 VAL H . 10061 1 86 . 1 1 12 12 VAL HA H 1 4.544 0.030 . 1 . . . . 12 VAL HA . 10061 1 87 . 1 1 12 12 VAL HB H 1 1.836 0.030 . 1 . . . . 12 VAL HB . 10061 1 88 . 1 1 12 12 VAL HG11 H 1 0.937 0.030 . 1 . . . . 12 VAL HG1 . 10061 1 89 . 1 1 12 12 VAL HG12 H 1 0.937 0.030 . 1 . . . . 12 VAL HG1 . 10061 1 90 . 1 1 12 12 VAL HG13 H 1 0.937 0.030 . 1 . . . . 12 VAL HG1 . 10061 1 91 . 1 1 12 12 VAL HG21 H 1 0.937 0.030 . 1 . . . . 12 VAL HG2 . 10061 1 92 . 1 1 12 12 VAL HG22 H 1 0.937 0.030 . 1 . . . . 12 VAL HG2 . 10061 1 93 . 1 1 12 12 VAL HG23 H 1 0.937 0.030 . 1 . . . . 12 VAL HG2 . 10061 1 94 . 1 1 12 12 VAL C C 13 174.343 0.300 . 1 . . . . 12 VAL C . 10061 1 95 . 1 1 12 12 VAL CA C 13 60.520 0.300 . 1 . . . . 12 VAL CA . 10061 1 96 . 1 1 12 12 VAL CB C 13 36.740 0.300 . 1 . . . . 12 VAL CB . 10061 1 97 . 1 1 12 12 VAL CG1 C 13 21.382 0.300 . 1 . . . . 12 VAL CG1 . 10061 1 98 . 1 1 12 12 VAL CG2 C 13 21.382 0.300 . 1 . . . . 12 VAL CG2 . 10061 1 99 . 1 1 12 12 VAL N N 15 120.194 0.300 . 1 . . . . 12 VAL N . 10061 1 100 . 1 1 13 13 THR H H 1 8.652 0.030 . 1 . . . . 13 THR H . 10061 1 101 . 1 1 13 13 THR HA H 1 5.136 0.030 . 1 . . . . 13 THR HA . 10061 1 102 . 1 1 13 13 THR HB H 1 3.891 0.030 . 1 . . . . 13 THR HB . 10061 1 103 . 1 1 13 13 THR HG21 H 1 1.021 0.030 . 1 . . . . 13 THR HG2 . 10061 1 104 . 1 1 13 13 THR HG22 H 1 1.021 0.030 . 1 . . . . 13 THR HG2 . 10061 1 105 . 1 1 13 13 THR HG23 H 1 1.021 0.030 . 1 . . . . 13 THR HG2 . 10061 1 106 . 1 1 13 13 THR C C 13 173.943 0.300 . 1 . . . . 13 THR C . 10061 1 107 . 1 1 13 13 THR CA C 13 61.597 0.300 . 1 . . . . 13 THR CA . 10061 1 108 . 1 1 13 13 THR CB C 13 70.707 0.300 . 1 . . . . 13 THR CB . 10061 1 109 . 1 1 13 13 THR CG2 C 13 21.402 0.300 . 1 . . . . 13 THR CG2 . 10061 1 110 . 1 1 13 13 THR N N 15 121.766 0.300 . 1 . . . . 13 THR N . 10061 1 111 . 1 1 14 14 LEU H H 1 9.293 0.030 . 1 . . . . 14 LEU H . 10061 1 112 . 1 1 14 14 LEU HA H 1 4.745 0.030 . 1 . . . . 14 LEU HA . 10061 1 113 . 1 1 14 14 LEU HB2 H 1 1.472 0.030 . 1 . . . . 14 LEU HB2 . 10061 1 114 . 1 1 14 14 LEU HB3 H 1 1.472 0.030 . 1 . . . . 14 LEU HB3 . 10061 1 115 . 1 1 14 14 LEU HG H 1 1.488 0.030 . 1 . . . . 14 LEU HG . 10061 1 116 . 1 1 14 14 LEU HD11 H 1 0.821 0.030 . 1 . . . . 14 LEU HD1 . 10061 1 117 . 1 1 14 14 LEU HD12 H 1 0.821 0.030 . 1 . . . . 14 LEU HD1 . 10061 1 118 . 1 1 14 14 LEU HD13 H 1 0.821 0.030 . 1 . . . . 14 LEU HD1 . 10061 1 119 . 1 1 14 14 LEU HD21 H 1 0.843 0.030 . 1 . . . . 14 LEU HD2 . 10061 1 120 . 1 1 14 14 LEU HD22 H 1 0.843 0.030 . 1 . . . . 14 LEU HD2 . 10061 1 121 . 1 1 14 14 LEU HD23 H 1 0.843 0.030 . 1 . . . . 14 LEU HD2 . 10061 1 122 . 1 1 14 14 LEU C C 13 175.764 0.300 . 1 . . . . 14 LEU C . 10061 1 123 . 1 1 14 14 LEU CA C 13 52.971 0.300 . 1 . . . . 14 LEU CA . 10061 1 124 . 1 1 14 14 LEU CB C 13 43.624 0.300 . 1 . . . . 14 LEU CB . 10061 1 125 . 1 1 14 14 LEU CG C 13 27.296 0.300 . 1 . . . . 14 LEU CG . 10061 1 126 . 1 1 14 14 LEU CD1 C 13 26.257 0.300 . 2 . . . . 14 LEU CD1 . 10061 1 127 . 1 1 14 14 LEU CD2 C 13 23.531 0.300 . 2 . . . . 14 LEU CD2 . 10061 1 128 . 1 1 14 14 LEU N N 15 128.130 0.300 . 1 . . . . 14 LEU N . 10061 1 129 . 1 1 15 15 THR H H 1 8.848 0.030 . 1 . . . . 15 THR H . 10061 1 130 . 1 1 15 15 THR HA H 1 4.566 0.030 . 1 . . . . 15 THR HA . 10061 1 131 . 1 1 15 15 THR HB H 1 4.212 0.030 . 1 . . . . 15 THR HB . 10061 1 132 . 1 1 15 15 THR HG21 H 1 1.437 0.030 . 1 . . . . 15 THR HG2 . 10061 1 133 . 1 1 15 15 THR HG22 H 1 1.437 0.030 . 1 . . . . 15 THR HG2 . 10061 1 134 . 1 1 15 15 THR HG23 H 1 1.437 0.030 . 1 . . . . 15 THR HG2 . 10061 1 135 . 1 1 15 15 THR C C 13 175.642 0.300 . 1 . . . . 15 THR C . 10061 1 136 . 1 1 15 15 THR CA C 13 62.307 0.300 . 1 . . . . 15 THR CA . 10061 1 137 . 1 1 15 15 THR CB C 13 69.788 0.300 . 1 . . . . 15 THR CB . 10061 1 138 . 1 1 15 15 THR CG2 C 13 21.961 0.300 . 1 . . . . 15 THR CG2 . 10061 1 139 . 1 1 15 15 THR N N 15 118.950 0.300 . 1 . . . . 15 THR N . 10061 1 140 . 1 1 16 16 GLY H H 1 8.606 0.030 . 1 . . . . 16 GLY H . 10061 1 141 . 1 1 16 16 GLY HA2 H 1 3.843 0.030 . 2 . . . . 16 GLY HA2 . 10061 1 142 . 1 1 16 16 GLY HA3 H 1 3.672 0.030 . 2 . . . . 16 GLY HA3 . 10061 1 143 . 1 1 16 16 GLY C C 13 171.539 0.300 . 1 . . . . 16 GLY C . 10061 1 144 . 1 1 16 16 GLY CA C 13 45.235 0.300 . 1 . . . . 16 GLY CA . 10061 1 145 . 1 1 16 16 GLY N N 15 113.643 0.300 . 1 . . . . 16 GLY N . 10061 1 146 . 1 1 17 17 PRO HA H 1 4.416 0.030 . 1 . . . . 17 PRO HA . 10061 1 147 . 1 1 17 17 PRO HB2 H 1 2.314 0.030 . 2 . . . . 17 PRO HB2 . 10061 1 148 . 1 1 17 17 PRO HB3 H 1 2.198 0.030 . 2 . . . . 17 PRO HB3 . 10061 1 149 . 1 1 17 17 PRO HG2 H 1 1.928 0.030 . 2 . . . . 17 PRO HG2 . 10061 1 150 . 1 1 17 17 PRO HG3 H 1 1.790 0.030 . 2 . . . . 17 PRO HG3 . 10061 1 151 . 1 1 17 17 PRO HD2 H 1 3.556 0.030 . 2 . . . . 17 PRO HD2 . 10061 1 152 . 1 1 17 17 PRO HD3 H 1 3.521 0.030 . 2 . . . . 17 PRO HD3 . 10061 1 153 . 1 1 17 17 PRO CA C 13 62.225 0.300 . 1 . . . . 17 PRO CA . 10061 1 154 . 1 1 17 17 PRO CB C 13 35.077 0.300 . 1 . . . . 17 PRO CB . 10061 1 155 . 1 1 17 17 PRO CG C 13 24.606 0.300 . 1 . . . . 17 PRO CG . 10061 1 156 . 1 1 17 17 PRO CD C 13 50.017 0.300 . 1 . . . . 17 PRO CD . 10061 1 157 . 1 1 18 18 GLY H H 1 7.978 0.030 . 1 . . . . 18 GLY H . 10061 1 158 . 1 1 18 18 GLY HA2 H 1 2.449 0.030 . 2 . . . . 18 GLY HA2 . 10061 1 159 . 1 1 18 18 GLY HA3 H 1 2.357 0.030 . 2 . . . . 18 GLY HA3 . 10061 1 160 . 1 1 18 18 GLY CA C 13 42.481 0.300 . 1 . . . . 18 GLY CA . 10061 1 161 . 1 1 18 18 GLY N N 15 107.306 0.300 . 1 . . . . 18 GLY N . 10061 1 162 . 1 1 19 19 PRO HA H 1 4.043 0.030 . 1 . . . . 19 PRO HA . 10061 1 163 . 1 1 19 19 PRO HB2 H 1 2.146 0.030 . 2 . . . . 19 PRO HB2 . 10061 1 164 . 1 1 19 19 PRO HB3 H 1 2.365 0.030 . 2 . . . . 19 PRO HB3 . 10061 1 165 . 1 1 19 19 PRO HG2 H 1 1.856 0.030 . 2 . . . . 19 PRO HG2 . 10061 1 166 . 1 1 19 19 PRO HG3 H 1 1.736 0.030 . 2 . . . . 19 PRO HG3 . 10061 1 167 . 1 1 19 19 PRO HD2 H 1 3.400 0.030 . 1 . . . . 19 PRO HD2 . 10061 1 168 . 1 1 19 19 PRO HD3 H 1 3.400 0.030 . 1 . . . . 19 PRO HD3 . 10061 1 169 . 1 1 19 19 PRO CA C 13 61.618 0.300 . 1 . . . . 19 PRO CA . 10061 1 170 . 1 1 19 19 PRO CB C 13 35.195 0.300 . 1 . . . . 19 PRO CB . 10061 1 171 . 1 1 19 19 PRO CG C 13 24.786 0.300 . 1 . . . . 19 PRO CG . 10061 1 172 . 1 1 19 19 PRO CD C 13 50.619 0.300 . 1 . . . . 19 PRO CD . 10061 1 173 . 1 1 20 20 TRP H H 1 8.078 0.030 . 1 . . . . 20 TRP H . 10061 1 174 . 1 1 20 20 TRP HA H 1 4.767 0.030 . 1 . . . . 20 TRP HA . 10061 1 175 . 1 1 20 20 TRP HB2 H 1 3.482 0.030 . 2 . . . . 20 TRP HB2 . 10061 1 176 . 1 1 20 20 TRP HB3 H 1 2.947 0.030 . 2 . . . . 20 TRP HB3 . 10061 1 177 . 1 1 20 20 TRP HD1 H 1 7.124 0.030 . 1 . . . . 20 TRP HD1 . 10061 1 178 . 1 1 20 20 TRP HE1 H 1 10.044 0.030 . 1 . . . . 20 TRP HE1 . 10061 1 179 . 1 1 20 20 TRP HE3 H 1 7.331 0.030 . 1 . . . . 20 TRP HE3 . 10061 1 180 . 1 1 20 20 TRP HZ2 H 1 7.309 0.030 . 1 . . . . 20 TRP HZ2 . 10061 1 181 . 1 1 20 20 TRP HZ3 H 1 6.597 0.030 . 1 . . . . 20 TRP HZ3 . 10061 1 182 . 1 1 20 20 TRP HH2 H 1 6.765 0.030 . 1 . . . . 20 TRP HH2 . 10061 1 183 . 1 1 20 20 TRP C C 13 176.638 0.300 . 1 . . . . 20 TRP C . 10061 1 184 . 1 1 20 20 TRP CA C 13 58.732 0.300 . 1 . . . . 20 TRP CA . 10061 1 185 . 1 1 20 20 TRP CB C 13 32.630 0.300 . 1 . . . . 20 TRP CB . 10061 1 186 . 1 1 20 20 TRP CD1 C 13 128.103 0.300 . 1 . . . . 20 TRP CD1 . 10061 1 187 . 1 1 20 20 TRP CE3 C 13 119.888 0.300 . 1 . . . . 20 TRP CE3 . 10061 1 188 . 1 1 20 20 TRP CZ2 C 13 115.128 0.300 . 1 . . . . 20 TRP CZ2 . 10061 1 189 . 1 1 20 20 TRP CZ3 C 13 122.076 0.300 . 1 . . . . 20 TRP CZ3 . 10061 1 190 . 1 1 20 20 TRP CH2 C 13 124.494 0.300 . 1 . . . . 20 TRP CH2 . 10061 1 191 . 1 1 20 20 TRP N N 15 120.599 0.300 . 1 . . . . 20 TRP N . 10061 1 192 . 1 1 20 20 TRP NE1 N 15 128.793 0.300 . 1 . . . . 20 TRP NE1 . 10061 1 193 . 1 1 21 21 GLY H H 1 8.300 0.030 . 1 . . . . 21 GLY H . 10061 1 194 . 1 1 21 21 GLY HA2 H 1 4.777 0.030 . 2 . . . . 21 GLY HA2 . 10061 1 195 . 1 1 21 21 GLY HA3 H 1 3.870 0.030 . 2 . . . . 21 GLY HA3 . 10061 1 196 . 1 1 21 21 GLY C C 13 173.202 0.300 . 1 . . . . 21 GLY C . 10061 1 197 . 1 1 21 21 GLY CA C 13 45.729 0.300 . 1 . . . . 21 GLY CA . 10061 1 198 . 1 1 21 21 GLY N N 15 126.474 0.300 . 1 . . . . 21 GLY N . 10061 1 199 . 1 1 22 22 PHE H H 1 7.066 0.030 . 1 . . . . 22 PHE H . 10061 1 200 . 1 1 22 22 PHE HA H 1 5.759 0.030 . 1 . . . . 22 PHE HA . 10061 1 201 . 1 1 22 22 PHE HB2 H 1 3.194 0.030 . 2 . . . . 22 PHE HB2 . 10061 1 202 . 1 1 22 22 PHE HB3 H 1 2.693 0.030 . 2 . . . . 22 PHE HB3 . 10061 1 203 . 1 1 22 22 PHE HD1 H 1 6.875 0.030 . 1 . . . . 22 PHE HD1 . 10061 1 204 . 1 1 22 22 PHE HD2 H 1 6.875 0.030 . 1 . . . . 22 PHE HD2 . 10061 1 205 . 1 1 22 22 PHE HE1 H 1 6.904 0.030 . 1 . . . . 22 PHE HE1 . 10061 1 206 . 1 1 22 22 PHE HE2 H 1 6.904 0.030 . 1 . . . . 22 PHE HE2 . 10061 1 207 . 1 1 22 22 PHE HZ H 1 7.339 0.030 . 1 . . . . 22 PHE HZ . 10061 1 208 . 1 1 22 22 PHE C C 13 173.032 0.300 . 1 . . . . 22 PHE C . 10061 1 209 . 1 1 22 22 PHE CA C 13 54.929 0.300 . 1 . . . . 22 PHE CA . 10061 1 210 . 1 1 22 22 PHE CB C 13 42.351 0.300 . 1 . . . . 22 PHE CB . 10061 1 211 . 1 1 22 22 PHE CD1 C 13 131.741 0.300 . 1 . . . . 22 PHE CD1 . 10061 1 212 . 1 1 22 22 PHE CD2 C 13 131.741 0.300 . 1 . . . . 22 PHE CD2 . 10061 1 213 . 1 1 22 22 PHE CE1 C 13 130.219 0.300 . 1 . . . . 22 PHE CE1 . 10061 1 214 . 1 1 22 22 PHE CE2 C 13 130.219 0.300 . 1 . . . . 22 PHE CE2 . 10061 1 215 . 1 1 22 22 PHE CZ C 13 131.576 0.300 . 1 . . . . 22 PHE CZ . 10061 1 216 . 1 1 22 22 PHE N N 15 112.432 0.300 . 1 . . . . 22 PHE N . 10061 1 217 . 1 1 23 23 ARG H H 1 8.398 0.030 . 1 . . . . 23 ARG H . 10061 1 218 . 1 1 23 23 ARG HA H 1 4.788 0.030 . 1 . . . . 23 ARG HA . 10061 1 219 . 1 1 23 23 ARG HB2 H 1 1.696 0.030 . 2 . . . . 23 ARG HB2 . 10061 1 220 . 1 1 23 23 ARG HB3 H 1 1.949 0.030 . 2 . . . . 23 ARG HB3 . 10061 1 221 . 1 1 23 23 ARG HG2 H 1 1.675 0.030 . 1 . . . . 23 ARG HG2 . 10061 1 222 . 1 1 23 23 ARG HG3 H 1 1.675 0.030 . 1 . . . . 23 ARG HG3 . 10061 1 223 . 1 1 23 23 ARG HD2 H 1 3.184 0.030 . 1 . . . . 23 ARG HD2 . 10061 1 224 . 1 1 23 23 ARG HD3 H 1 3.184 0.030 . 1 . . . . 23 ARG HD3 . 10061 1 225 . 1 1 23 23 ARG C C 13 175.254 0.300 . 1 . . . . 23 ARG C . 10061 1 226 . 1 1 23 23 ARG CA C 13 53.905 0.300 . 1 . . . . 23 ARG CA . 10061 1 227 . 1 1 23 23 ARG CB C 13 34.141 0.300 . 1 . . . . 23 ARG CB . 10061 1 228 . 1 1 23 23 ARG CG C 13 27.087 0.300 . 1 . . . . 23 ARG CG . 10061 1 229 . 1 1 23 23 ARG CD C 13 43.436 0.300 . 1 . . . . 23 ARG CD . 10061 1 230 . 1 1 23 23 ARG N N 15 119.632 0.300 . 1 . . . . 23 ARG N . 10061 1 231 . 1 1 24 24 LEU H H 1 8.892 0.030 . 1 . . . . 24 LEU H . 10061 1 232 . 1 1 24 24 LEU HA H 1 5.464 0.030 . 1 . . . . 24 LEU HA . 10061 1 233 . 1 1 24 24 LEU HB2 H 1 1.701 0.030 . 2 . . . . 24 LEU HB2 . 10061 1 234 . 1 1 24 24 LEU HB3 H 1 1.374 0.030 . 2 . . . . 24 LEU HB3 . 10061 1 235 . 1 1 24 24 LEU HG H 1 1.747 0.030 . 1 . . . . 24 LEU HG . 10061 1 236 . 1 1 24 24 LEU HD11 H 1 0.808 0.030 . 1 . . . . 24 LEU HD1 . 10061 1 237 . 1 1 24 24 LEU HD12 H 1 0.808 0.030 . 1 . . . . 24 LEU HD1 . 10061 1 238 . 1 1 24 24 LEU HD13 H 1 0.808 0.030 . 1 . . . . 24 LEU HD1 . 10061 1 239 . 1 1 24 24 LEU HD21 H 1 0.877 0.030 . 1 . . . . 24 LEU HD2 . 10061 1 240 . 1 1 24 24 LEU HD22 H 1 0.877 0.030 . 1 . . . . 24 LEU HD2 . 10061 1 241 . 1 1 24 24 LEU HD23 H 1 0.877 0.030 . 1 . . . . 24 LEU HD2 . 10061 1 242 . 1 1 24 24 LEU C C 13 176.954 0.300 . 1 . . . . 24 LEU C . 10061 1 243 . 1 1 24 24 LEU CA C 13 53.411 0.300 . 1 . . . . 24 LEU CA . 10061 1 244 . 1 1 24 24 LEU CB C 13 45.654 0.300 . 1 . . . . 24 LEU CB . 10061 1 245 . 1 1 24 24 LEU CG C 13 26.640 0.300 . 1 . . . . 24 LEU CG . 10061 1 246 . 1 1 24 24 LEU CD1 C 13 26.132 0.300 . 2 . . . . 24 LEU CD1 . 10061 1 247 . 1 1 24 24 LEU CD2 C 13 24.772 0.300 . 2 . . . . 24 LEU CD2 . 10061 1 248 . 1 1 24 24 LEU N N 15 121.524 0.300 . 1 . . . . 24 LEU N . 10061 1 249 . 1 1 25 25 GLN H H 1 9.147 0.030 . 1 . . . . 25 GLN H . 10061 1 250 . 1 1 25 25 GLN HA H 1 4.703 0.030 . 1 . . . . 25 GLN HA . 10061 1 251 . 1 1 25 25 GLN HB2 H 1 1.927 0.030 . 1 . . . . 25 GLN HB2 . 10061 1 252 . 1 1 25 25 GLN HB3 H 1 1.927 0.030 . 1 . . . . 25 GLN HB3 . 10061 1 253 . 1 1 25 25 GLN HG2 H 1 2.247 0.030 . 1 . . . . 25 GLN HG2 . 10061 1 254 . 1 1 25 25 GLN HG3 H 1 2.247 0.030 . 1 . . . . 25 GLN HG3 . 10061 1 255 . 1 1 25 25 GLN HE21 H 1 7.236 0.030 . 2 . . . . 25 GLN HE21 . 10061 1 256 . 1 1 25 25 GLN HE22 H 1 6.832 0.030 . 2 . . . . 25 GLN HE22 . 10061 1 257 . 1 1 25 25 GLN C C 13 174.076 0.300 . 1 . . . . 25 GLN C . 10061 1 258 . 1 1 25 25 GLN CA C 13 54.222 0.300 . 1 . . . . 25 GLN CA . 10061 1 259 . 1 1 25 25 GLN CB C 13 32.601 0.300 . 1 . . . . 25 GLN CB . 10061 1 260 . 1 1 25 25 GLN CG C 13 33.574 0.300 . 1 . . . . 25 GLN CG . 10061 1 261 . 1 1 25 25 GLN N N 15 120.139 0.300 . 1 . . . . 25 GLN N . 10061 1 262 . 1 1 25 25 GLN NE2 N 15 111.792 0.300 . 1 . . . . 25 GLN NE2 . 10061 1 263 . 1 1 26 26 GLY H H 1 8.485 0.030 . 1 . . . . 26 GLY H . 10061 1 264 . 1 1 26 26 GLY HA2 H 1 3.395 0.030 . 2 . . . . 26 GLY HA2 . 10061 1 265 . 1 1 26 26 GLY HA3 H 1 4.661 0.030 . 2 . . . . 26 GLY HA3 . 10061 1 266 . 1 1 26 26 GLY C C 13 172.765 0.300 . 1 . . . . 26 GLY C . 10061 1 267 . 1 1 26 26 GLY CA C 13 44.768 0.300 . 1 . . . . 26 GLY CA . 10061 1 268 . 1 1 26 26 GLY N N 15 108.096 0.300 . 1 . . . . 26 GLY N . 10061 1 269 . 1 1 27 27 GLY H H 1 7.653 0.030 . 1 . . . . 27 GLY H . 10061 1 270 . 1 1 27 27 GLY HA2 H 1 4.120 0.030 . 2 . . . . 27 GLY HA2 . 10061 1 271 . 1 1 27 27 GLY HA3 H 1 4.925 0.030 . 2 . . . . 27 GLY HA3 . 10061 1 272 . 1 1 27 27 GLY C C 13 176.456 0.300 . 1 . . . . 27 GLY C . 10061 1 273 . 1 1 27 27 GLY CA C 13 43.445 0.300 . 1 . . . . 27 GLY CA . 10061 1 274 . 1 1 27 27 GLY N N 15 127.859 0.300 . 1 . . . . 27 GLY N . 10061 1 275 . 1 1 28 28 LYS H H 1 8.842 0.030 . 1 . . . . 28 LYS H . 10061 1 276 . 1 1 28 28 LYS HA H 1 4.250 0.030 . 1 . . . . 28 LYS HA . 10061 1 277 . 1 1 28 28 LYS HB2 H 1 1.817 0.030 . 2 . . . . 28 LYS HB2 . 10061 1 278 . 1 1 28 28 LYS HB3 H 1 1.534 0.030 . 2 . . . . 28 LYS HB3 . 10061 1 279 . 1 1 28 28 LYS HG2 H 1 1.474 0.030 . 2 . . . . 28 LYS HG2 . 10061 1 280 . 1 1 28 28 LYS HG3 H 1 1.366 0.030 . 2 . . . . 28 LYS HG3 . 10061 1 281 . 1 1 28 28 LYS HD2 H 1 1.760 0.030 . 2 . . . . 28 LYS HD2 . 10061 1 282 . 1 1 28 28 LYS HD3 H 1 1.601 0.030 . 2 . . . . 28 LYS HD3 . 10061 1 283 . 1 1 28 28 LYS HE2 H 1 2.981 0.030 . 1 . . . . 28 LYS HE2 . 10061 1 284 . 1 1 28 28 LYS HE3 H 1 2.981 0.030 . 1 . . . . 28 LYS HE3 . 10061 1 285 . 1 1 28 28 LYS C C 13 178.799 0.300 . 1 . . . . 28 LYS C . 10061 1 286 . 1 1 28 28 LYS CA C 13 59.920 0.300 . 1 . . . . 28 LYS CA . 10061 1 287 . 1 1 28 28 LYS CB C 13 32.798 0.300 . 1 . . . . 28 LYS CB . 10061 1 288 . 1 1 28 28 LYS CG C 13 24.278 0.300 . 1 . . . . 28 LYS CG . 10061 1 289 . 1 1 28 28 LYS CD C 13 29.154 0.300 . 1 . . . . 28 LYS CD . 10061 1 290 . 1 1 28 28 LYS CE C 13 42.217 0.300 . 1 . . . . 28 LYS CE . 10061 1 291 . 1 1 28 28 LYS N N 15 122.733 0.300 . 1 . . . . 28 LYS N . 10061 1 292 . 1 1 29 29 ASP H H 1 10.802 0.030 . 1 . . . . 29 ASP H . 10061 1 293 . 1 1 29 29 ASP HA H 1 4.329 0.030 . 1 . . . . 29 ASP HA . 10061 1 294 . 1 1 29 29 ASP HB2 H 1 2.733 0.030 . 2 . . . . 29 ASP HB2 . 10061 1 295 . 1 1 29 29 ASP HB3 H 1 2.514 0.030 . 2 . . . . 29 ASP HB3 . 10061 1 296 . 1 1 29 29 ASP C C 13 176.201 0.300 . 1 . . . . 29 ASP C . 10061 1 297 . 1 1 29 29 ASP CA C 13 54.276 0.300 . 1 . . . . 29 ASP CA . 10061 1 298 . 1 1 29 29 ASP CB C 13 36.829 0.300 . 1 . . . . 29 ASP CB . 10061 1 299 . 1 1 29 29 ASP N N 15 114.035 0.300 . 1 . . . . 29 ASP N . 10061 1 300 . 1 1 30 30 PHE H H 1 7.899 0.030 . 1 . . . . 30 PHE H . 10061 1 301 . 1 1 30 30 PHE HA H 1 4.567 0.030 . 1 . . . . 30 PHE HA . 10061 1 302 . 1 1 30 30 PHE HB2 H 1 2.702 0.030 . 2 . . . . 30 PHE HB2 . 10061 1 303 . 1 1 30 30 PHE HB3 H 1 3.477 0.030 . 2 . . . . 30 PHE HB3 . 10061 1 304 . 1 1 30 30 PHE HD1 H 1 7.164 0.030 . 1 . . . . 30 PHE HD1 . 10061 1 305 . 1 1 30 30 PHE HD2 H 1 7.164 0.030 . 1 . . . . 30 PHE HD2 . 10061 1 306 . 1 1 30 30 PHE HE1 H 1 7.208 0.030 . 1 . . . . 30 PHE HE1 . 10061 1 307 . 1 1 30 30 PHE HE2 H 1 7.208 0.030 . 1 . . . . 30 PHE HE2 . 10061 1 308 . 1 1 30 30 PHE C C 13 174.865 0.300 . 1 . . . . 30 PHE C . 10061 1 309 . 1 1 30 30 PHE CA C 13 57.663 0.300 . 1 . . . . 30 PHE CA . 10061 1 310 . 1 1 30 30 PHE CB C 13 40.573 0.300 . 1 . . . . 30 PHE CB . 10061 1 311 . 1 1 30 30 PHE CD1 C 13 131.598 0.300 . 1 . . . . 30 PHE CD1 . 10061 1 312 . 1 1 30 30 PHE CD2 C 13 131.598 0.300 . 1 . . . . 30 PHE CD2 . 10061 1 313 . 1 1 30 30 PHE CE1 C 13 131.663 0.300 . 1 . . . . 30 PHE CE1 . 10061 1 314 . 1 1 30 30 PHE CE2 C 13 131.663 0.300 . 1 . . . . 30 PHE CE2 . 10061 1 315 . 1 1 30 30 PHE N N 15 118.037 0.300 . 1 . . . . 30 PHE N . 10061 1 316 . 1 1 31 31 ASN H H 1 8.095 0.030 . 1 . . . . 31 ASN H . 10061 1 317 . 1 1 31 31 ASN HA H 1 4.467 0.030 . 1 . . . . 31 ASN HA . 10061 1 318 . 1 1 31 31 ASN HB2 H 1 3.153 0.030 . 2 . . . . 31 ASN HB2 . 10061 1 319 . 1 1 31 31 ASN HB3 H 1 2.823 0.030 . 2 . . . . 31 ASN HB3 . 10061 1 320 . 1 1 31 31 ASN HD21 H 1 7.575 0.030 . 2 . . . . 31 ASN HD21 . 10061 1 321 . 1 1 31 31 ASN HD22 H 1 6.832 0.030 . 2 . . . . 31 ASN HD22 . 10061 1 322 . 1 1 31 31 ASN C C 13 173.677 0.300 . 1 . . . . 31 ASN C . 10061 1 323 . 1 1 31 31 ASN CA C 13 54.467 0.300 . 1 . . . . 31 ASN CA . 10061 1 324 . 1 1 31 31 ASN CB C 13 37.626 0.300 . 1 . . . . 31 ASN CB . 10061 1 325 . 1 1 31 31 ASN N N 15 116.216 0.300 . 1 . . . . 31 ASN N . 10061 1 326 . 1 1 31 31 ASN ND2 N 15 112.576 0.300 . 1 . . . . 31 ASN ND2 . 10061 1 327 . 1 1 32 32 MET H H 1 7.398 0.030 . 1 . . . . 32 MET H . 10061 1 328 . 1 1 32 32 MET HA H 1 5.075 0.030 . 1 . . . . 32 MET HA . 10061 1 329 . 1 1 32 32 MET HB2 H 1 2.184 0.030 . 2 . . . . 32 MET HB2 . 10061 1 330 . 1 1 32 32 MET HB3 H 1 1.824 0.030 . 2 . . . . 32 MET HB3 . 10061 1 331 . 1 1 32 32 MET HG2 H 1 2.730 0.030 . 2 . . . . 32 MET HG2 . 10061 1 332 . 1 1 32 32 MET HG3 H 1 2.680 0.030 . 2 . . . . 32 MET HG3 . 10061 1 333 . 1 1 32 32 MET HE1 H 1 2.149 0.030 . 1 . . . . 32 MET HE . 10061 1 334 . 1 1 32 32 MET HE2 H 1 2.149 0.030 . 1 . . . . 32 MET HE . 10061 1 335 . 1 1 32 32 MET HE3 H 1 2.149 0.030 . 1 . . . . 32 MET HE . 10061 1 336 . 1 1 32 32 MET C C 13 173.481 0.300 . 1 . . . . 32 MET C . 10061 1 337 . 1 1 32 32 MET CA C 13 53.083 0.300 . 1 . . . . 32 MET CA . 10061 1 338 . 1 1 32 32 MET CB C 13 36.944 0.300 . 1 . . . . 32 MET CB . 10061 1 339 . 1 1 32 32 MET CG C 13 31.424 0.300 . 1 . . . . 32 MET CG . 10061 1 340 . 1 1 32 32 MET CE C 13 16.927 0.300 . 1 . . . . 32 MET CE . 10061 1 341 . 1 1 32 32 MET N N 15 114.509 0.300 . 1 . . . . 32 MET N . 10061 1 342 . 1 1 33 33 PRO HA H 1 4.451 0.030 . 1 . . . . 33 PRO HA . 10061 1 343 . 1 1 33 33 PRO HB2 H 1 1.775 0.030 . 2 . . . . 33 PRO HB2 . 10061 1 344 . 1 1 33 33 PRO HB3 H 1 2.326 0.030 . 2 . . . . 33 PRO HB3 . 10061 1 345 . 1 1 33 33 PRO HG2 H 1 1.951 0.030 . 2 . . . . 33 PRO HG2 . 10061 1 346 . 1 1 33 33 PRO HG3 H 1 2.011 0.030 . 2 . . . . 33 PRO HG3 . 10061 1 347 . 1 1 33 33 PRO HD2 H 1 3.690 0.030 . 2 . . . . 33 PRO HD2 . 10061 1 348 . 1 1 33 33 PRO HD3 H 1 3.817 0.030 . 2 . . . . 33 PRO HD3 . 10061 1 349 . 1 1 33 33 PRO C C 13 175.472 0.300 . 1 . . . . 33 PRO C . 10061 1 350 . 1 1 33 33 PRO CA C 13 62.403 0.300 . 1 . . . . 33 PRO CA . 10061 1 351 . 1 1 33 33 PRO CB C 13 32.378 0.300 . 1 . . . . 33 PRO CB . 10061 1 352 . 1 1 33 33 PRO CG C 13 27.137 0.300 . 1 . . . . 33 PRO CG . 10061 1 353 . 1 1 33 33 PRO CD C 13 50.712 0.300 . 1 . . . . 33 PRO CD . 10061 1 354 . 1 1 34 34 LEU H H 1 8.425 0.030 . 1 . . . . 34 LEU H . 10061 1 355 . 1 1 34 34 LEU HA H 1 5.009 0.030 . 1 . . . . 34 LEU HA . 10061 1 356 . 1 1 34 34 LEU HB2 H 1 1.657 0.030 . 2 . . . . 34 LEU HB2 . 10061 1 357 . 1 1 34 34 LEU HB3 H 1 1.779 0.030 . 2 . . . . 34 LEU HB3 . 10061 1 358 . 1 1 34 34 LEU HG H 1 1.538 0.030 . 1 . . . . 34 LEU HG . 10061 1 359 . 1 1 34 34 LEU HD11 H 1 0.858 0.030 . 1 . . . . 34 LEU HD1 . 10061 1 360 . 1 1 34 34 LEU HD12 H 1 0.858 0.030 . 1 . . . . 34 LEU HD1 . 10061 1 361 . 1 1 34 34 LEU HD13 H 1 0.858 0.030 . 1 . . . . 34 LEU HD1 . 10061 1 362 . 1 1 34 34 LEU HD21 H 1 0.839 0.030 . 1 . . . . 34 LEU HD2 . 10061 1 363 . 1 1 34 34 LEU HD22 H 1 0.839 0.030 . 1 . . . . 34 LEU HD2 . 10061 1 364 . 1 1 34 34 LEU HD23 H 1 0.839 0.030 . 1 . . . . 34 LEU HD2 . 10061 1 365 . 1 1 34 34 LEU C C 13 177.197 0.300 . 1 . . . . 34 LEU C . 10061 1 366 . 1 1 34 34 LEU CA C 13 54.999 0.300 . 1 . . . . 34 LEU CA . 10061 1 367 . 1 1 34 34 LEU CB C 13 42.879 0.300 . 1 . . . . 34 LEU CB . 10061 1 368 . 1 1 34 34 LEU CG C 13 27.369 0.300 . 1 . . . . 34 LEU CG . 10061 1 369 . 1 1 34 34 LEU CD1 C 13 25.137 0.300 . 2 . . . . 34 LEU CD1 . 10061 1 370 . 1 1 34 34 LEU CD2 C 13 25.852 0.300 . 2 . . . . 34 LEU CD2 . 10061 1 371 . 1 1 34 34 LEU N N 15 124.259 0.300 . 1 . . . . 34 LEU N . 10061 1 372 . 1 1 35 35 THR H H 1 9.145 0.030 . 1 . . . . 35 THR H . 10061 1 373 . 1 1 35 35 THR HA H 1 5.343 0.030 . 1 . . . . 35 THR HA . 10061 1 374 . 1 1 35 35 THR HB H 1 3.750 0.030 . 1 . . . . 35 THR HB . 10061 1 375 . 1 1 35 35 THR HG21 H 1 1.042 0.030 . 1 . . . . 35 THR HG2 . 10061 1 376 . 1 1 35 35 THR HG22 H 1 1.042 0.030 . 1 . . . . 35 THR HG2 . 10061 1 377 . 1 1 35 35 THR HG23 H 1 1.042 0.030 . 1 . . . . 35 THR HG2 . 10061 1 378 . 1 1 35 35 THR C C 13 174.404 0.300 . 1 . . . . 35 THR C . 10061 1 379 . 1 1 35 35 THR CA C 13 59.815 0.300 . 1 . . . . 35 THR CA . 10061 1 380 . 1 1 35 35 THR CB C 13 73.598 0.300 . 1 . . . . 35 THR CB . 10061 1 381 . 1 1 35 35 THR CG2 C 13 21.720 0.300 . 1 . . . . 35 THR CG2 . 10061 1 382 . 1 1 35 35 THR N N 15 117.385 0.300 . 1 . . . . 35 THR N . 10061 1 383 . 1 1 36 36 ILE H H 1 8.305 0.030 . 1 . . . . 36 ILE H . 10061 1 384 . 1 1 36 36 ILE HA H 1 4.387 0.030 . 1 . . . . 36 ILE HA . 10061 1 385 . 1 1 36 36 ILE HB H 1 2.221 0.030 . 1 . . . . 36 ILE HB . 10061 1 386 . 1 1 36 36 ILE HG12 H 1 1.202 0.030 . 2 . . . . 36 ILE HG12 . 10061 1 387 . 1 1 36 36 ILE HG13 H 1 1.247 0.030 . 2 . . . . 36 ILE HG13 . 10061 1 388 . 1 1 36 36 ILE HG21 H 1 0.825 0.030 . 1 . . . . 36 ILE HG2 . 10061 1 389 . 1 1 36 36 ILE HG22 H 1 0.825 0.030 . 1 . . . . 36 ILE HG2 . 10061 1 390 . 1 1 36 36 ILE HG23 H 1 0.825 0.030 . 1 . . . . 36 ILE HG2 . 10061 1 391 . 1 1 36 36 ILE HD11 H 1 0.330 0.030 . 1 . . . . 36 ILE HD1 . 10061 1 392 . 1 1 36 36 ILE HD12 H 1 0.330 0.030 . 1 . . . . 36 ILE HD1 . 10061 1 393 . 1 1 36 36 ILE HD13 H 1 0.330 0.030 . 1 . . . . 36 ILE HD1 . 10061 1 394 . 1 1 36 36 ILE C C 13 176.650 0.300 . 1 . . . . 36 ILE C . 10061 1 395 . 1 1 36 36 ILE CA C 13 59.815 0.300 . 1 . . . . 36 ILE CA . 10061 1 396 . 1 1 36 36 ILE CB C 13 36.304 0.300 . 1 . . . . 36 ILE CB . 10061 1 397 . 1 1 36 36 ILE CG1 C 13 26.469 0.300 . 1 . . . . 36 ILE CG1 . 10061 1 398 . 1 1 36 36 ILE CG2 C 13 18.157 0.300 . 1 . . . . 36 ILE CG2 . 10061 1 399 . 1 1 36 36 ILE CD1 C 13 11.420 0.300 . 1 . . . . 36 ILE CD1 . 10061 1 400 . 1 1 36 36 ILE N N 15 119.684 0.300 . 1 . . . . 36 ILE N . 10061 1 401 . 1 1 37 37 SER H H 1 9.251 0.030 . 1 . . . . 37 SER H . 10061 1 402 . 1 1 37 37 SER HA H 1 4.566 0.030 . 1 . . . . 37 SER HA . 10061 1 403 . 1 1 37 37 SER HB2 H 1 3.482 0.030 . 2 . . . . 37 SER HB2 . 10061 1 404 . 1 1 37 37 SER HB3 H 1 3.867 0.030 . 2 . . . . 37 SER HB3 . 10061 1 405 . 1 1 37 37 SER C C 13 174.610 0.300 . 1 . . . . 37 SER C . 10061 1 406 . 1 1 37 37 SER CA C 13 58.245 0.300 . 1 . . . . 37 SER CA . 10061 1 407 . 1 1 37 37 SER CB C 13 64.502 0.300 . 1 . . . . 37 SER CB . 10061 1 408 . 1 1 37 37 SER N N 15 126.125 0.300 . 1 . . . . 37 SER N . 10061 1 409 . 1 1 38 38 ARG H H 1 7.365 0.030 . 1 . . . . 38 ARG H . 10061 1 410 . 1 1 38 38 ARG HA H 1 4.444 0.030 . 1 . . . . 38 ARG HA . 10061 1 411 . 1 1 38 38 ARG HB2 H 1 1.782 0.030 . 2 . . . . 38 ARG HB2 . 10061 1 412 . 1 1 38 38 ARG HB3 H 1 1.652 0.030 . 2 . . . . 38 ARG HB3 . 10061 1 413 . 1 1 38 38 ARG HG2 H 1 1.619 0.030 . 2 . . . . 38 ARG HG2 . 10061 1 414 . 1 1 38 38 ARG HG3 H 1 1.537 0.030 . 2 . . . . 38 ARG HG3 . 10061 1 415 . 1 1 38 38 ARG HD2 H 1 3.182 0.030 . 1 . . . . 38 ARG HD2 . 10061 1 416 . 1 1 38 38 ARG HD3 H 1 3.182 0.030 . 1 . . . . 38 ARG HD3 . 10061 1 417 . 1 1 38 38 ARG C C 13 174.471 0.300 . 1 . . . . 38 ARG C . 10061 1 418 . 1 1 38 38 ARG CA C 13 55.951 0.300 . 1 . . . . 38 ARG CA . 10061 1 419 . 1 1 38 38 ARG CB C 13 33.620 0.300 . 1 . . . . 38 ARG CB . 10061 1 420 . 1 1 38 38 ARG CG C 13 27.087 0.300 . 1 . . . . 38 ARG CG . 10061 1 421 . 1 1 38 38 ARG CD C 13 43.388 0.300 . 1 . . . . 38 ARG CD . 10061 1 422 . 1 1 38 38 ARG N N 15 119.041 0.300 . 1 . . . . 38 ARG N . 10061 1 423 . 1 1 39 39 ILE H H 1 8.757 0.030 . 1 . . . . 39 ILE H . 10061 1 424 . 1 1 39 39 ILE HA H 1 4.724 0.030 . 1 . . . . 39 ILE HA . 10061 1 425 . 1 1 39 39 ILE HB H 1 1.704 0.030 . 1 . . . . 39 ILE HB . 10061 1 426 . 1 1 39 39 ILE HG12 H 1 0.831 0.030 . 2 . . . . 39 ILE HG12 . 10061 1 427 . 1 1 39 39 ILE HG13 H 1 1.471 0.030 . 2 . . . . 39 ILE HG13 . 10061 1 428 . 1 1 39 39 ILE HG21 H 1 0.772 0.030 . 1 . . . . 39 ILE HG2 . 10061 1 429 . 1 1 39 39 ILE HG22 H 1 0.772 0.030 . 1 . . . . 39 ILE HG2 . 10061 1 430 . 1 1 39 39 ILE HG23 H 1 0.772 0.030 . 1 . . . . 39 ILE HG2 . 10061 1 431 . 1 1 39 39 ILE HD11 H 1 0.650 0.030 . 1 . . . . 39 ILE HD1 . 10061 1 432 . 1 1 39 39 ILE HD12 H 1 0.650 0.030 . 1 . . . . 39 ILE HD1 . 10061 1 433 . 1 1 39 39 ILE HD13 H 1 0.650 0.030 . 1 . . . . 39 ILE HD1 . 10061 1 434 . 1 1 39 39 ILE C C 13 176.261 0.300 . 1 . . . . 39 ILE C . 10061 1 435 . 1 1 39 39 ILE CA C 13 59.832 0.300 . 1 . . . . 39 ILE CA . 10061 1 436 . 1 1 39 39 ILE CB C 13 40.290 0.300 . 1 . . . . 39 ILE CB . 10061 1 437 . 1 1 39 39 ILE CG1 C 13 28.158 0.300 . 1 . . . . 39 ILE CG1 . 10061 1 438 . 1 1 39 39 ILE CG2 C 13 17.165 0.300 . 1 . . . . 39 ILE CG2 . 10061 1 439 . 1 1 39 39 ILE CD1 C 13 14.058 0.300 . 1 . . . . 39 ILE CD1 . 10061 1 440 . 1 1 39 39 ILE N N 15 124.872 0.300 . 1 . . . . 39 ILE N . 10061 1 441 . 1 1 40 40 THR H H 1 9.334 0.030 . 1 . . . . 40 THR H . 10061 1 442 . 1 1 40 40 THR HA H 1 4.471 0.030 . 1 . . . . 40 THR HA . 10061 1 443 . 1 1 40 40 THR HB H 1 4.021 0.030 . 1 . . . . 40 THR HB . 10061 1 444 . 1 1 40 40 THR HG21 H 1 1.387 0.030 . 1 . . . . 40 THR HG2 . 10061 1 445 . 1 1 40 40 THR HG22 H 1 1.387 0.030 . 1 . . . . 40 THR HG2 . 10061 1 446 . 1 1 40 40 THR HG23 H 1 1.387 0.030 . 1 . . . . 40 THR HG2 . 10061 1 447 . 1 1 40 40 THR C C 13 172.704 0.300 . 1 . . . . 40 THR C . 10061 1 448 . 1 1 40 40 THR CA C 13 61.107 0.300 . 1 . . . . 40 THR CA . 10061 1 449 . 1 1 40 40 THR CB C 13 70.128 0.300 . 1 . . . . 40 THR CB . 10061 1 450 . 1 1 40 40 THR CG2 C 13 21.278 0.300 . 1 . . . . 40 THR CG2 . 10061 1 451 . 1 1 40 40 THR N N 15 127.824 0.300 . 1 . . . . 40 THR N . 10061 1 452 . 1 1 41 41 PRO HA H 1 4.390 0.030 . 1 . . . . 41 PRO HA . 10061 1 453 . 1 1 41 41 PRO HB2 H 1 2.393 0.030 . 2 . . . . 41 PRO HB2 . 10061 1 454 . 1 1 41 41 PRO HB3 H 1 1.944 0.030 . 2 . . . . 41 PRO HB3 . 10061 1 455 . 1 1 41 41 PRO HG2 H 1 2.076 0.030 . 2 . . . . 41 PRO HG2 . 10061 1 456 . 1 1 41 41 PRO HG3 H 1 2.209 0.030 . 2 . . . . 41 PRO HG3 . 10061 1 457 . 1 1 41 41 PRO HD2 H 1 4.278 0.030 . 2 . . . . 41 PRO HD2 . 10061 1 458 . 1 1 41 41 PRO HD3 H 1 3.804 0.030 . 2 . . . . 41 PRO HD3 . 10061 1 459 . 1 1 41 41 PRO C C 13 177.585 0.300 . 1 . . . . 41 PRO C . 10061 1 460 . 1 1 41 41 PRO CA C 13 64.168 0.300 . 1 . . . . 41 PRO CA . 10061 1 461 . 1 1 41 41 PRO CB C 13 31.785 0.300 . 1 . . . . 41 PRO CB . 10061 1 462 . 1 1 41 41 PRO CG C 13 27.748 0.300 . 1 . . . . 41 PRO CG . 10061 1 463 . 1 1 41 41 PRO CD C 13 51.807 0.300 . 1 . . . . 41 PRO CD . 10061 1 464 . 1 1 42 42 GLY H H 1 8.926 0.030 . 1 . . . . 42 GLY H . 10061 1 465 . 1 1 42 42 GLY HA2 H 1 4.155 0.030 . 2 . . . . 42 GLY HA2 . 10061 1 466 . 1 1 42 42 GLY HA3 H 1 3.796 0.030 . 2 . . . . 42 GLY HA3 . 10061 1 467 . 1 1 42 42 GLY C C 13 173.530 0.300 . 1 . . . . 42 GLY C . 10061 1 468 . 1 1 42 42 GLY CA C 13 45.579 0.300 . 1 . . . . 42 GLY CA . 10061 1 469 . 1 1 42 42 GLY N N 15 111.372 0.300 . 1 . . . . 42 GLY N . 10061 1 470 . 1 1 43 43 SER H H 1 7.464 0.030 . 1 . . . . 43 SER H . 10061 1 471 . 1 1 43 43 SER HA H 1 4.526 0.030 . 1 . . . . 43 SER HA . 10061 1 472 . 1 1 43 43 SER HB2 H 1 4.622 0.030 . 2 . . . . 43 SER HB2 . 10061 1 473 . 1 1 43 43 SER HB3 H 1 3.872 0.030 . 2 . . . . 43 SER HB3 . 10061 1 474 . 1 1 43 43 SER C C 13 175.423 0.300 . 1 . . . . 43 SER C . 10061 1 475 . 1 1 43 43 SER CA C 13 57.839 0.300 . 1 . . . . 43 SER CA . 10061 1 476 . 1 1 43 43 SER CB C 13 67.140 0.300 . 1 . . . . 43 SER CB . 10061 1 477 . 1 1 43 43 SER N N 15 114.380 0.300 . 1 . . . . 43 SER N . 10061 1 478 . 1 1 44 44 LYS H H 1 9.132 0.030 . 1 . . . . 44 LYS H . 10061 1 479 . 1 1 44 44 LYS HA H 1 4.193 0.030 . 1 . . . . 44 LYS HA . 10061 1 480 . 1 1 44 44 LYS HB2 H 1 2.247 0.030 . 2 . . . . 44 LYS HB2 . 10061 1 481 . 1 1 44 44 LYS HB3 H 1 2.156 0.030 . 2 . . . . 44 LYS HB3 . 10061 1 482 . 1 1 44 44 LYS HG2 H 1 1.859 0.030 . 2 . . . . 44 LYS HG2 . 10061 1 483 . 1 1 44 44 LYS HG3 H 1 1.683 0.030 . 2 . . . . 44 LYS HG3 . 10061 1 484 . 1 1 44 44 LYS HD2 H 1 2.101 0.030 . 2 . . . . 44 LYS HD2 . 10061 1 485 . 1 1 44 44 LYS HD3 H 1 1.843 0.030 . 2 . . . . 44 LYS HD3 . 10061 1 486 . 1 1 44 44 LYS HE2 H 1 3.154 0.030 . 2 . . . . 44 LYS HE2 . 10061 1 487 . 1 1 44 44 LYS HE3 H 1 3.088 0.030 . 2 . . . . 44 LYS HE3 . 10061 1 488 . 1 1 44 44 LYS C C 13 180.317 0.300 . 1 . . . . 44 LYS C . 10061 1 489 . 1 1 44 44 LYS CA C 13 60.353 0.300 . 1 . . . . 44 LYS CA . 10061 1 490 . 1 1 44 44 LYS CB C 13 32.745 0.300 . 1 . . . . 44 LYS CB . 10061 1 491 . 1 1 44 44 LYS CG C 13 26.863 0.300 . 1 . . . . 44 LYS CG . 10061 1 492 . 1 1 44 44 LYS CD C 13 29.484 0.300 . 1 . . . . 44 LYS CD . 10061 1 493 . 1 1 44 44 LYS CE C 13 42.839 0.300 . 1 . . . . 44 LYS CE . 10061 1 494 . 1 1 44 44 LYS N N 15 120.358 0.300 . 1 . . . . 44 LYS N . 10061 1 495 . 1 1 45 45 ALA H H 1 8.527 0.030 . 1 . . . . 45 ALA H . 10061 1 496 . 1 1 45 45 ALA HA H 1 4.063 0.030 . 1 . . . . 45 ALA HA . 10061 1 497 . 1 1 45 45 ALA HB1 H 1 1.576 0.030 . 1 . . . . 45 ALA HB . 10061 1 498 . 1 1 45 45 ALA HB2 H 1 1.576 0.030 . 1 . . . . 45 ALA HB . 10061 1 499 . 1 1 45 45 ALA HB3 H 1 1.576 0.030 . 1 . . . . 45 ALA HB . 10061 1 500 . 1 1 45 45 ALA C C 13 179.564 0.300 . 1 . . . . 45 ALA C . 10061 1 501 . 1 1 45 45 ALA CA C 13 55.140 0.300 . 1 . . . . 45 ALA CA . 10061 1 502 . 1 1 45 45 ALA CB C 13 19.619 0.300 . 1 . . . . 45 ALA CB . 10061 1 503 . 1 1 45 45 ALA N N 15 119.681 0.300 . 1 . . . . 45 ALA N . 10061 1 504 . 1 1 46 46 ALA H H 1 7.751 0.030 . 1 . . . . 46 ALA H . 10061 1 505 . 1 1 46 46 ALA HA H 1 4.228 0.030 . 1 . . . . 46 ALA HA . 10061 1 506 . 1 1 46 46 ALA HB1 H 1 1.675 0.030 . 1 . . . . 46 ALA HB . 10061 1 507 . 1 1 46 46 ALA HB2 H 1 1.675 0.030 . 1 . . . . 46 ALA HB . 10061 1 508 . 1 1 46 46 ALA HB3 H 1 1.675 0.030 . 1 . . . . 46 ALA HB . 10061 1 509 . 1 1 46 46 ALA C C 13 179.127 0.300 . 1 . . . . 46 ALA C . 10061 1 510 . 1 1 46 46 ALA CA C 13 54.417 0.300 . 1 . . . . 46 ALA CA . 10061 1 511 . 1 1 46 46 ALA CB C 13 18.412 0.300 . 1 . . . . 46 ALA CB . 10061 1 512 . 1 1 46 46 ALA N N 15 121.390 0.300 . 1 . . . . 46 ALA N . 10061 1 513 . 1 1 47 47 GLN H H 1 7.608 0.030 . 1 . . . . 47 GLN H . 10061 1 514 . 1 1 47 47 GLN HA H 1 4.420 0.030 . 1 . . . . 47 GLN HA . 10061 1 515 . 1 1 47 47 GLN HB2 H 1 2.387 0.030 . 2 . . . . 47 GLN HB2 . 10061 1 516 . 1 1 47 47 GLN HB3 H 1 2.110 0.030 . 2 . . . . 47 GLN HB3 . 10061 1 517 . 1 1 47 47 GLN HG2 H 1 2.557 0.030 . 2 . . . . 47 GLN HG2 . 10061 1 518 . 1 1 47 47 GLN HG3 H 1 2.486 0.030 . 2 . . . . 47 GLN HG3 . 10061 1 519 . 1 1 47 47 GLN HE21 H 1 7.168 0.030 . 2 . . . . 47 GLN HE21 . 10061 1 520 . 1 1 47 47 GLN HE22 H 1 6.857 0.030 . 2 . . . . 47 GLN HE22 . 10061 1 521 . 1 1 47 47 GLN C C 13 175.812 0.300 . 1 . . . . 47 GLN C . 10061 1 522 . 1 1 47 47 GLN CA C 13 55.934 0.300 . 1 . . . . 47 GLN CA . 10061 1 523 . 1 1 47 47 GLN CB C 13 28.617 0.300 . 1 . . . . 47 GLN CB . 10061 1 524 . 1 1 47 47 GLN CG C 13 34.061 0.300 . 1 . . . . 47 GLN CG . 10061 1 525 . 1 1 47 47 GLN N N 15 116.849 0.300 . 1 . . . . 47 GLN N . 10061 1 526 . 1 1 47 47 GLN NE2 N 15 111.355 0.300 . 1 . . . . 47 GLN NE2 . 10061 1 527 . 1 1 48 48 SER H H 1 7.607 0.030 . 1 . . . . 48 SER H . 10061 1 528 . 1 1 48 48 SER HA H 1 4.788 0.030 . 1 . . . . 48 SER HA . 10061 1 529 . 1 1 48 48 SER HB2 H 1 4.091 0.030 . 2 . . . . 48 SER HB2 . 10061 1 530 . 1 1 48 48 SER HB3 H 1 3.954 0.030 . 2 . . . . 48 SER HB3 . 10061 1 531 . 1 1 48 48 SER C C 13 173.008 0.300 . 1 . . . . 48 SER C . 10061 1 532 . 1 1 48 48 SER CA C 13 58.298 0.300 . 1 . . . . 48 SER CA . 10061 1 533 . 1 1 48 48 SER CB C 13 66.460 0.300 . 1 . . . . 48 SER CB . 10061 1 534 . 1 1 48 48 SER N N 15 115.696 0.300 . 1 . . . . 48 SER N . 10061 1 535 . 1 1 49 49 GLN H H 1 8.293 0.030 . 1 . . . . 49 GLN H . 10061 1 536 . 1 1 49 49 GLN HA H 1 4.123 0.030 . 1 . . . . 49 GLN HA . 10061 1 537 . 1 1 49 49 GLN HB2 H 1 2.006 0.030 . 2 . . . . 49 GLN HB2 . 10061 1 538 . 1 1 49 49 GLN HB3 H 1 1.944 0.030 . 2 . . . . 49 GLN HB3 . 10061 1 539 . 1 1 49 49 GLN HG2 H 1 2.284 0.030 . 2 . . . . 49 GLN HG2 . 10061 1 540 . 1 1 49 49 GLN HG3 H 1 2.222 0.030 . 2 . . . . 49 GLN HG3 . 10061 1 541 . 1 1 49 49 GLN HE21 H 1 7.388 0.030 . 2 . . . . 49 GLN HE21 . 10061 1 542 . 1 1 49 49 GLN HE22 H 1 6.826 0.030 . 2 . . . . 49 GLN HE22 . 10061 1 543 . 1 1 49 49 GLN C C 13 175.072 0.300 . 1 . . . . 49 GLN C . 10061 1 544 . 1 1 49 49 GLN CA C 13 56.428 0.300 . 1 . . . . 49 GLN CA . 10061 1 545 . 1 1 49 49 GLN CB C 13 28.589 0.300 . 1 . . . . 49 GLN CB . 10061 1 546 . 1 1 49 49 GLN CG C 13 34.445 0.300 . 1 . . . . 49 GLN CG . 10061 1 547 . 1 1 49 49 GLN N N 15 114.313 0.300 . 1 . . . . 49 GLN N . 10061 1 548 . 1 1 49 49 GLN NE2 N 15 112.094 0.300 . 1 . . . . 49 GLN NE2 . 10061 1 549 . 1 1 50 50 LEU H H 1 7.856 0.030 . 1 . . . . 50 LEU H . 10061 1 550 . 1 1 50 50 LEU HA H 1 4.408 0.030 . 1 . . . . 50 LEU HA . 10061 1 551 . 1 1 50 50 LEU HB2 H 1 1.474 0.030 . 2 . . . . 50 LEU HB2 . 10061 1 552 . 1 1 50 50 LEU HB3 H 1 1.096 0.030 . 2 . . . . 50 LEU HB3 . 10061 1 553 . 1 1 50 50 LEU HG H 1 1.782 0.030 . 1 . . . . 50 LEU HG . 10061 1 554 . 1 1 50 50 LEU HD11 H 1 0.545 0.030 . 1 . . . . 50 LEU HD1 . 10061 1 555 . 1 1 50 50 LEU HD12 H 1 0.545 0.030 . 1 . . . . 50 LEU HD1 . 10061 1 556 . 1 1 50 50 LEU HD13 H 1 0.545 0.030 . 1 . . . . 50 LEU HD1 . 10061 1 557 . 1 1 50 50 LEU HD21 H 1 0.565 0.030 . 1 . . . . 50 LEU HD2 . 10061 1 558 . 1 1 50 50 LEU HD22 H 1 0.565 0.030 . 1 . . . . 50 LEU HD2 . 10061 1 559 . 1 1 50 50 LEU HD23 H 1 0.565 0.030 . 1 . . . . 50 LEU HD2 . 10061 1 560 . 1 1 50 50 LEU C C 13 176.055 0.300 . 1 . . . . 50 LEU C . 10061 1 561 . 1 1 50 50 LEU CA C 13 56.374 0.300 . 1 . . . . 50 LEU CA . 10061 1 562 . 1 1 50 50 LEU CB C 13 43.628 0.300 . 1 . . . . 50 LEU CB . 10061 1 563 . 1 1 50 50 LEU CG C 13 27.183 0.300 . 1 . . . . 50 LEU CG . 10061 1 564 . 1 1 50 50 LEU CD1 C 13 25.350 0.300 . 2 . . . . 50 LEU CD1 . 10061 1 565 . 1 1 50 50 LEU CD2 C 13 25.230 0.300 . 2 . . . . 50 LEU CD2 . 10061 1 566 . 1 1 50 50 LEU N N 15 119.399 0.300 . 1 . . . . 50 LEU N . 10061 1 567 . 1 1 51 51 SER H H 1 6.933 0.030 . 1 . . . . 51 SER H . 10061 1 568 . 1 1 51 51 SER HA H 1 4.714 0.030 . 1 . . . . 51 SER HA . 10061 1 569 . 1 1 51 51 SER HB2 H 1 3.767 0.030 . 2 . . . . 51 SER HB2 . 10061 1 570 . 1 1 51 51 SER HB3 H 1 3.627 0.030 . 2 . . . . 51 SER HB3 . 10061 1 571 . 1 1 51 51 SER C C 13 173.312 0.300 . 1 . . . . 51 SER C . 10061 1 572 . 1 1 51 51 SER CA C 13 56.763 0.300 . 1 . . . . 51 SER CA . 10061 1 573 . 1 1 51 51 SER CB C 13 65.016 0.300 . 1 . . . . 51 SER CB . 10061 1 574 . 1 1 51 51 SER N N 15 112.964 0.300 . 1 . . . . 51 SER N . 10061 1 575 . 1 1 52 52 GLN H H 1 8.754 0.030 . 1 . . . . 52 GLN H . 10061 1 576 . 1 1 52 52 GLN HA H 1 3.635 0.030 . 1 . . . . 52 GLN HA . 10061 1 577 . 1 1 52 52 GLN HB2 H 1 1.984 0.030 . 1 . . . . 52 GLN HB2 . 10061 1 578 . 1 1 52 52 GLN HB3 H 1 1.984 0.030 . 1 . . . . 52 GLN HB3 . 10061 1 579 . 1 1 52 52 GLN HG2 H 1 2.292 0.030 . 2 . . . . 52 GLN HG2 . 10061 1 580 . 1 1 52 52 GLN HG3 H 1 2.232 0.030 . 2 . . . . 52 GLN HG3 . 10061 1 581 . 1 1 52 52 GLN HE21 H 1 7.494 0.030 . 2 . . . . 52 GLN HE21 . 10061 1 582 . 1 1 52 52 GLN HE22 H 1 6.916 0.030 . 2 . . . . 52 GLN HE22 . 10061 1 583 . 1 1 52 52 GLN C C 13 176.261 0.300 . 1 . . . . 52 GLN C . 10061 1 584 . 1 1 52 52 GLN CA C 13 58.121 0.300 . 1 . . . . 52 GLN CA . 10061 1 585 . 1 1 52 52 GLN CB C 13 28.147 0.300 . 1 . . . . 52 GLN CB . 10061 1 586 . 1 1 52 52 GLN CG C 13 34.197 0.300 . 1 . . . . 52 GLN CG . 10061 1 587 . 1 1 52 52 GLN N N 15 124.563 0.300 . 1 . . . . 52 GLN N . 10061 1 588 . 1 1 52 52 GLN NE2 N 15 111.398 0.300 . 1 . . . . 52 GLN NE2 . 10061 1 589 . 1 1 53 53 GLY H H 1 9.367 0.030 . 1 . . . . 53 GLY H . 10061 1 590 . 1 1 53 53 GLY HA2 H 1 3.617 0.030 . 2 . . . . 53 GLY HA2 . 10061 1 591 . 1 1 53 53 GLY HA3 H 1 4.471 0.030 . 2 . . . . 53 GLY HA3 . 10061 1 592 . 1 1 53 53 GLY C C 13 174.052 0.300 . 1 . . . . 53 GLY C . 10061 1 593 . 1 1 53 53 GLY CA C 13 44.662 0.300 . 1 . . . . 53 GLY CA . 10061 1 594 . 1 1 53 53 GLY N N 15 114.988 0.300 . 1 . . . . 53 GLY N . 10061 1 595 . 1 1 54 54 ASP H H 1 7.542 0.030 . 1 . . . . 54 ASP H . 10061 1 596 . 1 1 54 54 ASP HA H 1 4.681 0.030 . 1 . . . . 54 ASP HA . 10061 1 597 . 1 1 54 54 ASP HB2 H 1 2.715 0.030 . 2 . . . . 54 ASP HB2 . 10061 1 598 . 1 1 54 54 ASP HB3 H 1 2.562 0.030 . 2 . . . . 54 ASP HB3 . 10061 1 599 . 1 1 54 54 ASP C C 13 174.805 0.300 . 1 . . . . 54 ASP C . 10061 1 600 . 1 1 54 54 ASP CA C 13 55.651 0.300 . 1 . . . . 54 ASP CA . 10061 1 601 . 1 1 54 54 ASP CB C 13 40.744 0.300 . 1 . . . . 54 ASP CB . 10061 1 602 . 1 1 54 54 ASP N N 15 121.250 0.300 . 1 . . . . 54 ASP N . 10061 1 603 . 1 1 55 55 LEU H H 1 8.444 0.030 . 1 . . . . 55 LEU H . 10061 1 604 . 1 1 55 55 LEU HA H 1 4.613 0.030 . 1 . . . . 55 LEU HA . 10061 1 605 . 1 1 55 55 LEU HB2 H 1 1.674 0.030 . 2 . . . . 55 LEU HB2 . 10061 1 606 . 1 1 55 55 LEU HB3 H 1 1.593 0.030 . 2 . . . . 55 LEU HB3 . 10061 1 607 . 1 1 55 55 LEU HG H 1 1.637 0.030 . 1 . . . . 55 LEU HG . 10061 1 608 . 1 1 55 55 LEU HD11 H 1 0.813 0.030 . 1 . . . . 55 LEU HD1 . 10061 1 609 . 1 1 55 55 LEU HD12 H 1 0.813 0.030 . 1 . . . . 55 LEU HD1 . 10061 1 610 . 1 1 55 55 LEU HD13 H 1 0.813 0.030 . 1 . . . . 55 LEU HD1 . 10061 1 611 . 1 1 55 55 LEU HD21 H 1 0.893 0.030 . 1 . . . . 55 LEU HD2 . 10061 1 612 . 1 1 55 55 LEU HD22 H 1 0.893 0.030 . 1 . . . . 55 LEU HD2 . 10061 1 613 . 1 1 55 55 LEU HD23 H 1 0.893 0.030 . 1 . . . . 55 LEU HD2 . 10061 1 614 . 1 1 55 55 LEU C C 13 176.808 0.300 . 1 . . . . 55 LEU C . 10061 1 615 . 1 1 55 55 LEU CA C 13 55.105 0.300 . 1 . . . . 55 LEU CA . 10061 1 616 . 1 1 55 55 LEU CB C 13 42.886 0.300 . 1 . . . . 55 LEU CB . 10061 1 617 . 1 1 55 55 LEU CG C 13 28.079 0.300 . 1 . . . . 55 LEU CG . 10061 1 618 . 1 1 55 55 LEU CD1 C 13 24.912 0.300 . 2 . . . . 55 LEU CD1 . 10061 1 619 . 1 1 55 55 LEU CD2 C 13 25.098 0.300 . 2 . . . . 55 LEU CD2 . 10061 1 620 . 1 1 55 55 LEU N N 15 121.156 0.300 . 1 . . . . 55 LEU N . 10061 1 621 . 1 1 56 56 VAL H H 1 8.475 0.030 . 1 . . . . 56 VAL H . 10061 1 622 . 1 1 56 56 VAL HA H 1 4.133 0.030 . 1 . . . . 56 VAL HA . 10061 1 623 . 1 1 56 56 VAL HB H 1 1.882 0.030 . 1 . . . . 56 VAL HB . 10061 1 624 . 1 1 56 56 VAL HG11 H 1 0.706 0.030 . 1 . . . . 56 VAL HG1 . 10061 1 625 . 1 1 56 56 VAL HG12 H 1 0.706 0.030 . 1 . . . . 56 VAL HG1 . 10061 1 626 . 1 1 56 56 VAL HG13 H 1 0.706 0.030 . 1 . . . . 56 VAL HG1 . 10061 1 627 . 1 1 56 56 VAL HG21 H 1 0.671 0.030 . 1 . . . . 56 VAL HG2 . 10061 1 628 . 1 1 56 56 VAL HG22 H 1 0.671 0.030 . 1 . . . . 56 VAL HG2 . 10061 1 629 . 1 1 56 56 VAL HG23 H 1 0.671 0.030 . 1 . . . . 56 VAL HG2 . 10061 1 630 . 1 1 56 56 VAL C C 13 175.521 0.300 . 1 . . . . 56 VAL C . 10061 1 631 . 1 1 56 56 VAL CA C 13 62.002 0.300 . 1 . . . . 56 VAL CA . 10061 1 632 . 1 1 56 56 VAL CB C 13 30.856 0.300 . 1 . . . . 56 VAL CB . 10061 1 633 . 1 1 56 56 VAL CG1 C 13 22.603 0.300 . 2 . . . . 56 VAL CG1 . 10061 1 634 . 1 1 56 56 VAL CG2 C 13 21.173 0.300 . 2 . . . . 56 VAL CG2 . 10061 1 635 . 1 1 56 56 VAL N N 15 122.750 0.300 . 1 . . . . 56 VAL N . 10061 1 636 . 1 1 57 57 VAL H H 1 8.790 0.030 . 1 . . . . 57 VAL H . 10061 1 637 . 1 1 57 57 VAL HA H 1 4.121 0.030 . 1 . . . . 57 VAL HA . 10061 1 638 . 1 1 57 57 VAL HB H 1 1.944 0.030 . 1 . . . . 57 VAL HB . 10061 1 639 . 1 1 57 57 VAL HG11 H 1 0.845 0.030 . 1 . . . . 57 VAL HG1 . 10061 1 640 . 1 1 57 57 VAL HG12 H 1 0.845 0.030 . 1 . . . . 57 VAL HG1 . 10061 1 641 . 1 1 57 57 VAL HG13 H 1 0.845 0.030 . 1 . . . . 57 VAL HG1 . 10061 1 642 . 1 1 57 57 VAL HG21 H 1 0.715 0.030 . 1 . . . . 57 VAL HG2 . 10061 1 643 . 1 1 57 57 VAL HG22 H 1 0.715 0.030 . 1 . . . . 57 VAL HG2 . 10061 1 644 . 1 1 57 57 VAL HG23 H 1 0.715 0.030 . 1 . . . . 57 VAL HG2 . 10061 1 645 . 1 1 57 57 VAL C C 13 176.638 0.300 . 1 . . . . 57 VAL C . 10061 1 646 . 1 1 57 57 VAL CA C 13 63.395 0.300 . 1 . . . . 57 VAL CA . 10061 1 647 . 1 1 57 57 VAL CB C 13 32.624 0.300 . 1 . . . . 57 VAL CB . 10061 1 648 . 1 1 57 57 VAL CG1 C 13 21.336 0.300 . 2 . . . . 57 VAL CG1 . 10061 1 649 . 1 1 57 57 VAL CG2 C 13 20.433 0.300 . 2 . . . . 57 VAL CG2 . 10061 1 650 . 1 1 57 57 VAL N N 15 126.949 0.300 . 1 . . . . 57 VAL N . 10061 1 651 . 1 1 58 58 ALA H H 1 8.003 0.030 . 1 . . . . 58 ALA H . 10061 1 652 . 1 1 58 58 ALA HA H 1 5.193 0.030 . 1 . . . . 58 ALA HA . 10061 1 653 . 1 1 58 58 ALA HB1 H 1 1.093 0.030 . 1 . . . . 58 ALA HB . 10061 1 654 . 1 1 58 58 ALA HB2 H 1 1.093 0.030 . 1 . . . . 58 ALA HB . 10061 1 655 . 1 1 58 58 ALA HB3 H 1 1.093 0.030 . 1 . . . . 58 ALA HB . 10061 1 656 . 1 1 58 58 ALA C C 13 175.485 0.300 . 1 . . . . 58 ALA C . 10061 1 657 . 1 1 58 58 ALA CA C 13 52.529 0.300 . 1 . . . . 58 ALA CA . 10061 1 658 . 1 1 58 58 ALA CB C 13 21.677 0.300 . 1 . . . . 58 ALA CB . 10061 1 659 . 1 1 58 58 ALA N N 15 121.304 0.300 . 1 . . . . 58 ALA N . 10061 1 660 . 1 1 59 59 ILE H H 1 8.267 0.030 . 1 . . . . 59 ILE H . 10061 1 661 . 1 1 59 59 ILE HA H 1 4.334 0.030 . 1 . . . . 59 ILE HA . 10061 1 662 . 1 1 59 59 ILE HB H 1 1.316 0.030 . 1 . . . . 59 ILE HB . 10061 1 663 . 1 1 59 59 ILE HG12 H 1 1.269 0.030 . 2 . . . . 59 ILE HG12 . 10061 1 664 . 1 1 59 59 ILE HG13 H 1 0.625 0.030 . 2 . . . . 59 ILE HG13 . 10061 1 665 . 1 1 59 59 ILE HG21 H 1 0.720 0.030 . 1 . . . . 59 ILE HG2 . 10061 1 666 . 1 1 59 59 ILE HG22 H 1 0.720 0.030 . 1 . . . . 59 ILE HG2 . 10061 1 667 . 1 1 59 59 ILE HG23 H 1 0.720 0.030 . 1 . . . . 59 ILE HG2 . 10061 1 668 . 1 1 59 59 ILE HD11 H 1 0.763 0.030 . 1 . . . . 59 ILE HD1 . 10061 1 669 . 1 1 59 59 ILE HD12 H 1 0.763 0.030 . 1 . . . . 59 ILE HD1 . 10061 1 670 . 1 1 59 59 ILE HD13 H 1 0.763 0.030 . 1 . . . . 59 ILE HD1 . 10061 1 671 . 1 1 59 59 ILE C C 13 175.181 0.300 . 1 . . . . 59 ILE C . 10061 1 672 . 1 1 59 59 ILE CA C 13 60.432 0.300 . 1 . . . . 59 ILE CA . 10061 1 673 . 1 1 59 59 ILE CB C 13 41.496 0.300 . 1 . . . . 59 ILE CB . 10061 1 674 . 1 1 59 59 ILE CG1 C 13 26.848 0.300 . 1 . . . . 59 ILE CG1 . 10061 1 675 . 1 1 59 59 ILE CG2 C 13 18.202 0.300 . 1 . . . . 59 ILE CG2 . 10061 1 676 . 1 1 59 59 ILE CD1 C 13 14.276 0.300 . 1 . . . . 59 ILE CD1 . 10061 1 677 . 1 1 59 59 ILE N N 15 118.902 0.300 . 1 . . . . 59 ILE N . 10061 1 678 . 1 1 60 60 ASP H H 1 9.787 0.030 . 1 . . . . 60 ASP H . 10061 1 679 . 1 1 60 60 ASP HA H 1 4.301 0.030 . 1 . . . . 60 ASP HA . 10061 1 680 . 1 1 60 60 ASP HB2 H 1 3.026 0.030 . 2 . . . . 60 ASP HB2 . 10061 1 681 . 1 1 60 60 ASP HB3 H 1 2.475 0.030 . 2 . . . . 60 ASP HB3 . 10061 1 682 . 1 1 60 60 ASP C C 13 176.249 0.300 . 1 . . . . 60 ASP C . 10061 1 683 . 1 1 60 60 ASP CA C 13 55.669 0.300 . 1 . . . . 60 ASP CA . 10061 1 684 . 1 1 60 60 ASP CB C 13 39.920 0.300 . 1 . . . . 60 ASP CB . 10061 1 685 . 1 1 60 60 ASP N N 15 129.454 0.300 . 1 . . . . 60 ASP N . 10061 1 686 . 1 1 61 61 GLY H H 1 8.437 0.030 . 1 . . . . 61 GLY H . 10061 1 687 . 1 1 61 61 GLY HA2 H 1 4.072 0.030 . 2 . . . . 61 GLY HA2 . 10061 1 688 . 1 1 61 61 GLY HA3 H 1 3.503 0.030 . 2 . . . . 61 GLY HA3 . 10061 1 689 . 1 1 61 61 GLY C C 13 174.040 0.300 . 1 . . . . 61 GLY C . 10061 1 690 . 1 1 61 61 GLY CA C 13 45.245 0.300 . 1 . . . . 61 GLY CA . 10061 1 691 . 1 1 61 61 GLY N N 15 125.162 0.300 . 1 . . . . 61 GLY N . 10061 1 692 . 1 1 62 62 VAL H H 1 7.954 0.030 . 1 . . . . 62 VAL H . 10061 1 693 . 1 1 62 62 VAL HA H 1 4.112 0.030 . 1 . . . . 62 VAL HA . 10061 1 694 . 1 1 62 62 VAL HB H 1 2.041 0.030 . 1 . . . . 62 VAL HB . 10061 1 695 . 1 1 62 62 VAL HG11 H 1 0.953 0.030 . 1 . . . . 62 VAL HG1 . 10061 1 696 . 1 1 62 62 VAL HG12 H 1 0.953 0.030 . 1 . . . . 62 VAL HG1 . 10061 1 697 . 1 1 62 62 VAL HG13 H 1 0.953 0.030 . 1 . . . . 62 VAL HG1 . 10061 1 698 . 1 1 62 62 VAL HG21 H 1 0.922 0.030 . 1 . . . . 62 VAL HG2 . 10061 1 699 . 1 1 62 62 VAL HG22 H 1 0.922 0.030 . 1 . . . . 62 VAL HG2 . 10061 1 700 . 1 1 62 62 VAL HG23 H 1 0.922 0.030 . 1 . . . . 62 VAL HG2 . 10061 1 701 . 1 1 62 62 VAL C C 13 175.326 0.300 . 1 . . . . 62 VAL C . 10061 1 702 . 1 1 62 62 VAL CA C 13 61.931 0.300 . 1 . . . . 62 VAL CA . 10061 1 703 . 1 1 62 62 VAL CB C 13 32.436 0.300 . 1 . . . . 62 VAL CB . 10061 1 704 . 1 1 62 62 VAL CG1 C 13 21.404 0.300 . 1 . . . . 62 VAL CG1 . 10061 1 705 . 1 1 62 62 VAL CG2 C 13 21.404 0.300 . 1 . . . . 62 VAL CG2 . 10061 1 706 . 1 1 62 62 VAL N N 15 123.466 0.300 . 1 . . . . 62 VAL N . 10061 1 707 . 1 1 63 63 ASN H H 1 8.742 0.030 . 1 . . . . 63 ASN H . 10061 1 708 . 1 1 63 63 ASN HA H 1 5.021 0.030 . 1 . . . . 63 ASN HA . 10061 1 709 . 1 1 63 63 ASN HB2 H 1 2.888 0.030 . 2 . . . . 63 ASN HB2 . 10061 1 710 . 1 1 63 63 ASN HB3 H 1 3.022 0.030 . 2 . . . . 63 ASN HB3 . 10061 1 711 . 1 1 63 63 ASN HD21 H 1 7.705 0.030 . 2 . . . . 63 ASN HD21 . 10061 1 712 . 1 1 63 63 ASN HD22 H 1 6.870 0.030 . 2 . . . . 63 ASN HD22 . 10061 1 713 . 1 1 63 63 ASN C C 13 177.391 0.300 . 1 . . . . 63 ASN C . 10061 1 714 . 1 1 63 63 ASN CA C 13 54.046 0.300 . 1 . . . . 63 ASN CA . 10061 1 715 . 1 1 63 63 ASN CB C 13 38.808 0.300 . 1 . . . . 63 ASN CB . 10061 1 716 . 1 1 63 63 ASN N N 15 126.693 0.300 . 1 . . . . 63 ASN N . 10061 1 717 . 1 1 63 63 ASN ND2 N 15 112.201 0.300 . 1 . . . . 63 ASN ND2 . 10061 1 718 . 1 1 64 64 THR H H 1 8.203 0.030 . 1 . . . . 64 THR H . 10061 1 719 . 1 1 64 64 THR HA H 1 4.289 0.030 . 1 . . . . 64 THR HA . 10061 1 720 . 1 1 64 64 THR HB H 1 4.637 0.030 . 1 . . . . 64 THR HB . 10061 1 721 . 1 1 64 64 THR HG21 H 1 1.110 0.030 . 1 . . . . 64 THR HG2 . 10061 1 722 . 1 1 64 64 THR HG22 H 1 1.110 0.030 . 1 . . . . 64 THR HG2 . 10061 1 723 . 1 1 64 64 THR HG23 H 1 1.110 0.030 . 1 . . . . 64 THR HG2 . 10061 1 724 . 1 1 64 64 THR C C 13 176.990 0.300 . 1 . . . . 64 THR C . 10061 1 725 . 1 1 64 64 THR CA C 13 62.072 0.300 . 1 . . . . 64 THR CA . 10061 1 726 . 1 1 64 64 THR CB C 13 69.523 0.300 . 1 . . . . 64 THR CB . 10061 1 727 . 1 1 64 64 THR CG2 C 13 22.075 0.300 . 1 . . . . 64 THR CG2 . 10061 1 728 . 1 1 64 64 THR N N 15 112.923 0.300 . 1 . . . . 64 THR N . 10061 1 729 . 1 1 65 65 ASP H H 1 8.768 0.030 . 1 . . . . 65 ASP H . 10061 1 730 . 1 1 65 65 ASP HA H 1 4.397 0.030 . 1 . . . . 65 ASP HA . 10061 1 731 . 1 1 65 65 ASP HB2 H 1 2.815 0.030 . 1 . . . . 65 ASP HB2 . 10061 1 732 . 1 1 65 65 ASP HB3 H 1 2.815 0.030 . 1 . . . . 65 ASP HB3 . 10061 1 733 . 1 1 65 65 ASP C C 13 177.257 0.300 . 1 . . . . 65 ASP C . 10061 1 734 . 1 1 65 65 ASP CA C 13 57.310 0.300 . 1 . . . . 65 ASP CA . 10061 1 735 . 1 1 65 65 ASP CB C 13 39.868 0.300 . 1 . . . . 65 ASP CB . 10061 1 736 . 1 1 65 65 ASP N N 15 123.289 0.300 . 1 . . . . 65 ASP N . 10061 1 737 . 1 1 66 66 THR H H 1 7.661 0.030 . 1 . . . . 66 THR H . 10061 1 738 . 1 1 66 66 THR HA H 1 4.397 0.030 . 1 . . . . 66 THR HA . 10061 1 739 . 1 1 66 66 THR HB H 1 4.582 0.030 . 1 . . . . 66 THR HB . 10061 1 740 . 1 1 66 66 THR HG21 H 1 1.232 0.030 . 1 . . . . 66 THR HG2 . 10061 1 741 . 1 1 66 66 THR HG22 H 1 1.232 0.030 . 1 . . . . 66 THR HG2 . 10061 1 742 . 1 1 66 66 THR HG23 H 1 1.232 0.030 . 1 . . . . 66 THR HG2 . 10061 1 743 . 1 1 66 66 THR C C 13 174.805 0.300 . 1 . . . . 66 THR C . 10061 1 744 . 1 1 66 66 THR CA C 13 61.191 0.300 . 1 . . . . 66 THR CA . 10061 1 745 . 1 1 66 66 THR CB C 13 69.429 0.300 . 1 . . . . 66 THR CB . 10061 1 746 . 1 1 66 66 THR CG2 C 13 21.465 0.300 . 1 . . . . 66 THR CG2 . 10061 1 747 . 1 1 66 66 THR N N 15 106.347 0.300 . 1 . . . . 66 THR N . 10061 1 748 . 1 1 67 67 MET H H 1 7.888 0.030 . 1 . . . . 67 MET H . 10061 1 749 . 1 1 67 67 MET HA H 1 4.767 0.030 . 1 . . . . 67 MET HA . 10061 1 750 . 1 1 67 67 MET HB2 H 1 2.165 0.030 . 1 . . . . 67 MET HB2 . 10061 1 751 . 1 1 67 67 MET HB3 H 1 2.165 0.030 . 1 . . . . 67 MET HB3 . 10061 1 752 . 1 1 67 67 MET HG2 H 1 2.626 0.030 . 1 . . . . 67 MET HG2 . 10061 1 753 . 1 1 67 67 MET HG3 H 1 2.626 0.030 . 1 . . . . 67 MET HG3 . 10061 1 754 . 1 1 67 67 MET HE1 H 1 1.951 0.030 . 1 . . . . 67 MET HE . 10061 1 755 . 1 1 67 67 MET HE2 H 1 1.951 0.030 . 1 . . . . 67 MET HE . 10061 1 756 . 1 1 67 67 MET HE3 H 1 1.951 0.030 . 1 . . . . 67 MET HE . 10061 1 757 . 1 1 67 67 MET C C 13 177.925 0.300 . 1 . . . . 67 MET C . 10061 1 758 . 1 1 67 67 MET CA C 13 56.781 0.300 . 1 . . . . 67 MET CA . 10061 1 759 . 1 1 67 67 MET CB C 13 34.316 0.300 . 1 . . . . 67 MET CB . 10061 1 760 . 1 1 67 67 MET CG C 13 33.671 0.300 . 1 . . . . 67 MET CG . 10061 1 761 . 1 1 67 67 MET CE C 13 17.647 0.300 . 1 . . . . 67 MET CE . 10061 1 762 . 1 1 67 67 MET N N 15 121.704 0.300 . 1 . . . . 67 MET N . 10061 1 763 . 1 1 68 68 THR H H 1 8.703 0.030 . 1 . . . . 68 THR H . 10061 1 764 . 1 1 68 68 THR HA H 1 4.536 0.030 . 1 . . . . 68 THR HA . 10061 1 765 . 1 1 68 68 THR HB H 1 4.735 0.030 . 1 . . . . 68 THR HB . 10061 1 766 . 1 1 68 68 THR HG21 H 1 1.396 0.030 . 1 . . . . 68 THR HG2 . 10061 1 767 . 1 1 68 68 THR HG22 H 1 1.396 0.030 . 1 . . . . 68 THR HG2 . 10061 1 768 . 1 1 68 68 THR HG23 H 1 1.396 0.030 . 1 . . . . 68 THR HG2 . 10061 1 769 . 1 1 68 68 THR C C 13 174.720 0.300 . 1 . . . . 68 THR C . 10061 1 770 . 1 1 68 68 THR CA C 13 61.490 0.300 . 1 . . . . 68 THR CA . 10061 1 771 . 1 1 68 68 THR CB C 13 71.091 0.300 . 1 . . . . 68 THR CB . 10061 1 772 . 1 1 68 68 THR CG2 C 13 22.544 0.300 . 1 . . . . 68 THR CG2 . 10061 1 773 . 1 1 68 68 THR N N 15 113.357 0.300 . 1 . . . . 68 THR N . 10061 1 774 . 1 1 69 69 HIS H H 1 10.432 0.030 . 1 . . . . 69 HIS H . 10061 1 775 . 1 1 69 69 HIS HA H 1 4.150 0.030 . 1 . . . . 69 HIS HA . 10061 1 776 . 1 1 69 69 HIS HB2 H 1 3.754 0.030 . 2 . . . . 69 HIS HB2 . 10061 1 777 . 1 1 69 69 HIS HB3 H 1 3.543 0.030 . 2 . . . . 69 HIS HB3 . 10061 1 778 . 1 1 69 69 HIS HD2 H 1 7.070 0.030 . 1 . . . . 69 HIS HD2 . 10061 1 779 . 1 1 69 69 HIS HE1 H 1 7.975 0.030 . 1 . . . . 69 HIS HE1 . 10061 1 780 . 1 1 69 69 HIS C C 13 177.330 0.300 . 1 . . . . 69 HIS C . 10061 1 781 . 1 1 69 69 HIS CA C 13 61.719 0.300 . 1 . . . . 69 HIS CA . 10061 1 782 . 1 1 69 69 HIS CB C 13 29.365 0.300 . 1 . . . . 69 HIS CB . 10061 1 783 . 1 1 69 69 HIS CD2 C 13 123.074 0.300 . 1 . . . . 69 HIS CD2 . 10061 1 784 . 1 1 69 69 HIS CE1 C 13 136.963 0.300 . 1 . . . . 69 HIS CE1 . 10061 1 785 . 1 1 69 69 HIS N N 15 122.549 0.300 . 1 . . . . 69 HIS N . 10061 1 786 . 1 1 70 70 LEU H H 1 8.981 0.030 . 1 . . . . 70 LEU H . 10061 1 787 . 1 1 70 70 LEU HA H 1 4.091 0.030 . 1 . . . . 70 LEU HA . 10061 1 788 . 1 1 70 70 LEU HB2 H 1 1.683 0.030 . 1 . . . . 70 LEU HB2 . 10061 1 789 . 1 1 70 70 LEU HB3 H 1 1.683 0.030 . 1 . . . . 70 LEU HB3 . 10061 1 790 . 1 1 70 70 LEU HG H 1 1.620 0.030 . 1 . . . . 70 LEU HG . 10061 1 791 . 1 1 70 70 LEU HD11 H 1 1.008 0.030 . 1 . . . . 70 LEU HD1 . 10061 1 792 . 1 1 70 70 LEU HD12 H 1 1.008 0.030 . 1 . . . . 70 LEU HD1 . 10061 1 793 . 1 1 70 70 LEU HD13 H 1 1.008 0.030 . 1 . . . . 70 LEU HD1 . 10061 1 794 . 1 1 70 70 LEU HD21 H 1 0.956 0.030 . 1 . . . . 70 LEU HD2 . 10061 1 795 . 1 1 70 70 LEU HD22 H 1 0.956 0.030 . 1 . . . . 70 LEU HD2 . 10061 1 796 . 1 1 70 70 LEU HD23 H 1 0.956 0.030 . 1 . . . . 70 LEU HD2 . 10061 1 797 . 1 1 70 70 LEU C C 13 178.920 0.300 . 1 . . . . 70 LEU C . 10061 1 798 . 1 1 70 70 LEU CA C 13 57.733 0.300 . 1 . . . . 70 LEU CA . 10061 1 799 . 1 1 70 70 LEU CB C 13 42.186 0.300 . 1 . . . . 70 LEU CB . 10061 1 800 . 1 1 70 70 LEU CG C 13 26.942 0.300 . 1 . . . . 70 LEU CG . 10061 1 801 . 1 1 70 70 LEU CD1 C 13 23.896 0.300 . 2 . . . . 70 LEU CD1 . 10061 1 802 . 1 1 70 70 LEU CD2 C 13 25.139 0.300 . 2 . . . . 70 LEU CD2 . 10061 1 803 . 1 1 70 70 LEU N N 15 118.287 0.300 . 1 . . . . 70 LEU N . 10061 1 804 . 1 1 71 71 GLU H H 1 7.773 0.030 . 1 . . . . 71 GLU H . 10061 1 805 . 1 1 71 71 GLU HA H 1 3.974 0.030 . 1 . . . . 71 GLU HA . 10061 1 806 . 1 1 71 71 GLU HB2 H 1 2.308 0.030 . 2 . . . . 71 GLU HB2 . 10061 1 807 . 1 1 71 71 GLU HB3 H 1 1.942 0.030 . 2 . . . . 71 GLU HB3 . 10061 1 808 . 1 1 71 71 GLU HG2 H 1 2.388 0.030 . 2 . . . . 71 GLU HG2 . 10061 1 809 . 1 1 71 71 GLU HG3 H 1 2.318 0.030 . 2 . . . . 71 GLU HG3 . 10061 1 810 . 1 1 71 71 GLU C C 13 179.964 0.300 . 1 . . . . 71 GLU C . 10061 1 811 . 1 1 71 71 GLU CA C 13 59.462 0.300 . 1 . . . . 71 GLU CA . 10061 1 812 . 1 1 71 71 GLU CB C 13 29.825 0.300 . 1 . . . . 71 GLU CB . 10061 1 813 . 1 1 71 71 GLU CG C 13 37.256 0.300 . 1 . . . . 71 GLU CG . 10061 1 814 . 1 1 71 71 GLU N N 15 118.904 0.300 . 1 . . . . 71 GLU N . 10061 1 815 . 1 1 72 72 ALA H H 1 8.202 0.030 . 1 . . . . 72 ALA H . 10061 1 816 . 1 1 72 72 ALA HA H 1 4.118 0.030 . 1 . . . . 72 ALA HA . 10061 1 817 . 1 1 72 72 ALA HB1 H 1 1.334 0.030 . 1 . . . . 72 ALA HB . 10061 1 818 . 1 1 72 72 ALA HB2 H 1 1.334 0.030 . 1 . . . . 72 ALA HB . 10061 1 819 . 1 1 72 72 ALA HB3 H 1 1.334 0.030 . 1 . . . . 72 ALA HB . 10061 1 820 . 1 1 72 72 ALA C C 13 179.224 0.300 . 1 . . . . 72 ALA C . 10061 1 821 . 1 1 72 72 ALA CA C 13 55.457 0.300 . 1 . . . . 72 ALA CA . 10061 1 822 . 1 1 72 72 ALA CB C 13 19.278 0.300 . 1 . . . . 72 ALA CB . 10061 1 823 . 1 1 72 72 ALA N N 15 122.318 0.300 . 1 . . . . 72 ALA N . 10061 1 824 . 1 1 73 73 GLN H H 1 8.289 0.030 . 1 . . . . 73 GLN H . 10061 1 825 . 1 1 73 73 GLN HA H 1 3.913 0.030 . 1 . . . . 73 GLN HA . 10061 1 826 . 1 1 73 73 GLN HB2 H 1 2.150 0.030 . 2 . . . . 73 GLN HB2 . 10061 1 827 . 1 1 73 73 GLN HB3 H 1 2.076 0.030 . 2 . . . . 73 GLN HB3 . 10061 1 828 . 1 1 73 73 GLN HG2 H 1 2.204 0.030 . 2 . . . . 73 GLN HG2 . 10061 1 829 . 1 1 73 73 GLN HG3 H 1 2.371 0.030 . 2 . . . . 73 GLN HG3 . 10061 1 830 . 1 1 73 73 GLN HE21 H 1 7.349 0.030 . 2 . . . . 73 GLN HE21 . 10061 1 831 . 1 1 73 73 GLN HE22 H 1 6.967 0.030 . 2 . . . . 73 GLN HE22 . 10061 1 832 . 1 1 73 73 GLN C C 13 179.685 0.300 . 1 . . . . 73 GLN C . 10061 1 833 . 1 1 73 73 GLN CA C 13 59.004 0.300 . 1 . . . . 73 GLN CA . 10061 1 834 . 1 1 73 73 GLN CB C 13 28.878 0.300 . 1 . . . . 73 GLN CB . 10061 1 835 . 1 1 73 73 GLN CG C 13 33.832 0.300 . 1 . . . . 73 GLN CG . 10061 1 836 . 1 1 73 73 GLN N N 15 116.587 0.300 . 1 . . . . 73 GLN N . 10061 1 837 . 1 1 73 73 GLN NE2 N 15 111.663 0.300 . 1 . . . . 73 GLN NE2 . 10061 1 838 . 1 1 74 74 ASN H H 1 8.848 0.030 . 1 . . . . 74 ASN H . 10061 1 839 . 1 1 74 74 ASN HA H 1 4.555 0.030 . 1 . . . . 74 ASN HA . 10061 1 840 . 1 1 74 74 ASN HB2 H 1 2.962 0.030 . 2 . . . . 74 ASN HB2 . 10061 1 841 . 1 1 74 74 ASN HB3 H 1 2.825 0.030 . 2 . . . . 74 ASN HB3 . 10061 1 842 . 1 1 74 74 ASN HD21 H 1 7.660 0.030 . 2 . . . . 74 ASN HD21 . 10061 1 843 . 1 1 74 74 ASN HD22 H 1 6.819 0.030 . 2 . . . . 74 ASN HD22 . 10061 1 844 . 1 1 74 74 ASN C C 13 178.350 0.300 . 1 . . . . 74 ASN C . 10061 1 845 . 1 1 74 74 ASN CA C 13 55.549 0.300 . 1 . . . . 74 ASN CA . 10061 1 846 . 1 1 74 74 ASN CB C 13 37.512 0.300 . 1 . . . . 74 ASN CB . 10061 1 847 . 1 1 74 74 ASN N N 15 118.679 0.300 . 1 . . . . 74 ASN N . 10061 1 848 . 1 1 74 74 ASN ND2 N 15 111.016 0.300 . 1 . . . . 74 ASN ND2 . 10061 1 849 . 1 1 75 75 LYS H H 1 8.167 0.030 . 1 . . . . 75 LYS H . 10061 1 850 . 1 1 75 75 LYS HA H 1 4.167 0.030 . 1 . . . . 75 LYS HA . 10061 1 851 . 1 1 75 75 LYS HB2 H 1 2.034 0.030 . 1 . . . . 75 LYS HB2 . 10061 1 852 . 1 1 75 75 LYS HB3 H 1 2.034 0.030 . 1 . . . . 75 LYS HB3 . 10061 1 853 . 1 1 75 75 LYS HG2 H 1 1.480 0.030 . 1 . . . . 75 LYS HG2 . 10061 1 854 . 1 1 75 75 LYS HG3 H 1 1.480 0.030 . 1 . . . . 75 LYS HG3 . 10061 1 855 . 1 1 75 75 LYS HD2 H 1 1.770 0.030 . 2 . . . . 75 LYS HD2 . 10061 1 856 . 1 1 75 75 LYS HD3 H 1 1.627 0.030 . 2 . . . . 75 LYS HD3 . 10061 1 857 . 1 1 75 75 LYS HE2 H 1 2.948 0.030 . 1 . . . . 75 LYS HE2 . 10061 1 858 . 1 1 75 75 LYS HE3 H 1 2.948 0.030 . 1 . . . . 75 LYS HE3 . 10061 1 859 . 1 1 75 75 LYS C C 13 179.370 0.300 . 1 . . . . 75 LYS C . 10061 1 860 . 1 1 75 75 LYS CA C 13 58.456 0.300 . 1 . . . . 75 LYS CA . 10061 1 861 . 1 1 75 75 LYS CB C 13 31.639 0.300 . 1 . . . . 75 LYS CB . 10061 1 862 . 1 1 75 75 LYS CG C 13 24.854 0.300 . 1 . . . . 75 LYS CG . 10061 1 863 . 1 1 75 75 LYS CD C 13 28.523 0.300 . 1 . . . . 75 LYS CD . 10061 1 864 . 1 1 75 75 LYS CE C 13 42.134 0.300 . 1 . . . . 75 LYS CE . 10061 1 865 . 1 1 75 75 LYS N N 15 123.109 0.300 . 1 . . . . 75 LYS N . 10061 1 866 . 1 1 76 76 ILE H H 1 7.789 0.030 . 1 . . . . 76 ILE H . 10061 1 867 . 1 1 76 76 ILE HA H 1 3.804 0.030 . 1 . . . . 76 ILE HA . 10061 1 868 . 1 1 76 76 ILE HB H 1 2.102 0.030 . 1 . . . . 76 ILE HB . 10061 1 869 . 1 1 76 76 ILE HG12 H 1 1.327 0.030 . 2 . . . . 76 ILE HG12 . 10061 1 870 . 1 1 76 76 ILE HG13 H 1 1.773 0.030 . 2 . . . . 76 ILE HG13 . 10061 1 871 . 1 1 76 76 ILE HG21 H 1 1.004 0.030 . 1 . . . . 76 ILE HG2 . 10061 1 872 . 1 1 76 76 ILE HG22 H 1 1.004 0.030 . 1 . . . . 76 ILE HG2 . 10061 1 873 . 1 1 76 76 ILE HG23 H 1 1.004 0.030 . 1 . . . . 76 ILE HG2 . 10061 1 874 . 1 1 76 76 ILE HD11 H 1 0.863 0.030 . 1 . . . . 76 ILE HD1 . 10061 1 875 . 1 1 76 76 ILE HD12 H 1 0.863 0.030 . 1 . . . . 76 ILE HD1 . 10061 1 876 . 1 1 76 76 ILE HD13 H 1 0.863 0.030 . 1 . . . . 76 ILE HD1 . 10061 1 877 . 1 1 76 76 ILE C C 13 178.277 0.300 . 1 . . . . 76 ILE C . 10061 1 878 . 1 1 76 76 ILE CA C 13 64.507 0.300 . 1 . . . . 76 ILE CA . 10061 1 879 . 1 1 76 76 ILE CB C 13 37.656 0.300 . 1 . . . . 76 ILE CB . 10061 1 880 . 1 1 76 76 ILE CG1 C 13 29.259 0.300 . 1 . . . . 76 ILE CG1 . 10061 1 881 . 1 1 76 76 ILE CG2 C 13 18.051 0.300 . 1 . . . . 76 ILE CG2 . 10061 1 882 . 1 1 76 76 ILE CD1 C 13 13.912 0.300 . 1 . . . . 76 ILE CD1 . 10061 1 883 . 1 1 76 76 ILE N N 15 118.248 0.300 . 1 . . . . 76 ILE N . 10061 1 884 . 1 1 77 77 LYS H H 1 8.177 0.030 . 1 . . . . 77 LYS H . 10061 1 885 . 1 1 77 77 LYS HA H 1 4.282 0.030 . 1 . . . . 77 LYS HA . 10061 1 886 . 1 1 77 77 LYS HB2 H 1 2.018 0.030 . 1 . . . . 77 LYS HB2 . 10061 1 887 . 1 1 77 77 LYS HB3 H 1 2.018 0.030 . 1 . . . . 77 LYS HB3 . 10061 1 888 . 1 1 77 77 LYS HG2 H 1 1.662 0.030 . 2 . . . . 77 LYS HG2 . 10061 1 889 . 1 1 77 77 LYS HG3 H 1 1.583 0.030 . 2 . . . . 77 LYS HG3 . 10061 1 890 . 1 1 77 77 LYS HD2 H 1 1.757 0.030 . 1 . . . . 77 LYS HD2 . 10061 1 891 . 1 1 77 77 LYS HD3 H 1 1.757 0.030 . 1 . . . . 77 LYS HD3 . 10061 1 892 . 1 1 77 77 LYS HE2 H 1 3.015 0.030 . 1 . . . . 77 LYS HE2 . 10061 1 893 . 1 1 77 77 LYS HE3 H 1 3.015 0.030 . 1 . . . . 77 LYS HE3 . 10061 1 894 . 1 1 77 77 LYS C C 13 177.889 0.300 . 1 . . . . 77 LYS C . 10061 1 895 . 1 1 77 77 LYS CA C 13 58.880 0.300 . 1 . . . . 77 LYS CA . 10061 1 896 . 1 1 77 77 LYS CB C 13 32.846 0.300 . 1 . . . . 77 LYS CB . 10061 1 897 . 1 1 77 77 LYS CG C 13 25.369 0.300 . 1 . . . . 77 LYS CG . 10061 1 898 . 1 1 77 77 LYS CD C 13 29.430 0.300 . 1 . . . . 77 LYS CD . 10061 1 899 . 1 1 77 77 LYS CE C 13 42.134 0.300 . 1 . . . . 77 LYS CE . 10061 1 900 . 1 1 77 77 LYS N N 15 119.685 0.300 . 1 . . . . 77 LYS N . 10061 1 901 . 1 1 78 78 SER H H 1 7.770 0.030 . 1 . . . . 78 SER H . 10061 1 902 . 1 1 78 78 SER HA H 1 4.424 0.030 . 1 . . . . 78 SER HA . 10061 1 903 . 1 1 78 78 SER HB2 H 1 4.076 0.030 . 2 . . . . 78 SER HB2 . 10061 1 904 . 1 1 78 78 SER HB3 H 1 4.029 0.030 . 2 . . . . 78 SER HB3 . 10061 1 905 . 1 1 78 78 SER C C 13 173.846 0.300 . 1 . . . . 78 SER C . 10061 1 906 . 1 1 78 78 SER CA C 13 59.338 0.300 . 1 . . . . 78 SER CA . 10061 1 907 . 1 1 78 78 SER CB C 13 63.941 0.300 . 1 . . . . 78 SER CB . 10061 1 908 . 1 1 78 78 SER N N 15 112.632 0.300 . 1 . . . . 78 SER N . 10061 1 909 . 1 1 79 79 ALA H H 1 7.426 0.030 . 1 . . . . 79 ALA H . 10061 1 910 . 1 1 79 79 ALA HA H 1 4.493 0.030 . 1 . . . . 79 ALA HA . 10061 1 911 . 1 1 79 79 ALA HB1 H 1 1.685 0.030 . 1 . . . . 79 ALA HB . 10061 1 912 . 1 1 79 79 ALA HB2 H 1 1.685 0.030 . 1 . . . . 79 ALA HB . 10061 1 913 . 1 1 79 79 ALA HB3 H 1 1.685 0.030 . 1 . . . . 79 ALA HB . 10061 1 914 . 1 1 79 79 ALA C C 13 177.391 0.300 . 1 . . . . 79 ALA C . 10061 1 915 . 1 1 79 79 ALA CA C 13 53.058 0.300 . 1 . . . . 79 ALA CA . 10061 1 916 . 1 1 79 79 ALA CB C 13 19.517 0.300 . 1 . . . . 79 ALA CB . 10061 1 917 . 1 1 79 79 ALA N N 15 126.134 0.300 . 1 . . . . 79 ALA N . 10061 1 918 . 1 1 80 80 SER H H 1 8.713 0.030 . 1 . . . . 80 SER H . 10061 1 919 . 1 1 80 80 SER HA H 1 4.543 0.030 . 1 . . . . 80 SER HA . 10061 1 920 . 1 1 80 80 SER HB2 H 1 3.830 0.030 . 1 . . . . 80 SER HB2 . 10061 1 921 . 1 1 80 80 SER HB3 H 1 3.830 0.030 . 1 . . . . 80 SER HB3 . 10061 1 922 . 1 1 80 80 SER C C 13 174.659 0.300 . 1 . . . . 80 SER C . 10061 1 923 . 1 1 80 80 SER CA C 13 59.114 0.300 . 1 . . . . 80 SER CA . 10061 1 924 . 1 1 80 80 SER CB C 13 63.899 0.300 . 1 . . . . 80 SER CB . 10061 1 925 . 1 1 80 80 SER N N 15 117.652 0.300 . 1 . . . . 80 SER N . 10061 1 926 . 1 1 81 81 TYR H H 1 8.371 0.030 . 1 . . . . 81 TYR H . 10061 1 927 . 1 1 81 81 TYR HA H 1 4.478 0.030 . 1 . . . . 81 TYR HA . 10061 1 928 . 1 1 81 81 TYR HB2 H 1 3.148 0.030 . 1 . . . . 81 TYR HB2 . 10061 1 929 . 1 1 81 81 TYR HB3 H 1 3.148 0.030 . 1 . . . . 81 TYR HB3 . 10061 1 930 . 1 1 81 81 TYR HD1 H 1 7.226 0.030 . 1 . . . . 81 TYR HD1 . 10061 1 931 . 1 1 81 81 TYR HD2 H 1 7.226 0.030 . 1 . . . . 81 TYR HD2 . 10061 1 932 . 1 1 81 81 TYR HE1 H 1 6.882 0.030 . 1 . . . . 81 TYR HE1 . 10061 1 933 . 1 1 81 81 TYR HE2 H 1 6.882 0.030 . 1 . . . . 81 TYR HE2 . 10061 1 934 . 1 1 81 81 TYR C C 13 175.873 0.300 . 1 . . . . 81 TYR C . 10061 1 935 . 1 1 81 81 TYR CA C 13 60.626 0.300 . 1 . . . . 81 TYR CA . 10061 1 936 . 1 1 81 81 TYR CB C 13 38.972 0.300 . 1 . . . . 81 TYR CB . 10061 1 937 . 1 1 81 81 TYR CD1 C 13 133.157 0.300 . 1 . . . . 81 TYR CD1 . 10061 1 938 . 1 1 81 81 TYR CD2 C 13 133.157 0.300 . 1 . . . . 81 TYR CD2 . 10061 1 939 . 1 1 81 81 TYR CE1 C 13 118.267 0.300 . 1 . . . . 81 TYR CE1 . 10061 1 940 . 1 1 81 81 TYR CE2 C 13 118.267 0.300 . 1 . . . . 81 TYR CE2 . 10061 1 941 . 1 1 81 81 TYR N N 15 120.367 0.300 . 1 . . . . 81 TYR N . 10061 1 942 . 1 1 82 82 ASN H H 1 8.240 0.030 . 1 . . . . 82 ASN H . 10061 1 943 . 1 1 82 82 ASN HA H 1 5.204 0.030 . 1 . . . . 82 ASN HA . 10061 1 944 . 1 1 82 82 ASN HB2 H 1 2.787 0.030 . 2 . . . . 82 ASN HB2 . 10061 1 945 . 1 1 82 82 ASN HB3 H 1 2.717 0.030 . 2 . . . . 82 ASN HB3 . 10061 1 946 . 1 1 82 82 ASN HD21 H 1 7.507 0.030 . 2 . . . . 82 ASN HD21 . 10061 1 947 . 1 1 82 82 ASN HD22 H 1 6.902 0.030 . 2 . . . . 82 ASN HD22 . 10061 1 948 . 1 1 82 82 ASN C C 13 172.814 0.300 . 1 . . . . 82 ASN C . 10061 1 949 . 1 1 82 82 ASN CA C 13 52.317 0.300 . 1 . . . . 82 ASN CA . 10061 1 950 . 1 1 82 82 ASN CB C 13 40.873 0.300 . 1 . . . . 82 ASN CB . 10061 1 951 . 1 1 82 82 ASN N N 15 116.249 0.300 . 1 . . . . 82 ASN N . 10061 1 952 . 1 1 82 82 ASN ND2 N 15 112.682 0.300 . 1 . . . . 82 ASN ND2 . 10061 1 953 . 1 1 83 83 LEU H H 1 8.310 0.030 . 1 . . . . 83 LEU H . 10061 1 954 . 1 1 83 83 LEU HA H 1 4.562 0.030 . 1 . . . . 83 LEU HA . 10061 1 955 . 1 1 83 83 LEU HB2 H 1 0.401 0.030 . 2 . . . . 83 LEU HB2 . 10061 1 956 . 1 1 83 83 LEU HB3 H 1 0.573 0.030 . 2 . . . . 83 LEU HB3 . 10061 1 957 . 1 1 83 83 LEU HG H 1 0.910 0.030 . 1 . . . . 83 LEU HG . 10061 1 958 . 1 1 83 83 LEU HD11 H 1 0.740 0.030 . 1 . . . . 83 LEU HD1 . 10061 1 959 . 1 1 83 83 LEU HD12 H 1 0.740 0.030 . 1 . . . . 83 LEU HD1 . 10061 1 960 . 1 1 83 83 LEU HD13 H 1 0.740 0.030 . 1 . . . . 83 LEU HD1 . 10061 1 961 . 1 1 83 83 LEU HD21 H 1 0.138 0.030 . 1 . . . . 83 LEU HD2 . 10061 1 962 . 1 1 83 83 LEU HD22 H 1 0.138 0.030 . 1 . . . . 83 LEU HD2 . 10061 1 963 . 1 1 83 83 LEU HD23 H 1 0.138 0.030 . 1 . . . . 83 LEU HD2 . 10061 1 964 . 1 1 83 83 LEU C C 13 174.428 0.300 . 1 . . . . 83 LEU C . 10061 1 965 . 1 1 83 83 LEU CA C 13 54.392 0.300 . 1 . . . . 83 LEU CA . 10061 1 966 . 1 1 83 83 LEU CB C 13 44.520 0.300 . 1 . . . . 83 LEU CB . 10061 1 967 . 1 1 83 83 LEU CG C 13 27.122 0.300 . 1 . . . . 83 LEU CG . 10061 1 968 . 1 1 83 83 LEU CD1 C 13 23.380 0.300 . 2 . . . . 83 LEU CD1 . 10061 1 969 . 1 1 83 83 LEU CD2 C 13 26.143 0.300 . 2 . . . . 83 LEU CD2 . 10061 1 970 . 1 1 83 83 LEU N N 15 122.208 0.300 . 1 . . . . 83 LEU N . 10061 1 971 . 1 1 84 84 SER H H 1 8.953 0.030 . 1 . . . . 84 SER H . 10061 1 972 . 1 1 84 84 SER HA H 1 5.408 0.030 . 1 . . . . 84 SER HA . 10061 1 973 . 1 1 84 84 SER HB2 H 1 3.844 0.030 . 2 . . . . 84 SER HB2 . 10061 1 974 . 1 1 84 84 SER HB3 H 1 3.779 0.030 . 2 . . . . 84 SER HB3 . 10061 1 975 . 1 1 84 84 SER C C 13 173.336 0.300 . 1 . . . . 84 SER C . 10061 1 976 . 1 1 84 84 SER CA C 13 57.063 0.300 . 1 . . . . 84 SER CA . 10061 1 977 . 1 1 84 84 SER CB C 13 64.398 0.300 . 1 . . . . 84 SER CB . 10061 1 978 . 1 1 84 84 SER N N 15 123.194 0.300 . 1 . . . . 84 SER N . 10061 1 979 . 1 1 85 85 LEU H H 1 8.950 0.030 . 1 . . . . 85 LEU H . 10061 1 980 . 1 1 85 85 LEU HA H 1 5.041 0.030 . 1 . . . . 85 LEU HA . 10061 1 981 . 1 1 85 85 LEU HB2 H 1 1.516 0.030 . 2 . . . . 85 LEU HB2 . 10061 1 982 . 1 1 85 85 LEU HB3 H 1 1.154 0.030 . 2 . . . . 85 LEU HB3 . 10061 1 983 . 1 1 85 85 LEU HG H 1 1.327 0.030 . 1 . . . . 85 LEU HG . 10061 1 984 . 1 1 85 85 LEU HD11 H 1 0.407 0.030 . 1 . . . . 85 LEU HD1 . 10061 1 985 . 1 1 85 85 LEU HD12 H 1 0.407 0.030 . 1 . . . . 85 LEU HD1 . 10061 1 986 . 1 1 85 85 LEU HD13 H 1 0.407 0.030 . 1 . . . . 85 LEU HD1 . 10061 1 987 . 1 1 85 85 LEU HD21 H 1 0.766 0.030 . 1 . . . . 85 LEU HD2 . 10061 1 988 . 1 1 85 85 LEU HD22 H 1 0.766 0.030 . 1 . . . . 85 LEU HD2 . 10061 1 989 . 1 1 85 85 LEU HD23 H 1 0.766 0.030 . 1 . . . . 85 LEU HD2 . 10061 1 990 . 1 1 85 85 LEU C C 13 175.970 0.300 . 1 . . . . 85 LEU C . 10061 1 991 . 1 1 85 85 LEU CA C 13 53.235 0.300 . 1 . . . . 85 LEU CA . 10061 1 992 . 1 1 85 85 LEU CB C 13 47.124 0.300 . 1 . . . . 85 LEU CB . 10061 1 993 . 1 1 85 85 LEU CG C 13 26.890 0.300 . 1 . . . . 85 LEU CG . 10061 1 994 . 1 1 85 85 LEU CD1 C 13 26.104 0.300 . 2 . . . . 85 LEU CD1 . 10061 1 995 . 1 1 85 85 LEU CD2 C 13 24.689 0.300 . 2 . . . . 85 LEU CD2 . 10061 1 996 . 1 1 85 85 LEU N N 15 124.734 0.300 . 1 . . . . 85 LEU N . 10061 1 997 . 1 1 86 86 THR H H 1 8.473 0.030 . 1 . . . . 86 THR H . 10061 1 998 . 1 1 86 86 THR HA H 1 4.703 0.030 . 1 . . . . 86 THR HA . 10061 1 999 . 1 1 86 86 THR HB H 1 3.734 0.030 . 1 . . . . 86 THR HB . 10061 1 1000 . 1 1 86 86 THR HG21 H 1 1.088 0.030 . 1 . . . . 86 THR HG2 . 10061 1 1001 . 1 1 86 86 THR HG22 H 1 1.088 0.030 . 1 . . . . 86 THR HG2 . 10061 1 1002 . 1 1 86 86 THR HG23 H 1 1.088 0.030 . 1 . . . . 86 THR HG2 . 10061 1 1003 . 1 1 86 86 THR C C 13 173.056 0.300 . 1 . . . . 86 THR C . 10061 1 1004 . 1 1 86 86 THR CA C 13 62.532 0.300 . 1 . . . . 86 THR CA . 10061 1 1005 . 1 1 86 86 THR CB C 13 69.407 0.300 . 1 . . . . 86 THR CB . 10061 1 1006 . 1 1 86 86 THR CG2 C 13 21.735 0.300 . 1 . . . . 86 THR CG2 . 10061 1 1007 . 1 1 86 86 THR N N 15 118.836 0.300 . 1 . . . . 86 THR N . 10061 1 1008 . 1 1 87 87 LEU H H 1 9.169 0.030 . 1 . . . . 87 LEU H . 10061 1 1009 . 1 1 87 87 LEU HA H 1 5.579 0.030 . 1 . . . . 87 LEU HA . 10061 1 1010 . 1 1 87 87 LEU HB2 H 1 0.435 0.030 . 2 . . . . 87 LEU HB2 . 10061 1 1011 . 1 1 87 87 LEU HB3 H 1 1.263 0.030 . 2 . . . . 87 LEU HB3 . 10061 1 1012 . 1 1 87 87 LEU HG H 1 1.438 0.030 . 1 . . . . 87 LEU HG . 10061 1 1013 . 1 1 87 87 LEU HD11 H 1 0.544 0.030 . 1 . . . . 87 LEU HD1 . 10061 1 1014 . 1 1 87 87 LEU HD12 H 1 0.544 0.030 . 1 . . . . 87 LEU HD1 . 10061 1 1015 . 1 1 87 87 LEU HD13 H 1 0.544 0.030 . 1 . . . . 87 LEU HD1 . 10061 1 1016 . 1 1 87 87 LEU HD21 H 1 0.584 0.030 . 1 . . . . 87 LEU HD2 . 10061 1 1017 . 1 1 87 87 LEU HD22 H 1 0.584 0.030 . 1 . . . . 87 LEU HD2 . 10061 1 1018 . 1 1 87 87 LEU HD23 H 1 0.584 0.030 . 1 . . . . 87 LEU HD2 . 10061 1 1019 . 1 1 87 87 LEU C C 13 175.606 0.300 . 1 . . . . 87 LEU C . 10061 1 1020 . 1 1 87 87 LEU CA C 13 53.799 0.300 . 1 . . . . 87 LEU CA . 10061 1 1021 . 1 1 87 87 LEU CB C 13 45.236 0.300 . 1 . . . . 87 LEU CB . 10061 1 1022 . 1 1 87 87 LEU CG C 13 28.148 0.300 . 1 . . . . 87 LEU CG . 10061 1 1023 . 1 1 87 87 LEU CD1 C 13 26.123 0.300 . 2 . . . . 87 LEU CD1 . 10061 1 1024 . 1 1 87 87 LEU CD2 C 13 27.197 0.300 . 2 . . . . 87 LEU CD2 . 10061 1 1025 . 1 1 87 87 LEU N N 15 129.109 0.300 . 1 . . . . 87 LEU N . 10061 1 1026 . 1 1 88 88 GLN H H 1 8.754 0.030 . 1 . . . . 88 GLN H . 10061 1 1027 . 1 1 88 88 GLN HA H 1 4.974 0.030 . 1 . . . . 88 GLN HA . 10061 1 1028 . 1 1 88 88 GLN HB2 H 1 1.813 0.030 . 2 . . . . 88 GLN HB2 . 10061 1 1029 . 1 1 88 88 GLN HB3 H 1 1.870 0.030 . 2 . . . . 88 GLN HB3 . 10061 1 1030 . 1 1 88 88 GLN HG2 H 1 2.279 0.030 . 2 . . . . 88 GLN HG2 . 10061 1 1031 . 1 1 88 88 GLN HG3 H 1 2.146 0.030 . 2 . . . . 88 GLN HG3 . 10061 1 1032 . 1 1 88 88 GLN HE21 H 1 7.490 0.030 . 2 . . . . 88 GLN HE21 . 10061 1 1033 . 1 1 88 88 GLN HE22 H 1 6.744 0.030 . 2 . . . . 88 GLN HE22 . 10061 1 1034 . 1 1 88 88 GLN C C 13 175.218 0.300 . 1 . . . . 88 GLN C . 10061 1 1035 . 1 1 88 88 GLN CA C 13 54.505 0.300 . 1 . . . . 88 GLN CA . 10061 1 1036 . 1 1 88 88 GLN CB C 13 32.916 0.300 . 1 . . . . 88 GLN CB . 10061 1 1037 . 1 1 88 88 GLN CG C 13 34.310 0.300 . 1 . . . . 88 GLN CG . 10061 1 1038 . 1 1 88 88 GLN N N 15 118.150 0.300 . 1 . . . . 88 GLN N . 10061 1 1039 . 1 1 88 88 GLN NE2 N 15 111.194 0.300 . 1 . . . . 88 GLN NE2 . 10061 1 1040 . 1 1 89 89 LYS H H 1 8.741 0.030 . 1 . . . . 89 LYS H . 10061 1 1041 . 1 1 89 89 LYS HA H 1 4.411 0.030 . 1 . . . . 89 LYS HA . 10061 1 1042 . 1 1 89 89 LYS HB2 H 1 1.872 0.030 . 2 . . . . 89 LYS HB2 . 10061 1 1043 . 1 1 89 89 LYS HB3 H 1 2.049 0.030 . 2 . . . . 89 LYS HB3 . 10061 1 1044 . 1 1 89 89 LYS HG2 H 1 1.658 0.030 . 1 . . . . 89 LYS HG2 . 10061 1 1045 . 1 1 89 89 LYS HG3 H 1 1.658 0.030 . 1 . . . . 89 LYS HG3 . 10061 1 1046 . 1 1 89 89 LYS HD2 H 1 1.726 0.030 . 1 . . . . 89 LYS HD2 . 10061 1 1047 . 1 1 89 89 LYS HD3 H 1 1.726 0.030 . 1 . . . . 89 LYS HD3 . 10061 1 1048 . 1 1 89 89 LYS HE2 H 1 2.788 0.030 . 1 . . . . 89 LYS HE2 . 10061 1 1049 . 1 1 89 89 LYS HE3 H 1 2.788 0.030 . 1 . . . . 89 LYS HE3 . 10061 1 1050 . 1 1 89 89 LYS C C 13 176.784 0.300 . 1 . . . . 89 LYS C . 10061 1 1051 . 1 1 89 89 LYS CA C 13 56.392 0.300 . 1 . . . . 89 LYS CA . 10061 1 1052 . 1 1 89 89 LYS CB C 13 32.874 0.300 . 1 . . . . 89 LYS CB . 10061 1 1053 . 1 1 89 89 LYS CG C 13 24.854 0.300 . 1 . . . . 89 LYS CG . 10061 1 1054 . 1 1 89 89 LYS CD C 13 28.657 0.300 . 1 . . . . 89 LYS CD . 10061 1 1055 . 1 1 89 89 LYS CE C 13 42.051 0.300 . 1 . . . . 89 LYS CE . 10061 1 1056 . 1 1 89 89 LYS N N 15 124.530 0.300 . 1 . . . . 89 LYS N . 10061 1 1057 . 1 1 90 90 SER H H 1 8.371 0.030 . 1 . . . . 90 SER H . 10061 1 1058 . 1 1 90 90 SER HA H 1 4.242 0.030 . 1 . . . . 90 SER HA . 10061 1 1059 . 1 1 90 90 SER HB2 H 1 3.912 0.030 . 1 . . . . 90 SER HB2 . 10061 1 1060 . 1 1 90 90 SER HB3 H 1 3.912 0.030 . 1 . . . . 90 SER HB3 . 10061 1 1061 . 1 1 90 90 SER C C 13 179.187 0.300 . 1 . . . . 90 SER C . 10061 1 1062 . 1 1 90 90 SER CA C 13 60.367 0.300 . 1 . . . . 90 SER CA . 10061 1 1063 . 1 1 90 90 SER CB C 13 64.854 0.300 . 1 . . . . 90 SER CB . 10061 1 1064 . 1 1 90 90 SER N N 15 125.497 0.300 . 1 . . . . 90 SER N . 10061 1 stop_ save_