data_10066 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10066 _Entry.Title ; Solution structure of the third PDZ domain of human KIAA1526 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-25 _Entry.Accession_date 2006-12-26 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 10066 2 N. Kobayashi . . . 10066 3 S. Koshiba . . . 10066 4 T. Kigawa . . . 10066 5 M. Inoue . . . 10066 6 M. Shirouzu . . . 10066 7 T. Terada . . . 10066 8 T. Yabuki . . . 10066 9 M. Aoki . . . 10066 10 E. Seki . . . 10066 11 T. Matsuda . . . 10066 12 H. Hirota . . . 10066 13 M. Yoshida . . . 10066 14 A. Tanaka . . . 10066 15 T. Osanai . . . 10066 16 Y. Matsuo . . . 10066 17 O. Ohara . . . 10066 18 T. Nagase . . . 10066 19 R. Kikuno . . . 10066 20 M. Nakayama . . . 10066 21 S. Yokoyama . . . 10066 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' . 10066 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10066 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 406 10066 '15N chemical shifts' 88 10066 '1H chemical shifts' 660 10066 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 . . 2008-08-14 2006-12-25 original author . 10066 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UFX 'BMRB Entry Tracking System' 10066 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10066 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the third PDZ domain of human KIAA1526 protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Tochio . . . 10066 1 2 N. Kobayashi . . . 10066 1 3 S. Koshiba . . . 10066 1 4 T. Kigawa . . . 10066 1 5 M. Inoue . . . 10066 1 6 M. Shirouzu . . . 10066 1 7 T. Terada . . . 10066 1 8 T. Yabuki . . . 10066 1 9 M. Aoki . . . 10066 1 10 E. Seki . . . 10066 1 11 T. Matsuda . . . 10066 1 12 H. Hirota . . . 10066 1 13 M. Yoshida . . . 10066 1 14 A. Tanaka . . . 10066 1 15 T. Osanai . . . 10066 1 16 Y. Matsuo . . . 10066 1 17 O. Ohara . . . 10066 1 18 T. Nagase . . . 10066 1 19 R. Kikuno . . . 10066 1 20 M. Nakayama . . . 10066 1 21 S. Yokoyama . . . 10066 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10066 _Assembly.ID 1 _Assembly.Name 'KIAA1526 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' 10066 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 'KIAA1526 protein' 1 $entity_1 . . yes native no no . . . 10066 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 1UFX . . . . . . 10066 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10066 _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 ; GSSGSSGTLVRVKKSAATLG IAIEGGANTRQPLPRIVTIQ RGGSAHNCGQLKVGHVILEV NGLTLRGKEHREAARIIAEA FKTKDRDYIDFLVTEFNSGP SSG ; _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 103 _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 1UFX . "Solution Structure Of The Third Pdz Domain Of Human Kiaa1526 Protein" . . . . . 100.00 103 100.00 100.00 1.97e-66 . . . . 10066 1 2 no DBJ BAA96050 . "KIAA1526 protein [Homo sapiens]" . . . . . 89.32 907 97.83 98.91 1.56e-52 . . . . 10066 1 3 no DBJ BAB14275 . "unnamed protein product [Homo sapiens]" . . . . . 89.32 556 97.83 98.91 2.76e-54 . . . . 10066 1 4 no DBJ BAI45560 . "deafness, autosomal recessive 31 [synthetic construct]" . . . . . 89.32 907 97.83 98.91 1.56e-52 . . . . 10066 1 5 no EMBL CAB53685 . "hypothetical protein [Homo sapiens]" . . . . . 89.32 524 97.83 98.91 1.13e-54 . . . . 10066 1 6 no GB AAI36417 . "DFNB31 protein [Homo sapiens]" . . . . . 89.32 906 97.83 98.91 1.55e-52 . . . . 10066 1 7 no GB AAI42615 . "Deafness, autosomal recessive 31 [Homo sapiens]" . . . . . 89.32 907 97.83 98.91 1.56e-52 . . . . 10066 1 8 no GB AAI42685 . "Deafness, autosomal recessive 31 [Homo sapiens]" . . . . . 89.32 907 97.83 98.91 1.46e-52 . . . . 10066 1 9 no GB EAW87420 . "deafness, autosomal recessive 31, isoform CRA_a [Homo sapiens]" . . . . . 89.32 556 97.83 98.91 3.03e-54 . . . . 10066 1 10 no GB EAW87421 . "deafness, autosomal recessive 31, isoform CRA_b [Homo sapiens]" . . . . . 89.32 524 97.83 98.91 1.13e-54 . . . . 10066 1 11 no REF NP_001077354 . "whirlin isoform 2 [Homo sapiens]" . . . . . 89.32 524 97.83 98.91 1.13e-54 . . . . 10066 1 12 no REF NP_001166896 . "whirlin isoform 3 [Homo sapiens]" . . . . . 89.32 906 97.83 98.91 1.55e-52 . . . . 10066 1 13 no REF NP_056219 . "whirlin isoform 1 [Homo sapiens]" . . . . . 89.32 907 97.83 98.91 1.56e-52 . . . . 10066 1 14 no REF XP_001096493 . "PREDICTED: whirlin-like [Macaca mulatta]" . . . . . 89.32 907 97.83 98.91 1.26e-52 . . . . 10066 1 15 no REF XP_003911373 . "PREDICTED: whirlin isoform X1 [Papio anubis]" . . . . . 89.32 907 97.83 98.91 1.50e-52 . . . . 10066 1 16 no SP Q9P202 . "RecName: Full=Whirlin; AltName: Full=Autosomal recessive deafness type 31 protein" . . . . . 89.32 907 97.83 98.91 1.56e-52 . . . . 10066 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 10066 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 . 10066 1 2 . SER . 10066 1 3 . SER . 10066 1 4 . GLY . 10066 1 5 . SER . 10066 1 6 . SER . 10066 1 7 . GLY . 10066 1 8 . THR . 10066 1 9 . LEU . 10066 1 10 . VAL . 10066 1 11 . ARG . 10066 1 12 . VAL . 10066 1 13 . LYS . 10066 1 14 . LYS . 10066 1 15 . SER . 10066 1 16 . ALA . 10066 1 17 . ALA . 10066 1 18 . THR . 10066 1 19 . LEU . 10066 1 20 . GLY . 10066 1 21 . ILE . 10066 1 22 . ALA . 10066 1 23 . ILE . 10066 1 24 . GLU . 10066 1 25 . GLY . 10066 1 26 . GLY . 10066 1 27 . ALA . 10066 1 28 . ASN . 10066 1 29 . THR . 10066 1 30 . ARG . 10066 1 31 . GLN . 10066 1 32 . PRO . 10066 1 33 . LEU . 10066 1 34 . PRO . 10066 1 35 . ARG . 10066 1 36 . ILE . 10066 1 37 . VAL . 10066 1 38 . THR . 10066 1 39 . ILE . 10066 1 40 . GLN . 10066 1 41 . ARG . 10066 1 42 . GLY . 10066 1 43 . GLY . 10066 1 44 . SER . 10066 1 45 . ALA . 10066 1 46 . HIS . 10066 1 47 . ASN . 10066 1 48 . CYS . 10066 1 49 . GLY . 10066 1 50 . GLN . 10066 1 51 . LEU . 10066 1 52 . LYS . 10066 1 53 . VAL . 10066 1 54 . GLY . 10066 1 55 . HIS . 10066 1 56 . VAL . 10066 1 57 . ILE . 10066 1 58 . LEU . 10066 1 59 . GLU . 10066 1 60 . VAL . 10066 1 61 . ASN . 10066 1 62 . GLY . 10066 1 63 . LEU . 10066 1 64 . THR . 10066 1 65 . LEU . 10066 1 66 . ARG . 10066 1 67 . GLY . 10066 1 68 . LYS . 10066 1 69 . GLU . 10066 1 70 . HIS . 10066 1 71 . ARG . 10066 1 72 . GLU . 10066 1 73 . ALA . 10066 1 74 . ALA . 10066 1 75 . ARG . 10066 1 76 . ILE . 10066 1 77 . ILE . 10066 1 78 . ALA . 10066 1 79 . GLU . 10066 1 80 . ALA . 10066 1 81 . PHE . 10066 1 82 . LYS . 10066 1 83 . THR . 10066 1 84 . LYS . 10066 1 85 . ASP . 10066 1 86 . ARG . 10066 1 87 . ASP . 10066 1 88 . TYR . 10066 1 89 . ILE . 10066 1 90 . ASP . 10066 1 91 . PHE . 10066 1 92 . LEU . 10066 1 93 . VAL . 10066 1 94 . THR . 10066 1 95 . GLU . 10066 1 96 . PHE . 10066 1 97 . ASN . 10066 1 98 . SER . 10066 1 99 . GLY . 10066 1 100 . PRO . 10066 1 101 . SER . 10066 1 102 . SER . 10066 1 103 . GLY . 10066 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 10066 1 . SER 2 2 10066 1 . SER 3 3 10066 1 . GLY 4 4 10066 1 . SER 5 5 10066 1 . SER 6 6 10066 1 . GLY 7 7 10066 1 . THR 8 8 10066 1 . LEU 9 9 10066 1 . VAL 10 10 10066 1 . ARG 11 11 10066 1 . VAL 12 12 10066 1 . LYS 13 13 10066 1 . LYS 14 14 10066 1 . SER 15 15 10066 1 . ALA 16 16 10066 1 . ALA 17 17 10066 1 . THR 18 18 10066 1 . LEU 19 19 10066 1 . GLY 20 20 10066 1 . ILE 21 21 10066 1 . ALA 22 22 10066 1 . ILE 23 23 10066 1 . GLU 24 24 10066 1 . GLY 25 25 10066 1 . GLY 26 26 10066 1 . ALA 27 27 10066 1 . ASN 28 28 10066 1 . THR 29 29 10066 1 . ARG 30 30 10066 1 . GLN 31 31 10066 1 . PRO 32 32 10066 1 . LEU 33 33 10066 1 . PRO 34 34 10066 1 . ARG 35 35 10066 1 . ILE 36 36 10066 1 . VAL 37 37 10066 1 . THR 38 38 10066 1 . ILE 39 39 10066 1 . GLN 40 40 10066 1 . ARG 41 41 10066 1 . GLY 42 42 10066 1 . GLY 43 43 10066 1 . SER 44 44 10066 1 . ALA 45 45 10066 1 . HIS 46 46 10066 1 . ASN 47 47 10066 1 . CYS 48 48 10066 1 . GLY 49 49 10066 1 . GLN 50 50 10066 1 . LEU 51 51 10066 1 . LYS 52 52 10066 1 . VAL 53 53 10066 1 . GLY 54 54 10066 1 . HIS 55 55 10066 1 . VAL 56 56 10066 1 . ILE 57 57 10066 1 . LEU 58 58 10066 1 . GLU 59 59 10066 1 . VAL 60 60 10066 1 . ASN 61 61 10066 1 . GLY 62 62 10066 1 . LEU 63 63 10066 1 . THR 64 64 10066 1 . LEU 65 65 10066 1 . ARG 66 66 10066 1 . GLY 67 67 10066 1 . LYS 68 68 10066 1 . GLU 69 69 10066 1 . HIS 70 70 10066 1 . ARG 71 71 10066 1 . GLU 72 72 10066 1 . ALA 73 73 10066 1 . ALA 74 74 10066 1 . ARG 75 75 10066 1 . ILE 76 76 10066 1 . ILE 77 77 10066 1 . ALA 78 78 10066 1 . GLU 79 79 10066 1 . ALA 80 80 10066 1 . PHE 81 81 10066 1 . LYS 82 82 10066 1 . THR 83 83 10066 1 . LYS 84 84 10066 1 . ASP 85 85 10066 1 . ARG 86 86 10066 1 . ASP 87 87 10066 1 . TYR 88 88 10066 1 . ILE 89 89 10066 1 . ASP 90 90 10066 1 . PHE 91 91 10066 1 . LEU 92 92 10066 1 . VAL 93 93 10066 1 . THR 94 94 10066 1 . GLU 95 95 10066 1 . PHE 96 96 10066 1 . ASN 97 97 10066 1 . SER 98 98 10066 1 . GLY 99 99 10066 1 . PRO 100 100 10066 1 . SER 101 101 10066 1 . SER 102 102 10066 1 . GLY 103 103 10066 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 10066 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10066 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 10066 _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 . . P021030-48 . . . . . . 10066 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10066 _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 . . 1.2 . . mM . . . . 10066 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10066 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10066 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10066 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10066 1 6 H2O . . . . . . solvent 90 . . % . . . . 10066 1 7 D2O . . . . . . solvent 10 . . % . . . . 10066 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 10066 _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 10066 1 pH 7.0 0.05 pH 10066 1 pressure 1 0.001 atm 10066 1 temperature 298 0.1 K 10066 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10066 _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 . . 10066 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10066 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10066 _Software.ID 2 _Software.Name NMRPipe _Software.Version 200204025 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10066 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10066 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10066 _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.' . . 10066 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10066 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10066 _Software.ID 4 _Software.Name Kujira _Software.Version 0.816 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10066 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10066 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10066 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.14 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10066 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10066 5 'structure solution' 10066 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 10066 _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 10066 _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 . . . . . . . . . . . . . . . . 10066 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10066 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 10066 _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 10066 _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 10066 _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 . . . . . . . . . 10066 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10066 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10066 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 10066 _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 10066 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10066 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 6 6 SER HA H 1 4.514 0.030 . 1 . . . . 6 SER HA . 10066 1 2 . 1 1 6 6 SER HB2 H 1 3.898 0.030 . 1 . . . . 6 SER HB2 . 10066 1 3 . 1 1 6 6 SER HB3 H 1 3.898 0.030 . 1 . . . . 6 SER HB3 . 10066 1 4 . 1 1 6 6 SER C C 13 174.117 0.300 . 1 . . . . 6 SER C . 10066 1 5 . 1 1 6 6 SER CA C 13 58.609 0.300 . 1 . . . . 6 SER CA . 10066 1 6 . 1 1 6 6 SER CB C 13 63.955 0.300 . 1 . . . . 6 SER CB . 10066 1 7 . 1 1 7 7 GLY H H 1 8.098 0.030 . 1 . . . . 7 GLY H . 10066 1 8 . 1 1 7 7 GLY HA2 H 1 4.158 0.030 . 2 . . . . 7 GLY HA2 . 10066 1 9 . 1 1 7 7 GLY HA3 H 1 3.791 0.030 . 2 . . . . 7 GLY HA3 . 10066 1 10 . 1 1 7 7 GLY C C 13 172.785 0.300 . 1 . . . . 7 GLY C . 10066 1 11 . 1 1 7 7 GLY CA C 13 44.693 0.300 . 1 . . . . 7 GLY CA . 10066 1 12 . 1 1 7 7 GLY N N 15 108.916 0.300 . 1 . . . . 7 GLY N . 10066 1 13 . 1 1 8 8 THR H H 1 9.321 0.030 . 1 . . . . 8 THR H . 10066 1 14 . 1 1 8 8 THR HA H 1 4.439 0.030 . 1 . . . . 8 THR HA . 10066 1 15 . 1 1 8 8 THR HB H 1 3.793 0.030 . 1 . . . . 8 THR HB . 10066 1 16 . 1 1 8 8 THR HG21 H 1 1.108 0.030 . 1 . . . . 8 THR HG2 . 10066 1 17 . 1 1 8 8 THR HG22 H 1 1.108 0.030 . 1 . . . . 8 THR HG2 . 10066 1 18 . 1 1 8 8 THR HG23 H 1 1.108 0.030 . 1 . . . . 8 THR HG2 . 10066 1 19 . 1 1 8 8 THR C C 13 172.567 0.300 . 1 . . . . 8 THR C . 10066 1 20 . 1 1 8 8 THR CA C 13 61.737 0.300 . 1 . . . . 8 THR CA . 10066 1 21 . 1 1 8 8 THR CB C 13 71.195 0.300 . 1 . . . . 8 THR CB . 10066 1 22 . 1 1 8 8 THR CG2 C 13 21.199 0.300 . 1 . . . . 8 THR CG2 . 10066 1 23 . 1 1 8 8 THR N N 15 118.719 0.300 . 1 . . . . 8 THR N . 10066 1 24 . 1 1 9 9 LEU H H 1 8.713 0.030 . 1 . . . . 9 LEU H . 10066 1 25 . 1 1 9 9 LEU HA H 1 4.863 0.030 . 1 . . . . 9 LEU HA . 10066 1 26 . 1 1 9 9 LEU HB2 H 1 1.832 0.030 . 2 . . . . 9 LEU HB2 . 10066 1 27 . 1 1 9 9 LEU HB3 H 1 1.387 0.030 . 2 . . . . 9 LEU HB3 . 10066 1 28 . 1 1 9 9 LEU HG H 1 1.420 0.030 . 1 . . . . 9 LEU HG . 10066 1 29 . 1 1 9 9 LEU HD11 H 1 0.798 0.030 . 1 . . . . 9 LEU HD1 . 10066 1 30 . 1 1 9 9 LEU HD12 H 1 0.798 0.030 . 1 . . . . 9 LEU HD1 . 10066 1 31 . 1 1 9 9 LEU HD13 H 1 0.798 0.030 . 1 . . . . 9 LEU HD1 . 10066 1 32 . 1 1 9 9 LEU HD21 H 1 0.756 0.030 . 1 . . . . 9 LEU HD2 . 10066 1 33 . 1 1 9 9 LEU HD22 H 1 0.756 0.030 . 1 . . . . 9 LEU HD2 . 10066 1 34 . 1 1 9 9 LEU HD23 H 1 0.756 0.030 . 1 . . . . 9 LEU HD2 . 10066 1 35 . 1 1 9 9 LEU C C 13 176.153 0.300 . 1 . . . . 9 LEU C . 10066 1 36 . 1 1 9 9 LEU CA C 13 54.392 0.300 . 1 . . . . 9 LEU CA . 10066 1 37 . 1 1 9 9 LEU CB C 13 42.279 0.300 . 1 . . . . 9 LEU CB . 10066 1 38 . 1 1 9 9 LEU CG C 13 27.448 0.300 . 1 . . . . 9 LEU CG . 10066 1 39 . 1 1 9 9 LEU CD1 C 13 24.972 0.300 . 2 . . . . 9 LEU CD1 . 10066 1 40 . 1 1 9 9 LEU CD2 C 13 23.501 0.300 . 2 . . . . 9 LEU CD2 . 10066 1 41 . 1 1 9 9 LEU N N 15 130.563 0.300 . 1 . . . . 9 LEU N . 10066 1 42 . 1 1 10 10 VAL H H 1 9.681 0.030 . 1 . . . . 10 VAL H . 10066 1 43 . 1 1 10 10 VAL HA H 1 4.117 0.030 . 1 . . . . 10 VAL HA . 10066 1 44 . 1 1 10 10 VAL HB H 1 1.989 0.030 . 1 . . . . 10 VAL HB . 10066 1 45 . 1 1 10 10 VAL HG11 H 1 0.821 0.030 . 1 . . . . 10 VAL HG1 . 10066 1 46 . 1 1 10 10 VAL HG12 H 1 0.821 0.030 . 1 . . . . 10 VAL HG1 . 10066 1 47 . 1 1 10 10 VAL HG13 H 1 0.821 0.030 . 1 . . . . 10 VAL HG1 . 10066 1 48 . 1 1 10 10 VAL HG21 H 1 0.776 0.030 . 1 . . . . 10 VAL HG2 . 10066 1 49 . 1 1 10 10 VAL HG22 H 1 0.776 0.030 . 1 . . . . 10 VAL HG2 . 10066 1 50 . 1 1 10 10 VAL HG23 H 1 0.776 0.030 . 1 . . . . 10 VAL HG2 . 10066 1 51 . 1 1 10 10 VAL C C 13 173.560 0.300 . 1 . . . . 10 VAL C . 10066 1 52 . 1 1 10 10 VAL CA C 13 62.016 0.300 . 1 . . . . 10 VAL CA . 10066 1 53 . 1 1 10 10 VAL CB C 13 34.343 0.300 . 1 . . . . 10 VAL CB . 10066 1 54 . 1 1 10 10 VAL CG1 C 13 22.603 0.300 . 2 . . . . 10 VAL CG1 . 10066 1 55 . 1 1 10 10 VAL CG2 C 13 20.976 0.300 . 2 . . . . 10 VAL CG2 . 10066 1 56 . 1 1 10 10 VAL N N 15 130.290 0.300 . 1 . . . . 10 VAL N . 10066 1 57 . 1 1 11 11 ARG H H 1 8.654 0.030 . 1 . . . . 11 ARG H . 10066 1 58 . 1 1 11 11 ARG HA H 1 5.168 0.030 . 1 . . . . 11 ARG HA . 10066 1 59 . 1 1 11 11 ARG HB2 H 1 1.737 0.030 . 2 . . . . 11 ARG HB2 . 10066 1 60 . 1 1 11 11 ARG HB3 H 1 1.651 0.030 . 2 . . . . 11 ARG HB3 . 10066 1 61 . 1 1 11 11 ARG HG2 H 1 1.296 0.030 . 1 . . . . 11 ARG HG2 . 10066 1 62 . 1 1 11 11 ARG HG3 H 1 1.296 0.030 . 1 . . . . 11 ARG HG3 . 10066 1 63 . 1 1 11 11 ARG HD2 H 1 2.658 0.030 . 2 . . . . 11 ARG HD2 . 10066 1 64 . 1 1 11 11 ARG HD3 H 1 2.141 0.030 . 2 . . . . 11 ARG HD3 . 10066 1 65 . 1 1 11 11 ARG HE H 1 9.308 0.030 . 1 . . . . 11 ARG HE . 10066 1 66 . 1 1 11 11 ARG C C 13 175.741 0.300 . 1 . . . . 11 ARG C . 10066 1 67 . 1 1 11 11 ARG CA C 13 55.720 0.300 . 1 . . . . 11 ARG CA . 10066 1 68 . 1 1 11 11 ARG CB C 13 30.276 0.300 . 1 . . . . 11 ARG CB . 10066 1 69 . 1 1 11 11 ARG CG C 13 26.626 0.300 . 1 . . . . 11 ARG CG . 10066 1 70 . 1 1 11 11 ARG CD C 13 42.659 0.300 . 1 . . . . 11 ARG CD . 10066 1 71 . 1 1 11 11 ARG N N 15 129.689 0.300 . 1 . . . . 11 ARG N . 10066 1 72 . 1 1 11 11 ARG NE N 15 113.223 0.300 . 1 . . . . 11 ARG NE . 10066 1 73 . 1 1 12 12 VAL H H 1 9.541 0.030 . 1 . . . . 12 VAL H . 10066 1 74 . 1 1 12 12 VAL HA H 1 4.328 0.030 . 1 . . . . 12 VAL HA . 10066 1 75 . 1 1 12 12 VAL HB H 1 2.491 0.030 . 1 . . . . 12 VAL HB . 10066 1 76 . 1 1 12 12 VAL HG11 H 1 1.287 0.030 . 1 . . . . 12 VAL HG1 . 10066 1 77 . 1 1 12 12 VAL HG12 H 1 1.287 0.030 . 1 . . . . 12 VAL HG1 . 10066 1 78 . 1 1 12 12 VAL HG13 H 1 1.287 0.030 . 1 . . . . 12 VAL HG1 . 10066 1 79 . 1 1 12 12 VAL HG21 H 1 0.875 0.030 . 1 . . . . 12 VAL HG2 . 10066 1 80 . 1 1 12 12 VAL HG22 H 1 0.875 0.030 . 1 . . . . 12 VAL HG2 . 10066 1 81 . 1 1 12 12 VAL HG23 H 1 0.875 0.030 . 1 . . . . 12 VAL HG2 . 10066 1 82 . 1 1 12 12 VAL C C 13 176.153 0.300 . 1 . . . . 12 VAL C . 10066 1 83 . 1 1 12 12 VAL CA C 13 61.351 0.300 . 1 . . . . 12 VAL CA . 10066 1 84 . 1 1 12 12 VAL CB C 13 33.141 0.300 . 1 . . . . 12 VAL CB . 10066 1 85 . 1 1 12 12 VAL CG1 C 13 22.720 0.300 . 2 . . . . 12 VAL CG1 . 10066 1 86 . 1 1 12 12 VAL CG2 C 13 20.788 0.300 . 2 . . . . 12 VAL CG2 . 10066 1 87 . 1 1 12 12 VAL N N 15 129.860 0.300 . 1 . . . . 12 VAL N . 10066 1 88 . 1 1 13 13 LYS H H 1 9.190 0.030 . 1 . . . . 13 LYS H . 10066 1 89 . 1 1 13 13 LYS HA H 1 4.412 0.030 . 1 . . . . 13 LYS HA . 10066 1 90 . 1 1 13 13 LYS HB2 H 1 1.902 0.030 . 1 . . . . 13 LYS HB2 . 10066 1 91 . 1 1 13 13 LYS HB3 H 1 1.902 0.030 . 1 . . . . 13 LYS HB3 . 10066 1 92 . 1 1 13 13 LYS HG2 H 1 1.575 0.030 . 2 . . . . 13 LYS HG2 . 10066 1 93 . 1 1 13 13 LYS HG3 H 1 1.447 0.030 . 2 . . . . 13 LYS HG3 . 10066 1 94 . 1 1 13 13 LYS HD2 H 1 1.737 0.030 . 1 . . . . 13 LYS HD2 . 10066 1 95 . 1 1 13 13 LYS HD3 H 1 1.737 0.030 . 1 . . . . 13 LYS HD3 . 10066 1 96 . 1 1 13 13 LYS HE2 H 1 2.983 0.030 . 1 . . . . 13 LYS HE2 . 10066 1 97 . 1 1 13 13 LYS HE3 H 1 2.983 0.030 . 1 . . . . 13 LYS HE3 . 10066 1 98 . 1 1 13 13 LYS C C 13 178.406 0.300 . 1 . . . . 13 LYS C . 10066 1 99 . 1 1 13 13 LYS CA C 13 56.887 0.300 . 1 . . . . 13 LYS CA . 10066 1 100 . 1 1 13 13 LYS CB C 13 32.883 0.300 . 1 . . . . 13 LYS CB . 10066 1 101 . 1 1 13 13 LYS CG C 13 25.287 0.300 . 1 . . . . 13 LYS CG . 10066 1 102 . 1 1 13 13 LYS CD C 13 28.852 0.300 . 1 . . . . 13 LYS CD . 10066 1 103 . 1 1 13 13 LYS CE C 13 42.001 0.300 . 1 . . . . 13 LYS CE . 10066 1 104 . 1 1 13 13 LYS N N 15 128.329 0.300 . 1 . . . . 13 LYS N . 10066 1 105 . 1 1 14 14 LYS H H 1 8.574 0.030 . 1 . . . . 14 LYS H . 10066 1 106 . 1 1 14 14 LYS HA H 1 4.568 0.030 . 1 . . . . 14 LYS HA . 10066 1 107 . 1 1 14 14 LYS HB2 H 1 1.412 0.030 . 1 . . . . 14 LYS HB2 . 10066 1 108 . 1 1 14 14 LYS HB3 H 1 1.412 0.030 . 1 . . . . 14 LYS HB3 . 10066 1 109 . 1 1 14 14 LYS HG2 H 1 1.135 0.030 . 2 . . . . 14 LYS HG2 . 10066 1 110 . 1 1 14 14 LYS HG3 H 1 1.040 0.030 . 2 . . . . 14 LYS HG3 . 10066 1 111 . 1 1 14 14 LYS HE2 H 1 2.650 0.030 . 2 . . . . 14 LYS HE2 . 10066 1 112 . 1 1 14 14 LYS HE3 H 1 2.508 0.030 . 2 . . . . 14 LYS HE3 . 10066 1 113 . 1 1 14 14 LYS C C 13 175.256 0.300 . 1 . . . . 14 LYS C . 10066 1 114 . 1 1 14 14 LYS CA C 13 56.395 0.300 . 1 . . . . 14 LYS CA . 10066 1 115 . 1 1 14 14 LYS CB C 13 29.975 0.300 . 1 . . . . 14 LYS CB . 10066 1 116 . 1 1 14 14 LYS CG C 13 25.392 0.300 . 1 . . . . 14 LYS CG . 10066 1 117 . 1 1 14 14 LYS CE C 13 42.887 0.300 . 1 . . . . 14 LYS CE . 10066 1 118 . 1 1 14 14 LYS N N 15 126.298 0.300 . 1 . . . . 14 LYS N . 10066 1 119 . 1 1 15 15 SER H H 1 8.117 0.030 . 1 . . . . 15 SER H . 10066 1 120 . 1 1 15 15 SER HA H 1 4.456 0.030 . 1 . . . . 15 SER HA . 10066 1 121 . 1 1 15 15 SER HB2 H 1 4.200 0.030 . 2 . . . . 15 SER HB2 . 10066 1 122 . 1 1 15 15 SER HB3 H 1 3.673 0.030 . 2 . . . . 15 SER HB3 . 10066 1 123 . 1 1 15 15 SER C C 13 172.761 0.300 . 1 . . . . 15 SER C . 10066 1 124 . 1 1 15 15 SER CA C 13 58.082 0.300 . 1 . . . . 15 SER CA . 10066 1 125 . 1 1 15 15 SER CB C 13 64.230 0.300 . 1 . . . . 15 SER CB . 10066 1 126 . 1 1 15 15 SER N N 15 118.273 0.300 . 1 . . . . 15 SER N . 10066 1 127 . 1 1 16 16 ALA H H 1 8.097 0.030 . 1 . . . . 16 ALA H . 10066 1 128 . 1 1 16 16 ALA HA H 1 4.822 0.030 . 1 . . . . 16 ALA HA . 10066 1 129 . 1 1 16 16 ALA HB1 H 1 1.631 0.030 . 1 . . . . 16 ALA HB . 10066 1 130 . 1 1 16 16 ALA HB2 H 1 1.631 0.030 . 1 . . . . 16 ALA HB . 10066 1 131 . 1 1 16 16 ALA HB3 H 1 1.631 0.030 . 1 . . . . 16 ALA HB . 10066 1 132 . 1 1 16 16 ALA C C 13 176.686 0.300 . 1 . . . . 16 ALA C . 10066 1 133 . 1 1 16 16 ALA CA C 13 50.364 0.300 . 1 . . . . 16 ALA CA . 10066 1 134 . 1 1 16 16 ALA CB C 13 22.715 0.300 . 1 . . . . 16 ALA CB . 10066 1 135 . 1 1 16 16 ALA N N 15 125.195 0.300 . 1 . . . . 16 ALA N . 10066 1 136 . 1 1 17 17 ALA H H 1 8.751 0.030 . 1 . . . . 17 ALA H . 10066 1 137 . 1 1 17 17 ALA HA H 1 4.297 0.030 . 1 . . . . 17 ALA HA . 10066 1 138 . 1 1 17 17 ALA HB1 H 1 1.571 0.030 . 1 . . . . 17 ALA HB . 10066 1 139 . 1 1 17 17 ALA HB2 H 1 1.571 0.030 . 1 . . . . 17 ALA HB . 10066 1 140 . 1 1 17 17 ALA HB3 H 1 1.571 0.030 . 1 . . . . 17 ALA HB . 10066 1 141 . 1 1 17 17 ALA C C 13 177.388 0.300 . 1 . . . . 17 ALA C . 10066 1 142 . 1 1 17 17 ALA CA C 13 54.111 0.300 . 1 . . . . 17 ALA CA . 10066 1 143 . 1 1 17 17 ALA CB C 13 19.225 0.300 . 1 . . . . 17 ALA CB . 10066 1 144 . 1 1 17 17 ALA N N 15 119.860 0.300 . 1 . . . . 17 ALA N . 10066 1 145 . 1 1 18 18 THR H H 1 7.358 0.030 . 1 . . . . 18 THR H . 10066 1 146 . 1 1 18 18 THR HA H 1 4.622 0.030 . 1 . . . . 18 THR HA . 10066 1 147 . 1 1 18 18 THR HB H 1 4.121 0.030 . 1 . . . . 18 THR HB . 10066 1 148 . 1 1 18 18 THR HG21 H 1 1.143 0.030 . 1 . . . . 18 THR HG2 . 10066 1 149 . 1 1 18 18 THR HG22 H 1 1.143 0.030 . 1 . . . . 18 THR HG2 . 10066 1 150 . 1 1 18 18 THR HG23 H 1 1.143 0.030 . 1 . . . . 18 THR HG2 . 10066 1 151 . 1 1 18 18 THR C C 13 175.256 0.300 . 1 . . . . 18 THR C . 10066 1 152 . 1 1 18 18 THR CA C 13 58.843 0.300 . 1 . . . . 18 THR CA . 10066 1 153 . 1 1 18 18 THR CB C 13 72.049 0.300 . 1 . . . . 18 THR CB . 10066 1 154 . 1 1 18 18 THR CG2 C 13 21.811 0.300 . 1 . . . . 18 THR CG2 . 10066 1 155 . 1 1 18 18 THR N N 15 102.485 0.300 . 1 . . . . 18 THR N . 10066 1 156 . 1 1 19 19 LEU H H 1 7.256 0.030 . 1 . . . . 19 LEU H . 10066 1 157 . 1 1 19 19 LEU HA H 1 3.791 0.030 . 1 . . . . 19 LEU HA . 10066 1 158 . 1 1 19 19 LEU HB2 H 1 1.617 0.030 . 2 . . . . 19 LEU HB2 . 10066 1 159 . 1 1 19 19 LEU HB3 H 1 0.357 0.030 . 2 . . . . 19 LEU HB3 . 10066 1 160 . 1 1 19 19 LEU HG H 1 1.375 0.030 . 1 . . . . 19 LEU HG . 10066 1 161 . 1 1 19 19 LEU HD11 H 1 0.998 0.030 . 1 . . . . 19 LEU HD1 . 10066 1 162 . 1 1 19 19 LEU HD12 H 1 0.998 0.030 . 1 . . . . 19 LEU HD1 . 10066 1 163 . 1 1 19 19 LEU HD13 H 1 0.998 0.030 . 1 . . . . 19 LEU HD1 . 10066 1 164 . 1 1 19 19 LEU HD21 H 1 0.976 0.030 . 1 . . . . 19 LEU HD2 . 10066 1 165 . 1 1 19 19 LEU HD22 H 1 0.976 0.030 . 1 . . . . 19 LEU HD2 . 10066 1 166 . 1 1 19 19 LEU HD23 H 1 0.976 0.030 . 1 . . . . 19 LEU HD2 . 10066 1 167 . 1 1 19 19 LEU CA C 13 56.829 0.300 . 1 . . . . 19 LEU CA . 10066 1 168 . 1 1 19 19 LEU CB C 13 40.366 0.300 . 1 . . . . 19 LEU CB . 10066 1 169 . 1 1 19 19 LEU CG C 13 27.317 0.300 . 1 . . . . 19 LEU CG . 10066 1 170 . 1 1 19 19 LEU CD1 C 13 27.224 0.300 . 2 . . . . 19 LEU CD1 . 10066 1 171 . 1 1 19 19 LEU CD2 C 13 22.726 0.300 . 2 . . . . 19 LEU CD2 . 10066 1 172 . 1 1 20 20 GLY HA2 H 1 3.967 0.030 . 2 . . . . 20 GLY HA2 . 10066 1 173 . 1 1 20 20 GLY HA3 H 1 3.859 0.030 . 2 . . . . 20 GLY HA3 . 10066 1 174 . 1 1 20 20 GLY C C 13 174.796 0.300 . 1 . . . . 20 GLY C . 10066 1 175 . 1 1 20 20 GLY CA C 13 47.680 0.300 . 1 . . . . 20 GLY CA . 10066 1 176 . 1 1 21 21 ILE H H 1 7.525 0.030 . 1 . . . . 21 ILE H . 10066 1 177 . 1 1 21 21 ILE HA H 1 5.070 0.030 . 1 . . . . 21 ILE HA . 10066 1 178 . 1 1 21 21 ILE HB H 1 1.573 0.030 . 1 . . . . 21 ILE HB . 10066 1 179 . 1 1 21 21 ILE HG12 H 1 1.306 0.030 . 2 . . . . 21 ILE HG12 . 10066 1 180 . 1 1 21 21 ILE HG13 H 1 0.742 0.030 . 2 . . . . 21 ILE HG13 . 10066 1 181 . 1 1 21 21 ILE HG21 H 1 0.671 0.030 . 1 . . . . 21 ILE HG2 . 10066 1 182 . 1 1 21 21 ILE HG22 H 1 0.671 0.030 . 1 . . . . 21 ILE HG2 . 10066 1 183 . 1 1 21 21 ILE HG23 H 1 0.671 0.030 . 1 . . . . 21 ILE HG2 . 10066 1 184 . 1 1 21 21 ILE HD11 H 1 0.525 0.030 . 1 . . . . 21 ILE HD1 . 10066 1 185 . 1 1 21 21 ILE HD12 H 1 0.525 0.030 . 1 . . . . 21 ILE HD1 . 10066 1 186 . 1 1 21 21 ILE HD13 H 1 0.525 0.030 . 1 . . . . 21 ILE HD1 . 10066 1 187 . 1 1 21 21 ILE C C 13 174.408 0.300 . 1 . . . . 21 ILE C . 10066 1 188 . 1 1 21 21 ILE CA C 13 59.738 0.300 . 1 . . . . 21 ILE CA . 10066 1 189 . 1 1 21 21 ILE CB C 13 41.919 0.300 . 1 . . . . 21 ILE CB . 10066 1 190 . 1 1 21 21 ILE CG1 C 13 26.199 0.300 . 1 . . . . 21 ILE CG1 . 10066 1 191 . 1 1 21 21 ILE CG2 C 13 18.262 0.300 . 1 . . . . 21 ILE CG2 . 10066 1 192 . 1 1 21 21 ILE CD1 C 13 13.970 0.300 . 1 . . . . 21 ILE CD1 . 10066 1 193 . 1 1 21 21 ILE N N 15 113.166 0.300 . 1 . . . . 21 ILE N . 10066 1 194 . 1 1 22 22 ALA H H 1 8.273 0.030 . 1 . . . . 22 ALA H . 10066 1 195 . 1 1 22 22 ALA HA H 1 4.942 0.030 . 1 . . . . 22 ALA HA . 10066 1 196 . 1 1 22 22 ALA HB1 H 1 1.389 0.030 . 1 . . . . 22 ALA HB . 10066 1 197 . 1 1 22 22 ALA HB2 H 1 1.389 0.030 . 1 . . . . 22 ALA HB . 10066 1 198 . 1 1 22 22 ALA HB3 H 1 1.389 0.030 . 1 . . . . 22 ALA HB . 10066 1 199 . 1 1 22 22 ALA C C 13 177.170 0.300 . 1 . . . . 22 ALA C . 10066 1 200 . 1 1 22 22 ALA CA C 13 50.859 0.300 . 1 . . . . 22 ALA CA . 10066 1 201 . 1 1 22 22 ALA CB C 13 21.692 0.300 . 1 . . . . 22 ALA CB . 10066 1 202 . 1 1 22 22 ALA N N 15 126.501 0.300 . 1 . . . . 22 ALA N . 10066 1 203 . 1 1 23 23 ILE H H 1 8.807 0.030 . 1 . . . . 23 ILE H . 10066 1 204 . 1 1 23 23 ILE HA H 1 5.555 0.030 . 1 . . . . 23 ILE HA . 10066 1 205 . 1 1 23 23 ILE HB H 1 1.712 0.030 . 1 . . . . 23 ILE HB . 10066 1 206 . 1 1 23 23 ILE HG12 H 1 1.489 0.030 . 2 . . . . 23 ILE HG12 . 10066 1 207 . 1 1 23 23 ILE HG13 H 1 1.078 0.030 . 2 . . . . 23 ILE HG13 . 10066 1 208 . 1 1 23 23 ILE HG21 H 1 0.634 0.030 . 1 . . . . 23 ILE HG2 . 10066 1 209 . 1 1 23 23 ILE HG22 H 1 0.634 0.030 . 1 . . . . 23 ILE HG2 . 10066 1 210 . 1 1 23 23 ILE HG23 H 1 0.634 0.030 . 1 . . . . 23 ILE HG2 . 10066 1 211 . 1 1 23 23 ILE HD11 H 1 0.548 0.030 . 1 . . . . 23 ILE HD1 . 10066 1 212 . 1 1 23 23 ILE HD12 H 1 0.548 0.030 . 1 . . . . 23 ILE HD1 . 10066 1 213 . 1 1 23 23 ILE HD13 H 1 0.548 0.030 . 1 . . . . 23 ILE HD1 . 10066 1 214 . 1 1 23 23 ILE C C 13 175.208 0.300 . 1 . . . . 23 ILE C . 10066 1 215 . 1 1 23 23 ILE CA C 13 58.820 0.300 . 1 . . . . 23 ILE CA . 10066 1 216 . 1 1 23 23 ILE CB C 13 43.042 0.300 . 1 . . . . 23 ILE CB . 10066 1 217 . 1 1 23 23 ILE CG1 C 13 25.250 0.300 . 1 . . . . 23 ILE CG1 . 10066 1 218 . 1 1 23 23 ILE CG2 C 13 18.255 0.300 . 1 . . . . 23 ILE CG2 . 10066 1 219 . 1 1 23 23 ILE CD1 C 13 13.799 0.300 . 1 . . . . 23 ILE CD1 . 10066 1 220 . 1 1 23 23 ILE N N 15 114.971 0.300 . 1 . . . . 23 ILE N . 10066 1 221 . 1 1 24 24 GLU H H 1 8.977 0.030 . 1 . . . . 24 GLU H . 10066 1 222 . 1 1 24 24 GLU HA H 1 4.760 0.030 . 1 . . . . 24 GLU HA . 10066 1 223 . 1 1 24 24 GLU HB2 H 1 1.937 0.030 . 2 . . . . 24 GLU HB2 . 10066 1 224 . 1 1 24 24 GLU HB3 H 1 1.907 0.030 . 2 . . . . 24 GLU HB3 . 10066 1 225 . 1 1 24 24 GLU HG2 H 1 2.223 0.030 . 2 . . . . 24 GLU HG2 . 10066 1 226 . 1 1 24 24 GLU HG3 H 1 2.097 0.030 . 2 . . . . 24 GLU HG3 . 10066 1 227 . 1 1 24 24 GLU C C 13 174.965 0.300 . 1 . . . . 24 GLU C . 10066 1 228 . 1 1 24 24 GLU CA C 13 54.744 0.300 . 1 . . . . 24 GLU CA . 10066 1 229 . 1 1 24 24 GLU CB C 13 33.760 0.300 . 1 . . . . 24 GLU CB . 10066 1 230 . 1 1 24 24 GLU CG C 13 36.041 0.300 . 1 . . . . 24 GLU CG . 10066 1 231 . 1 1 24 24 GLU N N 15 120.001 0.300 . 1 . . . . 24 GLU N . 10066 1 232 . 1 1 25 25 GLY H H 1 8.857 0.030 . 1 . . . . 25 GLY H . 10066 1 233 . 1 1 25 25 GLY HA2 H 1 4.587 0.030 . 2 . . . . 25 GLY HA2 . 10066 1 234 . 1 1 25 25 GLY HA3 H 1 4.263 0.030 . 2 . . . . 25 GLY HA3 . 10066 1 235 . 1 1 25 25 GLY C C 13 173.560 0.300 . 1 . . . . 25 GLY C . 10066 1 236 . 1 1 25 25 GLY CA C 13 44.377 0.300 . 1 . . . . 25 GLY CA . 10066 1 237 . 1 1 25 25 GLY N N 15 109.697 0.300 . 1 . . . . 25 GLY N . 10066 1 238 . 1 1 26 26 GLY H H 1 8.461 0.030 . 1 . . . . 26 GLY H . 10066 1 239 . 1 1 26 26 GLY HA2 H 1 4.537 0.030 . 2 . . . . 26 GLY HA2 . 10066 1 240 . 1 1 26 26 GLY HA3 H 1 3.935 0.030 . 2 . . . . 26 GLY HA3 . 10066 1 241 . 1 1 26 26 GLY C C 13 175.135 0.300 . 1 . . . . 26 GLY C . 10066 1 242 . 1 1 26 26 GLY CA C 13 43.612 0.300 . 1 . . . . 26 GLY CA . 10066 1 243 . 1 1 26 26 GLY N N 15 103.655 0.300 . 1 . . . . 26 GLY N . 10066 1 244 . 1 1 27 27 ALA H H 1 8.351 0.030 . 1 . . . . 27 ALA H . 10066 1 245 . 1 1 27 27 ALA HA H 1 4.118 0.030 . 1 . . . . 27 ALA HA . 10066 1 246 . 1 1 27 27 ALA HB1 H 1 1.213 0.030 . 1 . . . . 27 ALA HB . 10066 1 247 . 1 1 27 27 ALA HB2 H 1 1.213 0.030 . 1 . . . . 27 ALA HB . 10066 1 248 . 1 1 27 27 ALA HB3 H 1 1.213 0.030 . 1 . . . . 27 ALA HB . 10066 1 249 . 1 1 27 27 ALA C C 13 177.437 0.300 . 1 . . . . 27 ALA C . 10066 1 250 . 1 1 27 27 ALA CA C 13 54.463 0.300 . 1 . . . . 27 ALA CA . 10066 1 251 . 1 1 27 27 ALA CB C 13 18.732 0.300 . 1 . . . . 27 ALA CB . 10066 1 252 . 1 1 27 27 ALA N N 15 121.360 0.300 . 1 . . . . 27 ALA N . 10066 1 253 . 1 1 28 28 ASN H H 1 9.008 0.030 . 1 . . . . 28 ASN H . 10066 1 254 . 1 1 28 28 ASN HA H 1 4.642 0.030 . 1 . . . . 28 ASN HA . 10066 1 255 . 1 1 28 28 ASN HB2 H 1 3.183 0.030 . 2 . . . . 28 ASN HB2 . 10066 1 256 . 1 1 28 28 ASN HB3 H 1 2.932 0.030 . 2 . . . . 28 ASN HB3 . 10066 1 257 . 1 1 28 28 ASN HD21 H 1 7.865 0.030 . 2 . . . . 28 ASN HD21 . 10066 1 258 . 1 1 28 28 ASN HD22 H 1 7.176 0.030 . 2 . . . . 28 ASN HD22 . 10066 1 259 . 1 1 28 28 ASN C C 13 174.481 0.300 . 1 . . . . 28 ASN C . 10066 1 260 . 1 1 28 28 ASN CA C 13 53.900 0.300 . 1 . . . . 28 ASN CA . 10066 1 261 . 1 1 28 28 ASN CB C 13 37.184 0.300 . 1 . . . . 28 ASN CB . 10066 1 262 . 1 1 28 28 ASN N N 15 112.314 0.300 . 1 . . . . 28 ASN N . 10066 1 263 . 1 1 28 28 ASN ND2 N 15 115.968 0.300 . 1 . . . . 28 ASN ND2 . 10066 1 264 . 1 1 29 29 THR H H 1 7.760 0.030 . 1 . . . . 29 THR H . 10066 1 265 . 1 1 29 29 THR HB H 1 4.430 0.030 . 1 . . . . 29 THR HB . 10066 1 266 . 1 1 29 29 THR HG21 H 1 1.030 0.030 . 1 . . . . 29 THR HG2 . 10066 1 267 . 1 1 29 29 THR HG22 H 1 1.030 0.030 . 1 . . . . 29 THR HG2 . 10066 1 268 . 1 1 29 29 THR HG23 H 1 1.030 0.030 . 1 . . . . 29 THR HG2 . 10066 1 269 . 1 1 29 29 THR C C 13 174.432 0.300 . 1 . . . . 29 THR C . 10066 1 270 . 1 1 29 29 THR CA C 13 61.095 0.300 . 1 . . . . 29 THR CA . 10066 1 271 . 1 1 29 29 THR CB C 13 71.600 0.300 . 1 . . . . 29 THR CB . 10066 1 272 . 1 1 29 29 THR CG2 C 13 20.602 0.300 . 1 . . . . 29 THR CG2 . 10066 1 273 . 1 1 29 29 THR N N 15 110.374 0.300 . 1 . . . . 29 THR N . 10066 1 274 . 1 1 30 30 ARG HA H 1 4.276 0.030 . 1 . . . . 30 ARG HA . 10066 1 275 . 1 1 30 30 ARG HB2 H 1 2.024 0.030 . 2 . . . . 30 ARG HB2 . 10066 1 276 . 1 1 30 30 ARG HB3 H 1 1.853 0.030 . 2 . . . . 30 ARG HB3 . 10066 1 277 . 1 1 30 30 ARG HG2 H 1 1.713 0.030 . 1 . . . . 30 ARG HG2 . 10066 1 278 . 1 1 30 30 ARG HG3 H 1 1.713 0.030 . 1 . . . . 30 ARG HG3 . 10066 1 279 . 1 1 30 30 ARG HD2 H 1 3.230 0.030 . 1 . . . . 30 ARG HD2 . 10066 1 280 . 1 1 30 30 ARG HD3 H 1 3.230 0.030 . 1 . . . . 30 ARG HD3 . 10066 1 281 . 1 1 30 30 ARG C C 13 175.329 0.300 . 1 . . . . 30 ARG C . 10066 1 282 . 1 1 30 30 ARG CA C 13 57.039 0.300 . 1 . . . . 30 ARG CA . 10066 1 283 . 1 1 30 30 ARG CB C 13 29.750 0.300 . 1 . . . . 30 ARG CB . 10066 1 284 . 1 1 30 30 ARG CG C 13 27.406 0.300 . 1 . . . . 30 ARG CG . 10066 1 285 . 1 1 30 30 ARG CD C 13 43.235 0.300 . 1 . . . . 30 ARG CD . 10066 1 286 . 1 1 31 31 GLN H H 1 8.271 0.030 . 1 . . . . 31 GLN H . 10066 1 287 . 1 1 31 31 GLN HA H 1 4.855 0.030 . 1 . . . . 31 GLN HA . 10066 1 288 . 1 1 31 31 GLN HB2 H 1 2.021 0.030 . 2 . . . . 31 GLN HB2 . 10066 1 289 . 1 1 31 31 GLN HB3 H 1 1.944 0.030 . 2 . . . . 31 GLN HB3 . 10066 1 290 . 1 1 31 31 GLN HG2 H 1 2.582 0.030 . 2 . . . . 31 GLN HG2 . 10066 1 291 . 1 1 31 31 GLN HG3 H 1 2.228 0.030 . 2 . . . . 31 GLN HG3 . 10066 1 292 . 1 1 31 31 GLN HE21 H 1 8.018 0.030 . 2 . . . . 31 GLN HE21 . 10066 1 293 . 1 1 31 31 GLN HE22 H 1 6.986 0.030 . 2 . . . . 31 GLN HE22 . 10066 1 294 . 1 1 31 31 GLN C C 13 171.622 0.300 . 1 . . . . 31 GLN C . 10066 1 295 . 1 1 31 31 GLN CA C 13 51.877 0.300 . 1 . . . . 31 GLN CA . 10066 1 296 . 1 1 31 31 GLN CB C 13 29.427 0.300 . 1 . . . . 31 GLN CB . 10066 1 297 . 1 1 31 31 GLN CG C 13 33.160 0.300 . 1 . . . . 31 GLN CG . 10066 1 298 . 1 1 31 31 GLN N N 15 121.773 0.300 . 1 . . . . 31 GLN N . 10066 1 299 . 1 1 31 31 GLN NE2 N 15 112.930 0.300 . 1 . . . . 31 GLN NE2 . 10066 1 300 . 1 1 32 32 PRO HA H 1 4.211 0.030 . 1 . . . . 32 PRO HA . 10066 1 301 . 1 1 32 32 PRO HB2 H 1 2.322 0.030 . 2 . . . . 32 PRO HB2 . 10066 1 302 . 1 1 32 32 PRO HB3 H 1 1.915 0.030 . 2 . . . . 32 PRO HB3 . 10066 1 303 . 1 1 32 32 PRO HG2 H 1 2.011 0.030 . 1 . . . . 32 PRO HG2 . 10066 1 304 . 1 1 32 32 PRO HG3 H 1 2.011 0.030 . 1 . . . . 32 PRO HG3 . 10066 1 305 . 1 1 32 32 PRO HD2 H 1 3.726 0.030 . 2 . . . . 32 PRO HD2 . 10066 1 306 . 1 1 32 32 PRO HD3 H 1 3.607 0.030 . 2 . . . . 32 PRO HD3 . 10066 1 307 . 1 1 32 32 PRO C C 13 176.371 0.300 . 1 . . . . 32 PRO C . 10066 1 308 . 1 1 32 32 PRO CA C 13 65.007 0.300 . 1 . . . . 32 PRO CA . 10066 1 309 . 1 1 32 32 PRO CB C 13 32.142 0.300 . 1 . . . . 32 PRO CB . 10066 1 310 . 1 1 32 32 PRO CG C 13 27.263 0.300 . 1 . . . . 32 PRO CG . 10066 1 311 . 1 1 32 32 PRO CD C 13 50.388 0.300 . 1 . . . . 32 PRO CD . 10066 1 312 . 1 1 33 33 LEU H H 1 7.222 0.030 . 1 . . . . 33 LEU H . 10066 1 313 . 1 1 33 33 LEU HA H 1 4.985 0.030 . 1 . . . . 33 LEU HA . 10066 1 314 . 1 1 33 33 LEU HB2 H 1 1.462 0.030 . 2 . . . . 33 LEU HB2 . 10066 1 315 . 1 1 33 33 LEU HB3 H 1 1.428 0.030 . 2 . . . . 33 LEU HB3 . 10066 1 316 . 1 1 33 33 LEU HG H 1 1.618 0.030 . 1 . . . . 33 LEU HG . 10066 1 317 . 1 1 33 33 LEU HD11 H 1 0.976 0.030 . 1 . . . . 33 LEU HD1 . 10066 1 318 . 1 1 33 33 LEU HD12 H 1 0.976 0.030 . 1 . . . . 33 LEU HD1 . 10066 1 319 . 1 1 33 33 LEU HD13 H 1 0.976 0.030 . 1 . . . . 33 LEU HD1 . 10066 1 320 . 1 1 33 33 LEU HD21 H 1 0.944 0.030 . 1 . . . . 33 LEU HD2 . 10066 1 321 . 1 1 33 33 LEU HD22 H 1 0.944 0.030 . 1 . . . . 33 LEU HD2 . 10066 1 322 . 1 1 33 33 LEU HD23 H 1 0.944 0.030 . 1 . . . . 33 LEU HD2 . 10066 1 323 . 1 1 33 33 LEU C C 13 173.875 0.300 . 1 . . . . 33 LEU C . 10066 1 324 . 1 1 33 33 LEU CA C 13 50.265 0.300 . 1 . . . . 33 LEU CA . 10066 1 325 . 1 1 33 33 LEU CB C 13 43.238 0.300 . 1 . . . . 33 LEU CB . 10066 1 326 . 1 1 33 33 LEU CG C 13 27.561 0.300 . 1 . . . . 33 LEU CG . 10066 1 327 . 1 1 33 33 LEU CD1 C 13 23.209 0.300 . 2 . . . . 33 LEU CD1 . 10066 1 328 . 1 1 33 33 LEU CD2 C 13 25.840 0.300 . 2 . . . . 33 LEU CD2 . 10066 1 329 . 1 1 33 33 LEU N N 15 117.118 0.300 . 1 . . . . 33 LEU N . 10066 1 330 . 1 1 34 34 PRO HA H 1 4.688 0.030 . 1 . . . . 34 PRO HA . 10066 1 331 . 1 1 34 34 PRO HB2 H 1 1.943 0.030 . 2 . . . . 34 PRO HB2 . 10066 1 332 . 1 1 34 34 PRO HB3 H 1 1.631 0.030 . 2 . . . . 34 PRO HB3 . 10066 1 333 . 1 1 34 34 PRO HG2 H 1 2.023 0.030 . 2 . . . . 34 PRO HG2 . 10066 1 334 . 1 1 34 34 PRO HG3 H 1 1.713 0.030 . 2 . . . . 34 PRO HG3 . 10066 1 335 . 1 1 34 34 PRO HD2 H 1 4.127 0.030 . 2 . . . . 34 PRO HD2 . 10066 1 336 . 1 1 34 34 PRO HD3 H 1 3.836 0.030 . 2 . . . . 34 PRO HD3 . 10066 1 337 . 1 1 34 34 PRO C C 13 174.263 0.300 . 1 . . . . 34 PRO C . 10066 1 338 . 1 1 34 34 PRO CA C 13 62.616 0.300 . 1 . . . . 34 PRO CA . 10066 1 339 . 1 1 34 34 PRO CB C 13 32.799 0.300 . 1 . . . . 34 PRO CB . 10066 1 340 . 1 1 34 34 PRO CG C 13 28.188 0.300 . 1 . . . . 34 PRO CG . 10066 1 341 . 1 1 34 34 PRO CD C 13 49.895 0.300 . 1 . . . . 34 PRO CD . 10066 1 342 . 1 1 35 35 ARG H H 1 8.831 0.030 . 1 . . . . 35 ARG H . 10066 1 343 . 1 1 35 35 ARG HA H 1 5.429 0.030 . 1 . . . . 35 ARG HA . 10066 1 344 . 1 1 35 35 ARG HB2 H 1 1.699 0.030 . 2 . . . . 35 ARG HB2 . 10066 1 345 . 1 1 35 35 ARG HB3 H 1 1.517 0.030 . 2 . . . . 35 ARG HB3 . 10066 1 346 . 1 1 35 35 ARG HG2 H 1 1.446 0.030 . 1 . . . . 35 ARG HG2 . 10066 1 347 . 1 1 35 35 ARG HG3 H 1 1.446 0.030 . 1 . . . . 35 ARG HG3 . 10066 1 348 . 1 1 35 35 ARG HD2 H 1 2.994 0.030 . 1 . . . . 35 ARG HD2 . 10066 1 349 . 1 1 35 35 ARG HD3 H 1 2.994 0.030 . 1 . . . . 35 ARG HD3 . 10066 1 350 . 1 1 35 35 ARG HE H 1 7.233 0.030 . 1 . . . . 35 ARG HE . 10066 1 351 . 1 1 35 35 ARG C C 13 176.225 0.300 . 1 . . . . 35 ARG C . 10066 1 352 . 1 1 35 35 ARG CA C 13 53.057 0.300 . 1 . . . . 35 ARG CA . 10066 1 353 . 1 1 35 35 ARG CB C 13 34.628 0.300 . 1 . . . . 35 ARG CB . 10066 1 354 . 1 1 35 35 ARG CG C 13 26.812 0.300 . 1 . . . . 35 ARG CG . 10066 1 355 . 1 1 35 35 ARG CD C 13 43.885 0.300 . 1 . . . . 35 ARG CD . 10066 1 356 . 1 1 35 35 ARG N N 15 119.675 0.300 . 1 . . . . 35 ARG N . 10066 1 357 . 1 1 36 36 ILE H H 1 9.022 0.030 . 1 . . . . 36 ILE H . 10066 1 358 . 1 1 36 36 ILE HA H 1 4.107 0.030 . 1 . . . . 36 ILE HA . 10066 1 359 . 1 1 36 36 ILE HB H 1 2.137 0.030 . 1 . . . . 36 ILE HB . 10066 1 360 . 1 1 36 36 ILE HG12 H 1 1.843 0.030 . 2 . . . . 36 ILE HG12 . 10066 1 361 . 1 1 36 36 ILE HG13 H 1 0.729 0.030 . 2 . . . . 36 ILE HG13 . 10066 1 362 . 1 1 36 36 ILE HG21 H 1 0.779 0.030 . 1 . . . . 36 ILE HG2 . 10066 1 363 . 1 1 36 36 ILE HG22 H 1 0.779 0.030 . 1 . . . . 36 ILE HG2 . 10066 1 364 . 1 1 36 36 ILE HG23 H 1 0.779 0.030 . 1 . . . . 36 ILE HG2 . 10066 1 365 . 1 1 36 36 ILE HD11 H 1 0.755 0.030 . 1 . . . . 36 ILE HD1 . 10066 1 366 . 1 1 36 36 ILE HD12 H 1 0.755 0.030 . 1 . . . . 36 ILE HD1 . 10066 1 367 . 1 1 36 36 ILE HD13 H 1 0.755 0.030 . 1 . . . . 36 ILE HD1 . 10066 1 368 . 1 1 36 36 ILE C C 13 176.976 0.300 . 1 . . . . 36 ILE C . 10066 1 369 . 1 1 36 36 ILE CA C 13 63.529 0.300 . 1 . . . . 36 ILE CA . 10066 1 370 . 1 1 36 36 ILE CB C 13 37.762 0.300 . 1 . . . . 36 ILE CB . 10066 1 371 . 1 1 36 36 ILE CG1 C 13 28.517 0.300 . 1 . . . . 36 ILE CG1 . 10066 1 372 . 1 1 36 36 ILE CG2 C 13 18.073 0.300 . 1 . . . . 36 ILE CG2 . 10066 1 373 . 1 1 36 36 ILE CD1 C 13 13.653 0.300 . 1 . . . . 36 ILE CD1 . 10066 1 374 . 1 1 36 36 ILE N N 15 123.112 0.300 . 1 . . . . 36 ILE N . 10066 1 375 . 1 1 37 37 VAL H H 1 9.030 0.030 . 1 . . . . 37 VAL H . 10066 1 376 . 1 1 37 37 VAL HA H 1 4.542 0.030 . 1 . . . . 37 VAL HA . 10066 1 377 . 1 1 37 37 VAL HB H 1 2.090 0.030 . 1 . . . . 37 VAL HB . 10066 1 378 . 1 1 37 37 VAL HG11 H 1 0.888 0.030 . 1 . . . . 37 VAL HG1 . 10066 1 379 . 1 1 37 37 VAL HG12 H 1 0.888 0.030 . 1 . . . . 37 VAL HG1 . 10066 1 380 . 1 1 37 37 VAL HG13 H 1 0.888 0.030 . 1 . . . . 37 VAL HG1 . 10066 1 381 . 1 1 37 37 VAL HG21 H 1 0.811 0.030 . 1 . . . . 37 VAL HG2 . 10066 1 382 . 1 1 37 37 VAL HG22 H 1 0.811 0.030 . 1 . . . . 37 VAL HG2 . 10066 1 383 . 1 1 37 37 VAL HG23 H 1 0.811 0.030 . 1 . . . . 37 VAL HG2 . 10066 1 384 . 1 1 37 37 VAL C C 13 175.474 0.300 . 1 . . . . 37 VAL C . 10066 1 385 . 1 1 37 37 VAL CA C 13 62.318 0.300 . 1 . . . . 37 VAL CA . 10066 1 386 . 1 1 37 37 VAL CB C 13 33.635 0.300 . 1 . . . . 37 VAL CB . 10066 1 387 . 1 1 37 37 VAL CG1 C 13 21.966 0.300 . 2 . . . . 37 VAL CG1 . 10066 1 388 . 1 1 37 37 VAL CG2 C 13 19.554 0.300 . 2 . . . . 37 VAL CG2 . 10066 1 389 . 1 1 37 37 VAL N N 15 124.228 0.300 . 1 . . . . 37 VAL N . 10066 1 390 . 1 1 38 38 THR H H 1 7.304 0.030 . 1 . . . . 38 THR H . 10066 1 391 . 1 1 38 38 THR HA H 1 4.428 0.030 . 1 . . . . 38 THR HA . 10066 1 392 . 1 1 38 38 THR HB H 1 3.783 0.030 . 1 . . . . 38 THR HB . 10066 1 393 . 1 1 38 38 THR HG21 H 1 1.108 0.030 . 1 . . . . 38 THR HG2 . 10066 1 394 . 1 1 38 38 THR HG22 H 1 1.108 0.030 . 1 . . . . 38 THR HG2 . 10066 1 395 . 1 1 38 38 THR HG23 H 1 1.108 0.030 . 1 . . . . 38 THR HG2 . 10066 1 396 . 1 1 38 38 THR C C 13 172.324 0.300 . 1 . . . . 38 THR C . 10066 1 397 . 1 1 38 38 THR CA C 13 62.089 0.300 . 1 . . . . 38 THR CA . 10066 1 398 . 1 1 38 38 THR CB C 13 72.752 0.300 . 1 . . . . 38 THR CB . 10066 1 399 . 1 1 38 38 THR CG2 C 13 22.679 0.300 . 1 . . . . 38 THR CG2 . 10066 1 400 . 1 1 38 38 THR N N 15 114.815 0.300 . 1 . . . . 38 THR N . 10066 1 401 . 1 1 39 39 ILE H H 1 8.610 0.030 . 1 . . . . 39 ILE H . 10066 1 402 . 1 1 39 39 ILE HA H 1 4.502 0.030 . 1 . . . . 39 ILE HA . 10066 1 403 . 1 1 39 39 ILE HB H 1 1.689 0.030 . 1 . . . . 39 ILE HB . 10066 1 404 . 1 1 39 39 ILE HG12 H 1 1.379 0.030 . 2 . . . . 39 ILE HG12 . 10066 1 405 . 1 1 39 39 ILE HG13 H 1 0.763 0.030 . 2 . . . . 39 ILE HG13 . 10066 1 406 . 1 1 39 39 ILE HG21 H 1 0.795 0.030 . 1 . . . . 39 ILE HG2 . 10066 1 407 . 1 1 39 39 ILE HG22 H 1 0.795 0.030 . 1 . . . . 39 ILE HG2 . 10066 1 408 . 1 1 39 39 ILE HG23 H 1 0.795 0.030 . 1 . . . . 39 ILE HG2 . 10066 1 409 . 1 1 39 39 ILE HD11 H 1 0.602 0.030 . 1 . . . . 39 ILE HD1 . 10066 1 410 . 1 1 39 39 ILE HD12 H 1 0.602 0.030 . 1 . . . . 39 ILE HD1 . 10066 1 411 . 1 1 39 39 ILE HD13 H 1 0.602 0.030 . 1 . . . . 39 ILE HD1 . 10066 1 412 . 1 1 39 39 ILE C C 13 175.208 0.300 . 1 . . . . 39 ILE C . 10066 1 413 . 1 1 39 39 ILE CA C 13 60.542 0.300 . 1 . . . . 39 ILE CA . 10066 1 414 . 1 1 39 39 ILE CB C 13 39.288 0.300 . 1 . . . . 39 ILE CB . 10066 1 415 . 1 1 39 39 ILE CG1 C 13 28.023 0.300 . 1 . . . . 39 ILE CG1 . 10066 1 416 . 1 1 39 39 ILE CG2 C 13 17.459 0.300 . 1 . . . . 39 ILE CG2 . 10066 1 417 . 1 1 39 39 ILE CD1 C 13 13.372 0.300 . 1 . . . . 39 ILE CD1 . 10066 1 418 . 1 1 39 39 ILE N N 15 125.079 0.300 . 1 . . . . 39 ILE N . 10066 1 419 . 1 1 40 40 GLN H H 1 8.671 0.030 . 1 . . . . 40 GLN H . 10066 1 420 . 1 1 40 40 GLN HA H 1 4.188 0.030 . 1 . . . . 40 GLN HA . 10066 1 421 . 1 1 40 40 GLN HB2 H 1 1.871 0.030 . 2 . . . . 40 GLN HB2 . 10066 1 422 . 1 1 40 40 GLN HB3 H 1 1.822 0.030 . 2 . . . . 40 GLN HB3 . 10066 1 423 . 1 1 40 40 GLN HG2 H 1 2.275 0.030 . 2 . . . . 40 GLN HG2 . 10066 1 424 . 1 1 40 40 GLN HG3 H 1 2.216 0.030 . 2 . . . . 40 GLN HG3 . 10066 1 425 . 1 1 40 40 GLN HE21 H 1 7.414 0.030 . 2 . . . . 40 GLN HE21 . 10066 1 426 . 1 1 40 40 GLN HE22 H 1 6.721 0.030 . 2 . . . . 40 GLN HE22 . 10066 1 427 . 1 1 40 40 GLN C C 13 177.001 0.300 . 1 . . . . 40 GLN C . 10066 1 428 . 1 1 40 40 GLN CA C 13 55.680 0.300 . 1 . . . . 40 GLN CA . 10066 1 429 . 1 1 40 40 GLN CB C 13 29.426 0.300 . 1 . . . . 40 GLN CB . 10066 1 430 . 1 1 40 40 GLN CG C 13 33.285 0.300 . 1 . . . . 40 GLN CG . 10066 1 431 . 1 1 40 40 GLN N N 15 126.813 0.300 . 1 . . . . 40 GLN N . 10066 1 432 . 1 1 40 40 GLN NE2 N 15 111.539 0.300 . 1 . . . . 40 GLN NE2 . 10066 1 433 . 1 1 41 41 ARG HA H 1 3.044 0.030 . 1 . . . . 41 ARG HA . 10066 1 434 . 1 1 41 41 ARG HB2 H 1 1.543 0.030 . 1 . . . . 41 ARG HB2 . 10066 1 435 . 1 1 41 41 ARG HB3 H 1 1.543 0.030 . 1 . . . . 41 ARG HB3 . 10066 1 436 . 1 1 41 41 ARG HG2 H 1 1.333 0.030 . 2 . . . . 41 ARG HG2 . 10066 1 437 . 1 1 41 41 ARG HG3 H 1 1.212 0.030 . 2 . . . . 41 ARG HG3 . 10066 1 438 . 1 1 41 41 ARG HD2 H 1 3.104 0.030 . 1 . . . . 41 ARG HD2 . 10066 1 439 . 1 1 41 41 ARG HD3 H 1 3.104 0.030 . 1 . . . . 41 ARG HD3 . 10066 1 440 . 1 1 41 41 ARG CA C 13 58.076 0.300 . 1 . . . . 41 ARG CA . 10066 1 441 . 1 1 41 41 ARG CB C 13 29.353 0.300 . 1 . . . . 41 ARG CB . 10066 1 442 . 1 1 41 41 ARG CG C 13 27.489 0.300 . 1 . . . . 41 ARG CG . 10066 1 443 . 1 1 41 41 ARG CD C 13 43.159 0.300 . 1 . . . . 41 ARG CD . 10066 1 444 . 1 1 42 42 GLY H H 1 8.206 0.030 . 1 . . . . 42 GLY H . 10066 1 445 . 1 1 42 42 GLY HA2 H 1 4.223 0.030 . 2 . . . . 42 GLY HA2 . 10066 1 446 . 1 1 42 42 GLY HA3 H 1 3.805 0.030 . 2 . . . . 42 GLY HA3 . 10066 1 447 . 1 1 42 42 GLY C C 13 174.602 0.300 . 1 . . . . 42 GLY C . 10066 1 448 . 1 1 42 42 GLY CA C 13 45.181 0.300 . 1 . . . . 42 GLY CA . 10066 1 449 . 1 1 43 43 GLY H H 1 7.249 0.030 . 1 . . . . 43 GLY H . 10066 1 450 . 1 1 43 43 GLY HA2 H 1 4.214 0.030 . 2 . . . . 43 GLY HA2 . 10066 1 451 . 1 1 43 43 GLY HA3 H 1 3.644 0.030 . 2 . . . . 43 GLY HA3 . 10066 1 452 . 1 1 43 43 GLY C C 13 173.802 0.300 . 1 . . . . 43 GLY C . 10066 1 453 . 1 1 43 43 GLY CA C 13 44.487 0.300 . 1 . . . . 43 GLY CA . 10066 1 454 . 1 1 43 43 GLY N N 15 104.700 0.300 . 1 . . . . 43 GLY N . 10066 1 455 . 1 1 44 44 SER H H 1 8.577 0.030 . 1 . . . . 44 SER H . 10066 1 456 . 1 1 44 44 SER HA H 1 4.351 0.030 . 1 . . . . 44 SER HA . 10066 1 457 . 1 1 44 44 SER HB2 H 1 4.073 0.030 . 1 . . . . 44 SER HB2 . 10066 1 458 . 1 1 44 44 SER HB3 H 1 4.073 0.030 . 1 . . . . 44 SER HB3 . 10066 1 459 . 1 1 44 44 SER C C 13 176.904 0.300 . 1 . . . . 44 SER C . 10066 1 460 . 1 1 44 44 SER CA C 13 63.108 0.300 . 1 . . . . 44 SER CA . 10066 1 461 . 1 1 44 44 SER CB C 13 63.729 0.300 . 1 . . . . 44 SER CB . 10066 1 462 . 1 1 44 44 SER N N 15 113.071 0.300 . 1 . . . . 44 SER N . 10066 1 463 . 1 1 45 45 ALA H H 1 8.687 0.030 . 1 . . . . 45 ALA H . 10066 1 464 . 1 1 45 45 ALA HA H 1 4.058 0.030 . 1 . . . . 45 ALA HA . 10066 1 465 . 1 1 45 45 ALA HB1 H 1 1.266 0.030 . 1 . . . . 45 ALA HB . 10066 1 466 . 1 1 45 45 ALA HB2 H 1 1.266 0.030 . 1 . . . . 45 ALA HB . 10066 1 467 . 1 1 45 45 ALA HB3 H 1 1.266 0.030 . 1 . . . . 45 ALA HB . 10066 1 468 . 1 1 45 45 ALA C C 13 179.254 0.300 . 1 . . . . 45 ALA C . 10066 1 469 . 1 1 45 45 ALA CA C 13 55.552 0.300 . 1 . . . . 45 ALA CA . 10066 1 470 . 1 1 45 45 ALA CB C 13 18.941 0.300 . 1 . . . . 45 ALA CB . 10066 1 471 . 1 1 45 45 ALA N N 15 123.220 0.300 . 1 . . . . 45 ALA N . 10066 1 472 . 1 1 46 46 HIS H H 1 9.234 0.030 . 1 . . . . 46 HIS H . 10066 1 473 . 1 1 46 46 HIS HA H 1 3.934 0.030 . 1 . . . . 46 HIS HA . 10066 1 474 . 1 1 46 46 HIS HB2 H 1 3.164 0.030 . 2 . . . . 46 HIS HB2 . 10066 1 475 . 1 1 46 46 HIS HB3 H 1 3.127 0.030 . 2 . . . . 46 HIS HB3 . 10066 1 476 . 1 1 46 46 HIS HD2 H 1 7.148 0.030 . 1 . . . . 46 HIS HD2 . 10066 1 477 . 1 1 46 46 HIS HE1 H 1 7.768 0.030 . 1 . . . . 46 HIS HE1 . 10066 1 478 . 1 1 46 46 HIS C C 13 177.534 0.300 . 1 . . . . 46 HIS C . 10066 1 479 . 1 1 46 46 HIS CA C 13 60.293 0.300 . 1 . . . . 46 HIS CA . 10066 1 480 . 1 1 46 46 HIS CB C 13 31.610 0.300 . 1 . . . . 46 HIS CB . 10066 1 481 . 1 1 46 46 HIS CD2 C 13 118.845 0.300 . 1 . . . . 46 HIS CD2 . 10066 1 482 . 1 1 46 46 HIS CE1 C 13 139.057 0.300 . 1 . . . . 46 HIS CE1 . 10066 1 483 . 1 1 46 46 HIS N N 15 123.399 0.300 . 1 . . . . 46 HIS N . 10066 1 484 . 1 1 47 47 ASN H H 1 7.966 0.030 . 1 . . . . 47 ASN H . 10066 1 485 . 1 1 47 47 ASN HA H 1 4.360 0.030 . 1 . . . . 47 ASN HA . 10066 1 486 . 1 1 47 47 ASN HB2 H 1 2.968 0.030 . 2 . . . . 47 ASN HB2 . 10066 1 487 . 1 1 47 47 ASN HB3 H 1 2.790 0.030 . 2 . . . . 47 ASN HB3 . 10066 1 488 . 1 1 47 47 ASN HD21 H 1 7.396 0.030 . 2 . . . . 47 ASN HD21 . 10066 1 489 . 1 1 47 47 ASN HD22 H 1 6.766 0.030 . 2 . . . . 47 ASN HD22 . 10066 1 490 . 1 1 47 47 ASN C C 13 176.419 0.300 . 1 . . . . 47 ASN C . 10066 1 491 . 1 1 47 47 ASN CA C 13 54.822 0.300 . 1 . . . . 47 ASN CA . 10066 1 492 . 1 1 47 47 ASN CB C 13 38.093 0.300 . 1 . . . . 47 ASN CB . 10066 1 493 . 1 1 47 47 ASN N N 15 115.182 0.300 . 1 . . . . 47 ASN N . 10066 1 494 . 1 1 47 47 ASN ND2 N 15 108.404 0.300 . 1 . . . . 47 ASN ND2 . 10066 1 495 . 1 1 48 48 CYS H H 1 7.402 0.030 . 1 . . . . 48 CYS H . 10066 1 496 . 1 1 48 48 CYS HA H 1 4.658 0.030 . 1 . . . . 48 CYS HA . 10066 1 497 . 1 1 48 48 CYS HB2 H 1 3.506 0.030 . 2 . . . . 48 CYS HB2 . 10066 1 498 . 1 1 48 48 CYS HB3 H 1 3.262 0.030 . 2 . . . . 48 CYS HB3 . 10066 1 499 . 1 1 48 48 CYS C C 13 175.959 0.300 . 1 . . . . 48 CYS C . 10066 1 500 . 1 1 48 48 CYS CA C 13 59.853 0.300 . 1 . . . . 48 CYS CA . 10066 1 501 . 1 1 48 48 CYS CB C 13 27.936 0.300 . 1 . . . . 48 CYS CB . 10066 1 502 . 1 1 48 48 CYS N N 15 116.118 0.300 . 1 . . . . 48 CYS N . 10066 1 503 . 1 1 49 49 GLY H H 1 7.512 0.030 . 1 . . . . 49 GLY H . 10066 1 504 . 1 1 49 49 GLY HA2 H 1 4.132 0.030 . 2 . . . . 49 GLY HA2 . 10066 1 505 . 1 1 49 49 GLY HA3 H 1 3.964 0.030 . 2 . . . . 49 GLY HA3 . 10066 1 506 . 1 1 49 49 GLY C C 13 174.578 0.300 . 1 . . . . 49 GLY C . 10066 1 507 . 1 1 49 49 GLY CA C 13 46.806 0.300 . 1 . . . . 49 GLY CA . 10066 1 508 . 1 1 49 49 GLY N N 15 108.644 0.300 . 1 . . . . 49 GLY N . 10066 1 509 . 1 1 50 50 GLN H H 1 7.623 0.030 . 1 . . . . 50 GLN H . 10066 1 510 . 1 1 50 50 GLN HA H 1 4.423 0.030 . 1 . . . . 50 GLN HA . 10066 1 511 . 1 1 50 50 GLN HB2 H 1 2.332 0.030 . 2 . . . . 50 GLN HB2 . 10066 1 512 . 1 1 50 50 GLN HB3 H 1 1.847 0.030 . 2 . . . . 50 GLN HB3 . 10066 1 513 . 1 1 50 50 GLN HG2 H 1 2.500 0.030 . 2 . . . . 50 GLN HG2 . 10066 1 514 . 1 1 50 50 GLN HG3 H 1 2.395 0.030 . 2 . . . . 50 GLN HG3 . 10066 1 515 . 1 1 50 50 GLN HE21 H 1 7.586 0.030 . 2 . . . . 50 GLN HE21 . 10066 1 516 . 1 1 50 50 GLN HE22 H 1 6.941 0.030 . 2 . . . . 50 GLN HE22 . 10066 1 517 . 1 1 50 50 GLN CA C 13 56.492 0.300 . 1 . . . . 50 GLN CA . 10066 1 518 . 1 1 50 50 GLN CB C 13 32.134 0.300 . 1 . . . . 50 GLN CB . 10066 1 519 . 1 1 50 50 GLN CG C 13 34.478 0.300 . 1 . . . . 50 GLN CG . 10066 1 520 . 1 1 50 50 GLN NE2 N 15 112.333 0.300 . 1 . . . . 50 GLN NE2 . 10066 1 521 . 1 1 51 51 LEU HA H 1 5.011 0.030 . 1 . . . . 51 LEU HA . 10066 1 522 . 1 1 51 51 LEU HB2 H 1 1.484 0.030 . 2 . . . . 51 LEU HB2 . 10066 1 523 . 1 1 51 51 LEU HB3 H 1 1.206 0.030 . 2 . . . . 51 LEU HB3 . 10066 1 524 . 1 1 51 51 LEU HG H 1 1.471 0.030 . 1 . . . . 51 LEU HG . 10066 1 525 . 1 1 51 51 LEU HD11 H 1 0.480 0.030 . 1 . . . . 51 LEU HD1 . 10066 1 526 . 1 1 51 51 LEU HD12 H 1 0.480 0.030 . 1 . . . . 51 LEU HD1 . 10066 1 527 . 1 1 51 51 LEU HD13 H 1 0.480 0.030 . 1 . . . . 51 LEU HD1 . 10066 1 528 . 1 1 51 51 LEU HD21 H 1 0.567 0.030 . 1 . . . . 51 LEU HD2 . 10066 1 529 . 1 1 51 51 LEU HD22 H 1 0.567 0.030 . 1 . . . . 51 LEU HD2 . 10066 1 530 . 1 1 51 51 LEU HD23 H 1 0.567 0.030 . 1 . . . . 51 LEU HD2 . 10066 1 531 . 1 1 51 51 LEU C C 13 175.692 0.300 . 1 . . . . 51 LEU C . 10066 1 532 . 1 1 51 51 LEU CA C 13 53.549 0.300 . 1 . . . . 51 LEU CA . 10066 1 533 . 1 1 51 51 LEU CB C 13 44.386 0.300 . 1 . . . . 51 LEU CB . 10066 1 534 . 1 1 51 51 LEU CG C 13 26.836 0.300 . 1 . . . . 51 LEU CG . 10066 1 535 . 1 1 51 51 LEU CD1 C 13 25.721 0.300 . 2 . . . . 51 LEU CD1 . 10066 1 536 . 1 1 51 51 LEU CD2 C 13 24.046 0.300 . 2 . . . . 51 LEU CD2 . 10066 1 537 . 1 1 52 52 LYS H H 1 9.720 0.030 . 1 . . . . 52 LYS H . 10066 1 538 . 1 1 52 52 LYS HA H 1 4.485 0.030 . 1 . . . . 52 LYS HA . 10066 1 539 . 1 1 52 52 LYS HB2 H 1 1.375 0.030 . 2 . . . . 52 LYS HB2 . 10066 1 540 . 1 1 52 52 LYS HB3 H 1 0.777 0.030 . 2 . . . . 52 LYS HB3 . 10066 1 541 . 1 1 52 52 LYS HG2 H 1 0.847 0.030 . 1 . . . . 52 LYS HG2 . 10066 1 542 . 1 1 52 52 LYS HG3 H 1 0.847 0.030 . 1 . . . . 52 LYS HG3 . 10066 1 543 . 1 1 52 52 LYS HD2 H 1 1.348 0.030 . 2 . . . . 52 LYS HD2 . 10066 1 544 . 1 1 52 52 LYS HD3 H 1 1.325 0.030 . 2 . . . . 52 LYS HD3 . 10066 1 545 . 1 1 52 52 LYS HE2 H 1 2.666 0.030 . 1 . . . . 52 LYS HE2 . 10066 1 546 . 1 1 52 52 LYS HE3 H 1 2.666 0.030 . 1 . . . . 52 LYS HE3 . 10066 1 547 . 1 1 52 52 LYS C C 13 176.153 0.300 . 1 . . . . 52 LYS C . 10066 1 548 . 1 1 52 52 LYS CA C 13 54.146 0.300 . 1 . . . . 52 LYS CA . 10066 1 549 . 1 1 52 52 LYS CB C 13 35.600 0.300 . 1 . . . . 52 LYS CB . 10066 1 550 . 1 1 52 52 LYS CG C 13 23.583 0.300 . 1 . . . . 52 LYS CG . 10066 1 551 . 1 1 52 52 LYS CD C 13 29.174 0.300 . 1 . . . . 52 LYS CD . 10066 1 552 . 1 1 52 52 LYS CE C 13 42.025 0.300 . 1 . . . . 52 LYS CE . 10066 1 553 . 1 1 52 52 LYS N N 15 123.909 0.300 . 1 . . . . 52 LYS N . 10066 1 554 . 1 1 53 53 VAL H H 1 8.344 0.030 . 1 . . . . 53 VAL H . 10066 1 555 . 1 1 53 53 VAL HA H 1 3.283 0.030 . 1 . . . . 53 VAL HA . 10066 1 556 . 1 1 53 53 VAL HB H 1 1.828 0.030 . 1 . . . . 53 VAL HB . 10066 1 557 . 1 1 53 53 VAL HG11 H 1 0.881 0.030 . 1 . . . . 53 VAL HG1 . 10066 1 558 . 1 1 53 53 VAL HG12 H 1 0.881 0.030 . 1 . . . . 53 VAL HG1 . 10066 1 559 . 1 1 53 53 VAL HG13 H 1 0.881 0.030 . 1 . . . . 53 VAL HG1 . 10066 1 560 . 1 1 53 53 VAL HG21 H 1 0.889 0.030 . 1 . . . . 53 VAL HG2 . 10066 1 561 . 1 1 53 53 VAL HG22 H 1 0.889 0.030 . 1 . . . . 53 VAL HG2 . 10066 1 562 . 1 1 53 53 VAL HG23 H 1 0.889 0.030 . 1 . . . . 53 VAL HG2 . 10066 1 563 . 1 1 53 53 VAL C C 13 177.194 0.300 . 1 . . . . 53 VAL C . 10066 1 564 . 1 1 53 53 VAL CA C 13 65.439 0.300 . 1 . . . . 53 VAL CA . 10066 1 565 . 1 1 53 53 VAL CB C 13 31.151 0.300 . 1 . . . . 53 VAL CB . 10066 1 566 . 1 1 53 53 VAL CG1 C 13 22.761 0.300 . 2 . . . . 53 VAL CG1 . 10066 1 567 . 1 1 53 53 VAL CG2 C 13 21.199 0.300 . 2 . . . . 53 VAL CG2 . 10066 1 568 . 1 1 53 53 VAL N N 15 121.875 0.300 . 1 . . . . 53 VAL N . 10066 1 569 . 1 1 54 54 GLY H H 1 8.971 0.030 . 1 . . . . 54 GLY H . 10066 1 570 . 1 1 54 54 GLY HA2 H 1 4.543 0.030 . 2 . . . . 54 GLY HA2 . 10066 1 571 . 1 1 54 54 GLY HA3 H 1 3.476 0.030 . 2 . . . . 54 GLY HA3 . 10066 1 572 . 1 1 54 54 GLY C C 13 175.111 0.300 . 1 . . . . 54 GLY C . 10066 1 573 . 1 1 54 54 GLY CA C 13 44.484 0.300 . 1 . . . . 54 GLY CA . 10066 1 574 . 1 1 54 54 GLY N N 15 117.018 0.300 . 1 . . . . 54 GLY N . 10066 1 575 . 1 1 55 55 HIS H H 1 8.055 0.030 . 1 . . . . 55 HIS H . 10066 1 576 . 1 1 55 55 HIS HA H 1 4.606 0.030 . 1 . . . . 55 HIS HA . 10066 1 577 . 1 1 55 55 HIS HB2 H 1 3.549 0.030 . 2 . . . . 55 HIS HB2 . 10066 1 578 . 1 1 55 55 HIS HB3 H 1 2.624 0.030 . 2 . . . . 55 HIS HB3 . 10066 1 579 . 1 1 55 55 HIS HD2 H 1 6.770 0.030 . 1 . . . . 55 HIS HD2 . 10066 1 580 . 1 1 55 55 HIS HE1 H 1 7.917 0.030 . 1 . . . . 55 HIS HE1 . 10066 1 581 . 1 1 55 55 HIS C C 13 175.329 0.300 . 1 . . . . 55 HIS C . 10066 1 582 . 1 1 55 55 HIS CA C 13 58.574 0.300 . 1 . . . . 55 HIS CA . 10066 1 583 . 1 1 55 55 HIS CB C 13 32.957 0.300 . 1 . . . . 55 HIS CB . 10066 1 584 . 1 1 55 55 HIS CD2 C 13 114.871 0.300 . 1 . . . . 55 HIS CD2 . 10066 1 585 . 1 1 55 55 HIS CE1 C 13 138.364 0.300 . 1 . . . . 55 HIS CE1 . 10066 1 586 . 1 1 55 55 HIS N N 15 121.065 0.300 . 1 . . . . 55 HIS N . 10066 1 587 . 1 1 56 56 VAL H H 1 8.855 0.030 . 1 . . . . 56 VAL H . 10066 1 588 . 1 1 56 56 VAL HA H 1 4.608 0.030 . 1 . . . . 56 VAL HA . 10066 1 589 . 1 1 56 56 VAL HB H 1 1.890 0.030 . 1 . . . . 56 VAL HB . 10066 1 590 . 1 1 56 56 VAL HG11 H 1 0.933 0.030 . 1 . . . . 56 VAL HG1 . 10066 1 591 . 1 1 56 56 VAL HG12 H 1 0.933 0.030 . 1 . . . . 56 VAL HG1 . 10066 1 592 . 1 1 56 56 VAL HG13 H 1 0.933 0.030 . 1 . . . . 56 VAL HG1 . 10066 1 593 . 1 1 56 56 VAL HG21 H 1 0.749 0.030 . 1 . . . . 56 VAL HG2 . 10066 1 594 . 1 1 56 56 VAL HG22 H 1 0.749 0.030 . 1 . . . . 56 VAL HG2 . 10066 1 595 . 1 1 56 56 VAL HG23 H 1 0.749 0.030 . 1 . . . . 56 VAL HG2 . 10066 1 596 . 1 1 56 56 VAL C C 13 175.838 0.300 . 1 . . . . 56 VAL C . 10066 1 597 . 1 1 56 56 VAL CA C 13 61.280 0.300 . 1 . . . . 56 VAL CA . 10066 1 598 . 1 1 56 56 VAL CB C 13 32.874 0.300 . 1 . . . . 56 VAL CB . 10066 1 599 . 1 1 56 56 VAL CG1 C 13 21.600 0.300 . 2 . . . . 56 VAL CG1 . 10066 1 600 . 1 1 56 56 VAL CG2 C 13 22.337 0.300 . 2 . . . . 56 VAL CG2 . 10066 1 601 . 1 1 56 56 VAL N N 15 123.578 0.300 . 1 . . . . 56 VAL N . 10066 1 602 . 1 1 57 57 ILE H H 1 8.727 0.030 . 1 . . . . 57 ILE H . 10066 1 603 . 1 1 57 57 ILE HA H 1 4.173 0.030 . 1 . . . . 57 ILE HA . 10066 1 604 . 1 1 57 57 ILE HB H 1 1.630 0.030 . 1 . . . . 57 ILE HB . 10066 1 605 . 1 1 57 57 ILE HG12 H 1 0.587 0.030 . 2 . . . . 57 ILE HG12 . 10066 1 606 . 1 1 57 57 ILE HG13 H 1 1.584 0.030 . 2 . . . . 57 ILE HG13 . 10066 1 607 . 1 1 57 57 ILE HG21 H 1 0.861 0.030 . 1 . . . . 57 ILE HG2 . 10066 1 608 . 1 1 57 57 ILE HG22 H 1 0.861 0.030 . 1 . . . . 57 ILE HG2 . 10066 1 609 . 1 1 57 57 ILE HG23 H 1 0.861 0.030 . 1 . . . . 57 ILE HG2 . 10066 1 610 . 1 1 57 57 ILE HD11 H 1 0.540 0.030 . 1 . . . . 57 ILE HD1 . 10066 1 611 . 1 1 57 57 ILE HD12 H 1 0.540 0.030 . 1 . . . . 57 ILE HD1 . 10066 1 612 . 1 1 57 57 ILE HD13 H 1 0.540 0.030 . 1 . . . . 57 ILE HD1 . 10066 1 613 . 1 1 57 57 ILE C C 13 173.148 0.300 . 1 . . . . 57 ILE C . 10066 1 614 . 1 1 57 57 ILE CA C 13 61.481 0.300 . 1 . . . . 57 ILE CA . 10066 1 615 . 1 1 57 57 ILE CB C 13 38.896 0.300 . 1 . . . . 57 ILE CB . 10066 1 616 . 1 1 57 57 ILE CG1 C 13 26.708 0.300 . 1 . . . . 57 ILE CG1 . 10066 1 617 . 1 1 57 57 ILE CG2 C 13 20.555 0.300 . 1 . . . . 57 ILE CG2 . 10066 1 618 . 1 1 57 57 ILE CD1 C 13 13.799 0.300 . 1 . . . . 57 ILE CD1 . 10066 1 619 . 1 1 57 57 ILE N N 15 125.689 0.300 . 1 . . . . 57 ILE N . 10066 1 620 . 1 1 58 58 LEU H H 1 8.934 0.030 . 1 . . . . 58 LEU H . 10066 1 621 . 1 1 58 58 LEU HA H 1 4.444 0.030 . 1 . . . . 58 LEU HA . 10066 1 622 . 1 1 58 58 LEU HB2 H 1 1.596 0.030 . 1 . . . . 58 LEU HB2 . 10066 1 623 . 1 1 58 58 LEU HB3 H 1 1.596 0.030 . 1 . . . . 58 LEU HB3 . 10066 1 624 . 1 1 58 58 LEU HG H 1 1.607 0.030 . 1 . . . . 58 LEU HG . 10066 1 625 . 1 1 58 58 LEU HD11 H 1 0.765 0.030 . 1 . . . . 58 LEU HD1 . 10066 1 626 . 1 1 58 58 LEU HD12 H 1 0.765 0.030 . 1 . . . . 58 LEU HD1 . 10066 1 627 . 1 1 58 58 LEU HD13 H 1 0.765 0.030 . 1 . . . . 58 LEU HD1 . 10066 1 628 . 1 1 58 58 LEU HD21 H 1 0.831 0.030 . 1 . . . . 58 LEU HD2 . 10066 1 629 . 1 1 58 58 LEU HD22 H 1 0.831 0.030 . 1 . . . . 58 LEU HD2 . 10066 1 630 . 1 1 58 58 LEU HD23 H 1 0.831 0.030 . 1 . . . . 58 LEU HD2 . 10066 1 631 . 1 1 58 58 LEU C C 13 179.399 0.300 . 1 . . . . 58 LEU C . 10066 1 632 . 1 1 58 58 LEU CA C 13 56.546 0.300 . 1 . . . . 58 LEU CA . 10066 1 633 . 1 1 58 58 LEU CB C 13 44.034 0.300 . 1 . . . . 58 LEU CB . 10066 1 634 . 1 1 58 58 LEU CG C 13 27.477 0.300 . 1 . . . . 58 LEU CG . 10066 1 635 . 1 1 58 58 LEU CD1 C 13 25.372 0.300 . 2 . . . . 58 LEU CD1 . 10066 1 636 . 1 1 58 58 LEU CD2 C 13 23.793 0.300 . 2 . . . . 58 LEU CD2 . 10066 1 637 . 1 1 58 58 LEU N N 15 122.814 0.300 . 1 . . . . 58 LEU N . 10066 1 638 . 1 1 59 59 GLU H H 1 7.667 0.030 . 1 . . . . 59 GLU H . 10066 1 639 . 1 1 59 59 GLU HA H 1 5.216 0.030 . 1 . . . . 59 GLU HA . 10066 1 640 . 1 1 59 59 GLU HB2 H 1 2.055 0.030 . 1 . . . . 59 GLU HB2 . 10066 1 641 . 1 1 59 59 GLU HB3 H 1 2.055 0.030 . 1 . . . . 59 GLU HB3 . 10066 1 642 . 1 1 59 59 GLU HG2 H 1 1.883 0.030 . 2 . . . . 59 GLU HG2 . 10066 1 643 . 1 1 59 59 GLU HG3 H 1 1.488 0.030 . 2 . . . . 59 GLU HG3 . 10066 1 644 . 1 1 59 59 GLU C C 13 175.208 0.300 . 1 . . . . 59 GLU C . 10066 1 645 . 1 1 59 59 GLU CA C 13 54.568 0.300 . 1 . . . . 59 GLU CA . 10066 1 646 . 1 1 59 59 GLU CB C 13 36.092 0.300 . 1 . . . . 59 GLU CB . 10066 1 647 . 1 1 59 59 GLU CG C 13 35.914 0.300 . 1 . . . . 59 GLU CG . 10066 1 648 . 1 1 59 59 GLU N N 15 114.210 0.300 . 1 . . . . 59 GLU N . 10066 1 649 . 1 1 60 60 VAL H H 1 8.308 0.030 . 1 . . . . 60 VAL H . 10066 1 650 . 1 1 60 60 VAL HA H 1 4.502 0.030 . 1 . . . . 60 VAL HA . 10066 1 651 . 1 1 60 60 VAL HB H 1 1.744 0.030 . 1 . . . . 60 VAL HB . 10066 1 652 . 1 1 60 60 VAL HG11 H 1 0.838 0.030 . 1 . . . . 60 VAL HG1 . 10066 1 653 . 1 1 60 60 VAL HG12 H 1 0.838 0.030 . 1 . . . . 60 VAL HG1 . 10066 1 654 . 1 1 60 60 VAL HG13 H 1 0.838 0.030 . 1 . . . . 60 VAL HG1 . 10066 1 655 . 1 1 60 60 VAL HG21 H 1 0.558 0.030 . 1 . . . . 60 VAL HG2 . 10066 1 656 . 1 1 60 60 VAL HG22 H 1 0.558 0.030 . 1 . . . . 60 VAL HG2 . 10066 1 657 . 1 1 60 60 VAL HG23 H 1 0.558 0.030 . 1 . . . . 60 VAL HG2 . 10066 1 658 . 1 1 60 60 VAL C C 13 175.426 0.300 . 1 . . . . 60 VAL C . 10066 1 659 . 1 1 60 60 VAL CA C 13 60.288 0.300 . 1 . . . . 60 VAL CA . 10066 1 660 . 1 1 60 60 VAL CB C 13 34.117 0.300 . 1 . . . . 60 VAL CB . 10066 1 661 . 1 1 60 60 VAL CG1 C 13 21.984 0.300 . 2 . . . . 60 VAL CG1 . 10066 1 662 . 1 1 60 60 VAL CG2 C 13 20.705 0.300 . 2 . . . . 60 VAL CG2 . 10066 1 663 . 1 1 60 60 VAL N N 15 119.563 0.300 . 1 . . . . 60 VAL N . 10066 1 664 . 1 1 61 61 ASN H H 1 9.854 0.030 . 1 . . . . 61 ASN H . 10066 1 665 . 1 1 61 61 ASN HA H 1 4.474 0.030 . 1 . . . . 61 ASN HA . 10066 1 666 . 1 1 61 61 ASN HB2 H 1 3.028 0.030 . 2 . . . . 61 ASN HB2 . 10066 1 667 . 1 1 61 61 ASN HB3 H 1 2.956 0.030 . 2 . . . . 61 ASN HB3 . 10066 1 668 . 1 1 61 61 ASN HD21 H 1 7.814 0.030 . 2 . . . . 61 ASN HD21 . 10066 1 669 . 1 1 61 61 ASN HD22 H 1 7.460 0.030 . 2 . . . . 61 ASN HD22 . 10066 1 670 . 1 1 61 61 ASN C C 13 175.692 0.300 . 1 . . . . 61 ASN C . 10066 1 671 . 1 1 61 61 ASN CA C 13 53.971 0.300 . 1 . . . . 61 ASN CA . 10066 1 672 . 1 1 61 61 ASN CB C 13 36.821 0.300 . 1 . . . . 61 ASN CB . 10066 1 673 . 1 1 61 61 ASN N N 15 127.892 0.300 . 1 . . . . 61 ASN N . 10066 1 674 . 1 1 61 61 ASN ND2 N 15 113.032 0.300 . 1 . . . . 61 ASN ND2 . 10066 1 675 . 1 1 62 62 GLY H H 1 8.996 0.030 . 1 . . . . 62 GLY H . 10066 1 676 . 1 1 62 62 GLY HA2 H 1 4.034 0.030 . 2 . . . . 62 GLY HA2 . 10066 1 677 . 1 1 62 62 GLY HA3 H 1 3.783 0.030 . 2 . . . . 62 GLY HA3 . 10066 1 678 . 1 1 62 62 GLY C C 13 173.245 0.300 . 1 . . . . 62 GLY C . 10066 1 679 . 1 1 62 62 GLY CA C 13 45.474 0.300 . 1 . . . . 62 GLY CA . 10066 1 680 . 1 1 62 62 GLY N N 15 103.523 0.300 . 1 . . . . 62 GLY N . 10066 1 681 . 1 1 63 63 LEU H H 1 8.060 0.030 . 1 . . . . 63 LEU H . 10066 1 682 . 1 1 63 63 LEU HA H 1 4.564 0.030 . 1 . . . . 63 LEU HA . 10066 1 683 . 1 1 63 63 LEU HB2 H 1 1.746 0.030 . 1 . . . . 63 LEU HB2 . 10066 1 684 . 1 1 63 63 LEU HB3 H 1 1.746 0.030 . 1 . . . . 63 LEU HB3 . 10066 1 685 . 1 1 63 63 LEU HG H 1 1.637 0.030 . 1 . . . . 63 LEU HG . 10066 1 686 . 1 1 63 63 LEU HD11 H 1 0.969 0.030 . 1 . . . . 63 LEU HD1 . 10066 1 687 . 1 1 63 63 LEU HD12 H 1 0.969 0.030 . 1 . . . . 63 LEU HD1 . 10066 1 688 . 1 1 63 63 LEU HD13 H 1 0.969 0.030 . 1 . . . . 63 LEU HD1 . 10066 1 689 . 1 1 63 63 LEU HD21 H 1 0.897 0.030 . 1 . . . . 63 LEU HD2 . 10066 1 690 . 1 1 63 63 LEU HD22 H 1 0.897 0.030 . 1 . . . . 63 LEU HD2 . 10066 1 691 . 1 1 63 63 LEU HD23 H 1 0.897 0.030 . 1 . . . . 63 LEU HD2 . 10066 1 692 . 1 1 63 63 LEU C C 13 176.443 0.300 . 1 . . . . 63 LEU C . 10066 1 693 . 1 1 63 63 LEU CA C 13 53.619 0.300 . 1 . . . . 63 LEU CA . 10066 1 694 . 1 1 63 63 LEU CB C 13 42.251 0.300 . 1 . . . . 63 LEU CB . 10066 1 695 . 1 1 63 63 LEU CG C 13 26.708 0.300 . 1 . . . . 63 LEU CG . 10066 1 696 . 1 1 63 63 LEU CD1 C 13 24.819 0.300 . 2 . . . . 63 LEU CD1 . 10066 1 697 . 1 1 63 63 LEU CD2 C 13 24.709 0.300 . 2 . . . . 63 LEU CD2 . 10066 1 698 . 1 1 63 63 LEU N N 15 123.503 0.300 . 1 . . . . 63 LEU N . 10066 1 699 . 1 1 64 64 THR H H 1 8.340 0.030 . 1 . . . . 64 THR H . 10066 1 700 . 1 1 64 64 THR HA H 1 4.606 0.030 . 1 . . . . 64 THR HA . 10066 1 701 . 1 1 64 64 THR HB H 1 4.410 0.030 . 1 . . . . 64 THR HB . 10066 1 702 . 1 1 64 64 THR HG21 H 1 1.323 0.030 . 1 . . . . 64 THR HG2 . 10066 1 703 . 1 1 64 64 THR HG22 H 1 1.323 0.030 . 1 . . . . 64 THR HG2 . 10066 1 704 . 1 1 64 64 THR HG23 H 1 1.323 0.030 . 1 . . . . 64 THR HG2 . 10066 1 705 . 1 1 64 64 THR C C 13 173.754 0.300 . 1 . . . . 64 THR C . 10066 1 706 . 1 1 64 64 THR CA C 13 62.229 0.300 . 1 . . . . 64 THR CA . 10066 1 707 . 1 1 64 64 THR CB C 13 68.841 0.300 . 1 . . . . 64 THR CB . 10066 1 708 . 1 1 64 64 THR CG2 C 13 20.271 0.300 . 1 . . . . 64 THR CG2 . 10066 1 709 . 1 1 64 64 THR N N 15 118.890 0.300 . 1 . . . . 64 THR N . 10066 1 710 . 1 1 65 65 LEU H H 1 7.975 0.030 . 1 . . . . 65 LEU H . 10066 1 711 . 1 1 65 65 LEU HA H 1 4.484 0.030 . 1 . . . . 65 LEU HA . 10066 1 712 . 1 1 65 65 LEU HB2 H 1 1.750 0.030 . 2 . . . . 65 LEU HB2 . 10066 1 713 . 1 1 65 65 LEU HB3 H 1 1.633 0.030 . 2 . . . . 65 LEU HB3 . 10066 1 714 . 1 1 65 65 LEU HG H 1 1.566 0.030 . 1 . . . . 65 LEU HG . 10066 1 715 . 1 1 65 65 LEU HD11 H 1 0.830 0.030 . 1 . . . . 65 LEU HD1 . 10066 1 716 . 1 1 65 65 LEU HD12 H 1 0.830 0.030 . 1 . . . . 65 LEU HD1 . 10066 1 717 . 1 1 65 65 LEU HD13 H 1 0.830 0.030 . 1 . . . . 65 LEU HD1 . 10066 1 718 . 1 1 65 65 LEU HD21 H 1 0.791 0.030 . 1 . . . . 65 LEU HD2 . 10066 1 719 . 1 1 65 65 LEU HD22 H 1 0.791 0.030 . 1 . . . . 65 LEU HD2 . 10066 1 720 . 1 1 65 65 LEU HD23 H 1 0.791 0.030 . 1 . . . . 65 LEU HD2 . 10066 1 721 . 1 1 65 65 LEU C C 13 177.752 0.300 . 1 . . . . 65 LEU C . 10066 1 722 . 1 1 65 65 LEU CA C 13 53.865 0.300 . 1 . . . . 65 LEU CA . 10066 1 723 . 1 1 65 65 LEU CB C 13 40.798 0.300 . 1 . . . . 65 LEU CB . 10066 1 724 . 1 1 65 65 LEU CG C 13 27.448 0.300 . 1 . . . . 65 LEU CG . 10066 1 725 . 1 1 65 65 LEU CD1 C 13 25.927 0.300 . 2 . . . . 65 LEU CD1 . 10066 1 726 . 1 1 65 65 LEU CD2 C 13 23.178 0.300 . 2 . . . . 65 LEU CD2 . 10066 1 727 . 1 1 65 65 LEU N N 15 122.945 0.300 . 1 . . . . 65 LEU N . 10066 1 728 . 1 1 66 66 ARG H H 1 8.531 0.030 . 1 . . . . 66 ARG H . 10066 1 729 . 1 1 66 66 ARG HA H 1 4.053 0.030 . 1 . . . . 66 ARG HA . 10066 1 730 . 1 1 66 66 ARG HB2 H 1 1.828 0.030 . 1 . . . . 66 ARG HB2 . 10066 1 731 . 1 1 66 66 ARG HB3 H 1 1.828 0.030 . 1 . . . . 66 ARG HB3 . 10066 1 732 . 1 1 66 66 ARG HG2 H 1 1.704 0.030 . 2 . . . . 66 ARG HG2 . 10066 1 733 . 1 1 66 66 ARG HG3 H 1 1.618 0.030 . 2 . . . . 66 ARG HG3 . 10066 1 734 . 1 1 66 66 ARG HD2 H 1 3.278 0.030 . 2 . . . . 66 ARG HD2 . 10066 1 735 . 1 1 66 66 ARG HD3 H 1 3.221 0.030 . 2 . . . . 66 ARG HD3 . 10066 1 736 . 1 1 66 66 ARG C C 13 177.679 0.300 . 1 . . . . 66 ARG C . 10066 1 737 . 1 1 66 66 ARG CA C 13 58.279 0.300 . 1 . . . . 66 ARG CA . 10066 1 738 . 1 1 66 66 ARG CB C 13 29.668 0.300 . 1 . . . . 66 ARG CB . 10066 1 739 . 1 1 66 66 ARG CG C 13 27.691 0.300 . 1 . . . . 66 ARG CG . 10066 1 740 . 1 1 66 66 ARG CD C 13 43.376 0.300 . 1 . . . . 66 ARG CD . 10066 1 741 . 1 1 66 66 ARG N N 15 123.657 0.300 . 1 . . . . 66 ARG N . 10066 1 742 . 1 1 67 67 GLY H H 1 9.532 0.030 . 1 . . . . 67 GLY H . 10066 1 743 . 1 1 67 67 GLY HA2 H 1 4.225 0.030 . 2 . . . . 67 GLY HA2 . 10066 1 744 . 1 1 67 67 GLY HA3 H 1 3.693 0.030 . 2 . . . . 67 GLY HA3 . 10066 1 745 . 1 1 67 67 GLY C C 13 174.263 0.300 . 1 . . . . 67 GLY C . 10066 1 746 . 1 1 67 67 GLY CA C 13 45.508 0.300 . 1 . . . . 67 GLY CA . 10066 1 747 . 1 1 67 67 GLY N N 15 114.517 0.300 . 1 . . . . 67 GLY N . 10066 1 748 . 1 1 68 68 LYS H H 1 7.663 0.030 . 1 . . . . 68 LYS H . 10066 1 749 . 1 1 68 68 LYS HA H 1 4.667 0.030 . 1 . . . . 68 LYS HA . 10066 1 750 . 1 1 68 68 LYS HB2 H 1 2.078 0.030 . 2 . . . . 68 LYS HB2 . 10066 1 751 . 1 1 68 68 LYS HB3 H 1 1.652 0.030 . 2 . . . . 68 LYS HB3 . 10066 1 752 . 1 1 68 68 LYS HG2 H 1 1.325 0.030 . 1 . . . . 68 LYS HG2 . 10066 1 753 . 1 1 68 68 LYS HG3 H 1 1.325 0.030 . 1 . . . . 68 LYS HG3 . 10066 1 754 . 1 1 68 68 LYS HD2 H 1 1.589 0.030 . 2 . . . . 68 LYS HD2 . 10066 1 755 . 1 1 68 68 LYS HD3 H 1 1.526 0.030 . 2 . . . . 68 LYS HD3 . 10066 1 756 . 1 1 68 68 LYS HE2 H 1 3.005 0.030 . 2 . . . . 68 LYS HE2 . 10066 1 757 . 1 1 68 68 LYS HE3 H 1 2.963 0.030 . 2 . . . . 68 LYS HE3 . 10066 1 758 . 1 1 68 68 LYS C C 13 177.146 0.300 . 1 . . . . 68 LYS C . 10066 1 759 . 1 1 68 68 LYS CA C 13 54.181 0.300 . 1 . . . . 68 LYS CA . 10066 1 760 . 1 1 68 68 LYS CB C 13 32.107 0.300 . 1 . . . . 68 LYS CB . 10066 1 761 . 1 1 68 68 LYS CG C 13 25.583 0.300 . 1 . . . . 68 LYS CG . 10066 1 762 . 1 1 68 68 LYS CD C 13 28.461 0.300 . 1 . . . . 68 LYS CD . 10066 1 763 . 1 1 68 68 LYS CE C 13 42.823 0.300 . 1 . . . . 68 LYS CE . 10066 1 764 . 1 1 68 68 LYS N N 15 118.703 0.300 . 1 . . . . 68 LYS N . 10066 1 765 . 1 1 69 69 GLU H H 1 9.365 0.030 . 1 . . . . 69 GLU H . 10066 1 766 . 1 1 69 69 GLU HA H 1 4.338 0.030 . 1 . . . . 69 GLU HA . 10066 1 767 . 1 1 69 69 GLU HB2 H 1 2.391 0.030 . 2 . . . . 69 GLU HB2 . 10066 1 768 . 1 1 69 69 GLU HB3 H 1 2.115 0.030 . 2 . . . . 69 GLU HB3 . 10066 1 769 . 1 1 69 69 GLU HG2 H 1 2.527 0.030 . 2 . . . . 69 GLU HG2 . 10066 1 770 . 1 1 69 69 GLU HG3 H 1 2.375 0.030 . 2 . . . . 69 GLU HG3 . 10066 1 771 . 1 1 69 69 GLU C C 13 176.516 0.300 . 1 . . . . 69 GLU C . 10066 1 772 . 1 1 69 69 GLU CA C 13 56.864 0.300 . 1 . . . . 69 GLU CA . 10066 1 773 . 1 1 69 69 GLU CB C 13 30.594 0.300 . 1 . . . . 69 GLU CB . 10066 1 774 . 1 1 69 69 GLU CG C 13 37.255 0.300 . 1 . . . . 69 GLU CG . 10066 1 775 . 1 1 69 69 GLU N N 15 124.355 0.300 . 1 . . . . 69 GLU N . 10066 1 776 . 1 1 70 70 HIS H H 1 9.493 0.030 . 1 . . . . 70 HIS H . 10066 1 777 . 1 1 70 70 HIS HA H 1 4.244 0.030 . 1 . . . . 70 HIS HA . 10066 1 778 . 1 1 70 70 HIS HB2 H 1 3.319 0.030 . 2 . . . . 70 HIS HB2 . 10066 1 779 . 1 1 70 70 HIS HB3 H 1 3.250 0.030 . 2 . . . . 70 HIS HB3 . 10066 1 780 . 1 1 70 70 HIS HD2 H 1 6.889 0.030 . 1 . . . . 70 HIS HD2 . 10066 1 781 . 1 1 70 70 HIS HE1 H 1 7.748 0.030 . 1 . . . . 70 HIS HE1 . 10066 1 782 . 1 1 70 70 HIS C C 13 176.928 0.300 . 1 . . . . 70 HIS C . 10066 1 783 . 1 1 70 70 HIS CA C 13 61.776 0.300 . 1 . . . . 70 HIS CA . 10066 1 784 . 1 1 70 70 HIS CB C 13 29.566 0.300 . 1 . . . . 70 HIS CB . 10066 1 785 . 1 1 70 70 HIS CD2 C 13 125.053 0.300 . 1 . . . . 70 HIS CD2 . 10066 1 786 . 1 1 70 70 HIS CE1 C 13 137.926 0.300 . 1 . . . . 70 HIS CE1 . 10066 1 787 . 1 1 70 70 HIS N N 15 123.196 0.300 . 1 . . . . 70 HIS N . 10066 1 788 . 1 1 71 71 ARG H H 1 9.055 0.030 . 1 . . . . 71 ARG H . 10066 1 789 . 1 1 71 71 ARG HA H 1 3.976 0.030 . 1 . . . . 71 ARG HA . 10066 1 790 . 1 1 71 71 ARG HB2 H 1 2.021 0.030 . 2 . . . . 71 ARG HB2 . 10066 1 791 . 1 1 71 71 ARG HB3 H 1 1.896 0.030 . 2 . . . . 71 ARG HB3 . 10066 1 792 . 1 1 71 71 ARG HG2 H 1 1.794 0.030 . 2 . . . . 71 ARG HG2 . 10066 1 793 . 1 1 71 71 ARG HG3 H 1 1.721 0.030 . 2 . . . . 71 ARG HG3 . 10066 1 794 . 1 1 71 71 ARG HD2 H 1 3.285 0.030 . 1 . . . . 71 ARG HD2 . 10066 1 795 . 1 1 71 71 ARG HD3 H 1 3.285 0.030 . 1 . . . . 71 ARG HD3 . 10066 1 796 . 1 1 71 71 ARG C C 13 179.060 0.300 . 1 . . . . 71 ARG C . 10066 1 797 . 1 1 71 71 ARG CA C 13 59.277 0.300 . 1 . . . . 71 ARG CA . 10066 1 798 . 1 1 71 71 ARG CB C 13 29.681 0.300 . 1 . . . . 71 ARG CB . 10066 1 799 . 1 1 71 71 ARG CG C 13 27.490 0.300 . 1 . . . . 71 ARG CG . 10066 1 800 . 1 1 71 71 ARG CD C 13 43.478 0.300 . 1 . . . . 71 ARG CD . 10066 1 801 . 1 1 71 71 ARG N N 15 114.760 0.300 . 1 . . . . 71 ARG N . 10066 1 802 . 1 1 72 72 GLU H H 1 7.198 0.030 . 1 . . . . 72 GLU H . 10066 1 803 . 1 1 72 72 GLU HA H 1 4.413 0.030 . 1 . . . . 72 GLU HA . 10066 1 804 . 1 1 72 72 GLU HB2 H 1 2.252 0.030 . 2 . . . . 72 GLU HB2 . 10066 1 805 . 1 1 72 72 GLU HB3 H 1 2.074 0.030 . 2 . . . . 72 GLU HB3 . 10066 1 806 . 1 1 72 72 GLU HG2 H 1 2.363 0.030 . 1 . . . . 72 GLU HG2 . 10066 1 807 . 1 1 72 72 GLU HG3 H 1 2.363 0.030 . 1 . . . . 72 GLU HG3 . 10066 1 808 . 1 1 72 72 GLU C C 13 177.970 0.300 . 1 . . . . 72 GLU C . 10066 1 809 . 1 1 72 72 GLU CA C 13 58.117 0.300 . 1 . . . . 72 GLU CA . 10066 1 810 . 1 1 72 72 GLU CB C 13 29.926 0.300 . 1 . . . . 72 GLU CB . 10066 1 811 . 1 1 72 72 GLU CG C 13 35.917 0.300 . 1 . . . . 72 GLU CG . 10066 1 812 . 1 1 72 72 GLU N N 15 120.312 0.300 . 1 . . . . 72 GLU N . 10066 1 813 . 1 1 73 73 ALA H H 1 8.480 0.030 . 1 . . . . 73 ALA H . 10066 1 814 . 1 1 73 73 ALA HA H 1 3.923 0.030 . 1 . . . . 73 ALA HA . 10066 1 815 . 1 1 73 73 ALA HB1 H 1 1.393 0.030 . 1 . . . . 73 ALA HB . 10066 1 816 . 1 1 73 73 ALA HB2 H 1 1.393 0.030 . 1 . . . . 73 ALA HB . 10066 1 817 . 1 1 73 73 ALA HB3 H 1 1.393 0.030 . 1 . . . . 73 ALA HB . 10066 1 818 . 1 1 73 73 ALA C C 13 178.890 0.300 . 1 . . . . 73 ALA C . 10066 1 819 . 1 1 73 73 ALA CA C 13 55.552 0.300 . 1 . . . . 73 ALA CA . 10066 1 820 . 1 1 73 73 ALA CB C 13 17.921 0.300 . 1 . . . . 73 ALA CB . 10066 1 821 . 1 1 73 73 ALA N N 15 122.543 0.300 . 1 . . . . 73 ALA N . 10066 1 822 . 1 1 74 74 ALA H H 1 8.363 0.030 . 1 . . . . 74 ALA H . 10066 1 823 . 1 1 74 74 ALA HA H 1 3.830 0.030 . 1 . . . . 74 ALA HA . 10066 1 824 . 1 1 74 74 ALA HB1 H 1 1.304 0.030 . 1 . . . . 74 ALA HB . 10066 1 825 . 1 1 74 74 ALA HB2 H 1 1.304 0.030 . 1 . . . . 74 ALA HB . 10066 1 826 . 1 1 74 74 ALA HB3 H 1 1.304 0.030 . 1 . . . . 74 ALA HB . 10066 1 827 . 1 1 74 74 ALA C C 13 180.441 0.300 . 1 . . . . 74 ALA C . 10066 1 828 . 1 1 74 74 ALA CA C 13 55.209 0.300 . 1 . . . . 74 ALA CA . 10066 1 829 . 1 1 74 74 ALA CB C 13 17.383 0.300 . 1 . . . . 74 ALA CB . 10066 1 830 . 1 1 74 74 ALA N N 15 117.050 0.300 . 1 . . . . 74 ALA N . 10066 1 831 . 1 1 75 75 ARG H H 1 7.758 0.030 . 1 . . . . 75 ARG H . 10066 1 832 . 1 1 75 75 ARG HA H 1 4.155 0.030 . 1 . . . . 75 ARG HA . 10066 1 833 . 1 1 75 75 ARG HB2 H 1 2.109 0.030 . 2 . . . . 75 ARG HB2 . 10066 1 834 . 1 1 75 75 ARG HB3 H 1 1.991 0.030 . 2 . . . . 75 ARG HB3 . 10066 1 835 . 1 1 75 75 ARG HG2 H 1 1.759 0.030 . 2 . . . . 75 ARG HG2 . 10066 1 836 . 1 1 75 75 ARG HG3 H 1 1.604 0.030 . 2 . . . . 75 ARG HG3 . 10066 1 837 . 1 1 75 75 ARG HD2 H 1 3.342 0.030 . 2 . . . . 75 ARG HD2 . 10066 1 838 . 1 1 75 75 ARG HD3 H 1 3.141 0.030 . 2 . . . . 75 ARG HD3 . 10066 1 839 . 1 1 75 75 ARG C C 13 178.091 0.300 . 1 . . . . 75 ARG C . 10066 1 840 . 1 1 75 75 ARG CA C 13 59.597 0.300 . 1 . . . . 75 ARG CA . 10066 1 841 . 1 1 75 75 ARG CB C 13 29.914 0.300 . 1 . . . . 75 ARG CB . 10066 1 842 . 1 1 75 75 ARG CG C 13 27.041 0.300 . 1 . . . . 75 ARG CG . 10066 1 843 . 1 1 75 75 ARG CD C 13 43.074 0.300 . 1 . . . . 75 ARG CD . 10066 1 844 . 1 1 75 75 ARG N N 15 121.089 0.300 . 1 . . . . 75 ARG N . 10066 1 845 . 1 1 76 76 ILE H H 1 8.480 0.030 . 1 . . . . 76 ILE H . 10066 1 846 . 1 1 76 76 ILE HA H 1 3.596 0.030 . 1 . . . . 76 ILE HA . 10066 1 847 . 1 1 76 76 ILE HB H 1 1.946 0.030 . 1 . . . . 76 ILE HB . 10066 1 848 . 1 1 76 76 ILE HG12 H 1 1.822 0.030 . 2 . . . . 76 ILE HG12 . 10066 1 849 . 1 1 76 76 ILE HG13 H 1 1.072 0.030 . 2 . . . . 76 ILE HG13 . 10066 1 850 . 1 1 76 76 ILE HG21 H 1 0.847 0.030 . 1 . . . . 76 ILE HG2 . 10066 1 851 . 1 1 76 76 ILE HG22 H 1 0.847 0.030 . 1 . . . . 76 ILE HG2 . 10066 1 852 . 1 1 76 76 ILE HG23 H 1 0.847 0.030 . 1 . . . . 76 ILE HG2 . 10066 1 853 . 1 1 76 76 ILE HD11 H 1 0.795 0.030 . 1 . . . . 76 ILE HD1 . 10066 1 854 . 1 1 76 76 ILE HD12 H 1 0.795 0.030 . 1 . . . . 76 ILE HD1 . 10066 1 855 . 1 1 76 76 ILE HD13 H 1 0.795 0.030 . 1 . . . . 76 ILE HD1 . 10066 1 856 . 1 1 76 76 ILE C C 13 179.569 0.300 . 1 . . . . 76 ILE C . 10066 1 857 . 1 1 76 76 ILE CA C 13 65.638 0.300 . 1 . . . . 76 ILE CA . 10066 1 858 . 1 1 76 76 ILE CB C 13 38.299 0.300 . 1 . . . . 76 ILE CB . 10066 1 859 . 1 1 76 76 ILE CG1 C 13 30.079 0.300 . 1 . . . . 76 ILE CG1 . 10066 1 860 . 1 1 76 76 ILE CG2 C 13 16.960 0.300 . 1 . . . . 76 ILE CG2 . 10066 1 861 . 1 1 76 76 ILE CD1 C 13 14.421 0.300 . 1 . . . . 76 ILE CD1 . 10066 1 862 . 1 1 76 76 ILE N N 15 121.164 0.300 . 1 . . . . 76 ILE N . 10066 1 863 . 1 1 77 77 ILE H H 1 7.904 0.030 . 1 . . . . 77 ILE H . 10066 1 864 . 1 1 77 77 ILE HA H 1 3.522 0.030 . 1 . . . . 77 ILE HA . 10066 1 865 . 1 1 77 77 ILE HB H 1 1.860 0.030 . 1 . . . . 77 ILE HB . 10066 1 866 . 1 1 77 77 ILE HG12 H 1 2.079 0.030 . 2 . . . . 77 ILE HG12 . 10066 1 867 . 1 1 77 77 ILE HG13 H 1 0.948 0.030 . 2 . . . . 77 ILE HG13 . 10066 1 868 . 1 1 77 77 ILE HG21 H 1 0.971 0.030 . 1 . . . . 77 ILE HG2 . 10066 1 869 . 1 1 77 77 ILE HG22 H 1 0.971 0.030 . 1 . . . . 77 ILE HG2 . 10066 1 870 . 1 1 77 77 ILE HG23 H 1 0.971 0.030 . 1 . . . . 77 ILE HG2 . 10066 1 871 . 1 1 77 77 ILE HD11 H 1 0.802 0.030 . 1 . . . . 77 ILE HD1 . 10066 1 872 . 1 1 77 77 ILE HD12 H 1 0.802 0.030 . 1 . . . . 77 ILE HD1 . 10066 1 873 . 1 1 77 77 ILE HD13 H 1 0.802 0.030 . 1 . . . . 77 ILE HD1 . 10066 1 874 . 1 1 77 77 ILE C C 13 176.346 0.300 . 1 . . . . 77 ILE C . 10066 1 875 . 1 1 77 77 ILE CA C 13 66.727 0.300 . 1 . . . . 77 ILE CA . 10066 1 876 . 1 1 77 77 ILE CB C 13 38.658 0.300 . 1 . . . . 77 ILE CB . 10066 1 877 . 1 1 77 77 ILE CG1 C 13 31.371 0.300 . 1 . . . . 77 ILE CG1 . 10066 1 878 . 1 1 77 77 ILE CG2 C 13 18.162 0.300 . 1 . . . . 77 ILE CG2 . 10066 1 879 . 1 1 77 77 ILE CD1 C 13 13.900 0.300 . 1 . . . . 77 ILE CD1 . 10066 1 880 . 1 1 77 77 ILE N N 15 120.157 0.300 . 1 . . . . 77 ILE N . 10066 1 881 . 1 1 78 78 ALA H H 1 8.097 0.030 . 1 . . . . 78 ALA H . 10066 1 882 . 1 1 78 78 ALA HA H 1 4.237 0.030 . 1 . . . . 78 ALA HA . 10066 1 883 . 1 1 78 78 ALA HB1 H 1 1.611 0.030 . 1 . . . . 78 ALA HB . 10066 1 884 . 1 1 78 78 ALA HB2 H 1 1.611 0.030 . 1 . . . . 78 ALA HB . 10066 1 885 . 1 1 78 78 ALA HB3 H 1 1.611 0.030 . 1 . . . . 78 ALA HB . 10066 1 886 . 1 1 78 78 ALA C C 13 182.113 0.300 . 1 . . . . 78 ALA C . 10066 1 887 . 1 1 78 78 ALA CA C 13 55.395 0.300 . 1 . . . . 78 ALA CA . 10066 1 888 . 1 1 78 78 ALA CB C 13 18.321 0.300 . 1 . . . . 78 ALA CB . 10066 1 889 . 1 1 78 78 ALA N N 15 121.360 0.300 . 1 . . . . 78 ALA N . 10066 1 890 . 1 1 79 79 GLU H H 1 9.118 0.030 . 1 . . . . 79 GLU H . 10066 1 891 . 1 1 79 79 GLU HA H 1 4.002 0.030 . 1 . . . . 79 GLU HA . 10066 1 892 . 1 1 79 79 GLU HB2 H 1 2.074 0.030 . 1 . . . . 79 GLU HB2 . 10066 1 893 . 1 1 79 79 GLU HB3 H 1 2.074 0.030 . 1 . . . . 79 GLU HB3 . 10066 1 894 . 1 1 79 79 GLU HG2 H 1 2.468 0.030 . 2 . . . . 79 GLU HG2 . 10066 1 895 . 1 1 79 79 GLU HG3 H 1 2.348 0.030 . 2 . . . . 79 GLU HG3 . 10066 1 896 . 1 1 79 79 GLU C C 13 179.205 0.300 . 1 . . . . 79 GLU C . 10066 1 897 . 1 1 79 79 GLU CA C 13 59.347 0.300 . 1 . . . . 79 GLU CA . 10066 1 898 . 1 1 79 79 GLU CB C 13 29.142 0.300 . 1 . . . . 79 GLU CB . 10066 1 899 . 1 1 79 79 GLU CG C 13 36.901 0.300 . 1 . . . . 79 GLU CG . 10066 1 900 . 1 1 79 79 GLU N N 15 119.034 0.300 . 1 . . . . 79 GLU N . 10066 1 901 . 1 1 80 80 ALA H H 1 8.003 0.030 . 1 . . . . 80 ALA H . 10066 1 902 . 1 1 80 80 ALA HA H 1 4.160 0.030 . 1 . . . . 80 ALA HA . 10066 1 903 . 1 1 80 80 ALA HB1 H 1 1.452 0.030 . 1 . . . . 80 ALA HB . 10066 1 904 . 1 1 80 80 ALA HB2 H 1 1.452 0.030 . 1 . . . . 80 ALA HB . 10066 1 905 . 1 1 80 80 ALA HB3 H 1 1.452 0.030 . 1 . . . . 80 ALA HB . 10066 1 906 . 1 1 80 80 ALA C C 13 180.368 0.300 . 1 . . . . 80 ALA C . 10066 1 907 . 1 1 80 80 ALA CA C 13 54.357 0.300 . 1 . . . . 80 ALA CA . 10066 1 908 . 1 1 80 80 ALA CB C 13 17.746 0.300 . 1 . . . . 80 ALA CB . 10066 1 909 . 1 1 80 80 ALA N N 15 122.292 0.300 . 1 . . . . 80 ALA N . 10066 1 910 . 1 1 81 81 PHE H H 1 8.237 0.030 . 1 . . . . 81 PHE H . 10066 1 911 . 1 1 81 81 PHE HA H 1 4.095 0.030 . 1 . . . . 81 PHE HA . 10066 1 912 . 1 1 81 81 PHE HB2 H 1 3.373 0.030 . 2 . . . . 81 PHE HB2 . 10066 1 913 . 1 1 81 81 PHE HB3 H 1 3.155 0.030 . 2 . . . . 81 PHE HB3 . 10066 1 914 . 1 1 81 81 PHE HD1 H 1 7.223 0.030 . 1 . . . . 81 PHE HD1 . 10066 1 915 . 1 1 81 81 PHE HD2 H 1 7.223 0.030 . 1 . . . . 81 PHE HD2 . 10066 1 916 . 1 1 81 81 PHE HE1 H 1 7.266 0.030 . 1 . . . . 81 PHE HE1 . 10066 1 917 . 1 1 81 81 PHE HE2 H 1 7.266 0.030 . 1 . . . . 81 PHE HE2 . 10066 1 918 . 1 1 81 81 PHE HZ H 1 7.257 0.030 . 1 . . . . 81 PHE HZ . 10066 1 919 . 1 1 81 81 PHE C C 13 176.468 0.300 . 1 . . . . 81 PHE C . 10066 1 920 . 1 1 81 81 PHE CA C 13 61.769 0.300 . 1 . . . . 81 PHE CA . 10066 1 921 . 1 1 81 81 PHE CB C 13 39.288 0.300 . 1 . . . . 81 PHE CB . 10066 1 922 . 1 1 81 81 PHE CD1 C 13 131.888 0.300 . 1 . . . . 81 PHE CD1 . 10066 1 923 . 1 1 81 81 PHE CD2 C 13 131.888 0.300 . 1 . . . . 81 PHE CD2 . 10066 1 924 . 1 1 81 81 PHE CE1 C 13 131.347 0.300 . 1 . . . . 81 PHE CE1 . 10066 1 925 . 1 1 81 81 PHE CE2 C 13 131.347 0.300 . 1 . . . . 81 PHE CE2 . 10066 1 926 . 1 1 81 81 PHE CZ C 13 130.167 0.300 . 1 . . . . 81 PHE CZ . 10066 1 927 . 1 1 81 81 PHE N N 15 118.735 0.300 . 1 . . . . 81 PHE N . 10066 1 928 . 1 1 82 82 LYS H H 1 8.012 0.030 . 1 . . . . 82 LYS H . 10066 1 929 . 1 1 82 82 LYS HA H 1 4.000 0.030 . 1 . . . . 82 LYS HA . 10066 1 930 . 1 1 82 82 LYS HB2 H 1 1.945 0.030 . 1 . . . . 82 LYS HB2 . 10066 1 931 . 1 1 82 82 LYS HB3 H 1 1.945 0.030 . 1 . . . . 82 LYS HB3 . 10066 1 932 . 1 1 82 82 LYS HG2 H 1 1.647 0.030 . 1 . . . . 82 LYS HG2 . 10066 1 933 . 1 1 82 82 LYS HG3 H 1 1.647 0.030 . 1 . . . . 82 LYS HG3 . 10066 1 934 . 1 1 82 82 LYS HD2 H 1 1.752 0.030 . 1 . . . . 82 LYS HD2 . 10066 1 935 . 1 1 82 82 LYS HD3 H 1 1.752 0.030 . 1 . . . . 82 LYS HD3 . 10066 1 936 . 1 1 82 82 LYS HE2 H 1 3.026 0.030 . 1 . . . . 82 LYS HE2 . 10066 1 937 . 1 1 82 82 LYS HE3 H 1 3.026 0.030 . 1 . . . . 82 LYS HE3 . 10066 1 938 . 1 1 82 82 LYS C C 13 177.388 0.300 . 1 . . . . 82 LYS C . 10066 1 939 . 1 1 82 82 LYS CA C 13 57.766 0.300 . 1 . . . . 82 LYS CA . 10066 1 940 . 1 1 82 82 LYS CB C 13 33.407 0.300 . 1 . . . . 82 LYS CB . 10066 1 941 . 1 1 82 82 LYS CG C 13 25.113 0.300 . 1 . . . . 82 LYS CG . 10066 1 942 . 1 1 82 82 LYS CD C 13 29.398 0.300 . 1 . . . . 82 LYS CD . 10066 1 943 . 1 1 82 82 LYS CE C 13 42.001 0.300 . 1 . . . . 82 LYS CE . 10066 1 944 . 1 1 82 82 LYS N N 15 118.532 0.300 . 1 . . . . 82 LYS N . 10066 1 945 . 1 1 83 83 THR H H 1 7.392 0.030 . 1 . . . . 83 THR H . 10066 1 946 . 1 1 83 83 THR HA H 1 4.103 0.030 . 1 . . . . 83 THR HA . 10066 1 947 . 1 1 83 83 THR HB H 1 4.324 0.030 . 1 . . . . 83 THR HB . 10066 1 948 . 1 1 83 83 THR HG21 H 1 1.317 0.030 . 1 . . . . 83 THR HG2 . 10066 1 949 . 1 1 83 83 THR HG22 H 1 1.317 0.030 . 1 . . . . 83 THR HG2 . 10066 1 950 . 1 1 83 83 THR HG23 H 1 1.317 0.030 . 1 . . . . 83 THR HG2 . 10066 1 951 . 1 1 83 83 THR C C 13 174.360 0.300 . 1 . . . . 83 THR C . 10066 1 952 . 1 1 83 83 THR CA C 13 62.862 0.300 . 1 . . . . 83 THR CA . 10066 1 953 . 1 1 83 83 THR CB C 13 68.970 0.300 . 1 . . . . 83 THR CB . 10066 1 954 . 1 1 83 83 THR CG2 C 13 21.336 0.300 . 1 . . . . 83 THR CG2 . 10066 1 955 . 1 1 83 83 THR N N 15 112.689 0.300 . 1 . . . . 83 THR N . 10066 1 956 . 1 1 84 84 LYS H H 1 8.521 0.030 . 1 . . . . 84 LYS H . 10066 1 957 . 1 1 84 84 LYS HA H 1 4.298 0.030 . 1 . . . . 84 LYS HA . 10066 1 958 . 1 1 84 84 LYS HB2 H 1 1.943 0.030 . 2 . . . . 84 LYS HB2 . 10066 1 959 . 1 1 84 84 LYS HB3 H 1 1.717 0.030 . 2 . . . . 84 LYS HB3 . 10066 1 960 . 1 1 84 84 LYS HG2 H 1 1.520 0.030 . 2 . . . . 84 LYS HG2 . 10066 1 961 . 1 1 84 84 LYS HG3 H 1 1.451 0.030 . 2 . . . . 84 LYS HG3 . 10066 1 962 . 1 1 84 84 LYS HD2 H 1 1.675 0.030 . 1 . . . . 84 LYS HD2 . 10066 1 963 . 1 1 84 84 LYS HD3 H 1 1.675 0.030 . 1 . . . . 84 LYS HD3 . 10066 1 964 . 1 1 84 84 LYS HE2 H 1 3.014 0.030 . 1 . . . . 84 LYS HE2 . 10066 1 965 . 1 1 84 84 LYS HE3 H 1 3.014 0.030 . 1 . . . . 84 LYS HE3 . 10066 1 966 . 1 1 84 84 LYS C C 13 177.679 0.300 . 1 . . . . 84 LYS C . 10066 1 967 . 1 1 84 84 LYS CA C 13 56.232 0.300 . 1 . . . . 84 LYS CA . 10066 1 968 . 1 1 84 84 LYS CB C 13 32.316 0.300 . 1 . . . . 84 LYS CB . 10066 1 969 . 1 1 84 84 LYS CG C 13 24.927 0.300 . 1 . . . . 84 LYS CG . 10066 1 970 . 1 1 84 84 LYS CD C 13 28.857 0.300 . 1 . . . . 84 LYS CD . 10066 1 971 . 1 1 84 84 LYS CE C 13 42.032 0.300 . 1 . . . . 84 LYS CE . 10066 1 972 . 1 1 84 84 LYS N N 15 122.845 0.300 . 1 . . . . 84 LYS N . 10066 1 973 . 1 1 85 85 ASP H H 1 8.337 0.030 . 1 . . . . 85 ASP H . 10066 1 974 . 1 1 85 85 ASP HA H 1 4.303 0.030 . 1 . . . . 85 ASP HA . 10066 1 975 . 1 1 85 85 ASP HB2 H 1 2.630 0.030 . 1 . . . . 85 ASP HB2 . 10066 1 976 . 1 1 85 85 ASP HB3 H 1 2.630 0.030 . 1 . . . . 85 ASP HB3 . 10066 1 977 . 1 1 85 85 ASP C C 13 175.232 0.300 . 1 . . . . 85 ASP C . 10066 1 978 . 1 1 85 85 ASP CA C 13 55.658 0.300 . 1 . . . . 85 ASP CA . 10066 1 979 . 1 1 85 85 ASP CB C 13 40.521 0.300 . 1 . . . . 85 ASP CB . 10066 1 980 . 1 1 85 85 ASP N N 15 118.791 0.300 . 1 . . . . 85 ASP N . 10066 1 981 . 1 1 86 86 ARG H H 1 7.003 0.030 . 1 . . . . 86 ARG H . 10066 1 982 . 1 1 86 86 ARG HA H 1 4.551 0.030 . 1 . . . . 86 ARG HA . 10066 1 983 . 1 1 86 86 ARG HB2 H 1 1.339 0.030 . 2 . . . . 86 ARG HB2 . 10066 1 984 . 1 1 86 86 ARG HB3 H 1 1.301 0.030 . 2 . . . . 86 ARG HB3 . 10066 1 985 . 1 1 86 86 ARG HG2 H 1 1.274 0.030 . 1 . . . . 86 ARG HG2 . 10066 1 986 . 1 1 86 86 ARG HG3 H 1 1.274 0.030 . 1 . . . . 86 ARG HG3 . 10066 1 987 . 1 1 86 86 ARG HD2 H 1 2.796 0.030 . 2 . . . . 86 ARG HD2 . 10066 1 988 . 1 1 86 86 ARG HD3 H 1 2.535 0.030 . 2 . . . . 86 ARG HD3 . 10066 1 989 . 1 1 86 86 ARG C C 13 175.353 0.300 . 1 . . . . 86 ARG C . 10066 1 990 . 1 1 86 86 ARG CA C 13 54.516 0.300 . 1 . . . . 86 ARG CA . 10066 1 991 . 1 1 86 86 ARG CB C 13 33.441 0.300 . 1 . . . . 86 ARG CB . 10066 1 992 . 1 1 86 86 ARG CG C 13 25.973 0.300 . 1 . . . . 86 ARG CG . 10066 1 993 . 1 1 86 86 ARG CD C 13 42.909 0.300 . 1 . . . . 86 ARG CD . 10066 1 994 . 1 1 86 86 ARG N N 15 113.533 0.300 . 1 . . . . 86 ARG N . 10066 1 995 . 1 1 87 87 ASP HA H 1 4.758 0.030 . 1 . . . . 87 ASP HA . 10066 1 996 . 1 1 87 87 ASP HB2 H 1 3.003 0.030 . 2 . . . . 87 ASP HB2 . 10066 1 997 . 1 1 87 87 ASP HB3 H 1 2.645 0.030 . 2 . . . . 87 ASP HB3 . 10066 1 998 . 1 1 87 87 ASP C C 13 174.069 0.300 . 1 . . . . 87 ASP C . 10066 1 999 . 1 1 87 87 ASP CA C 13 53.303 0.300 . 1 . . . . 87 ASP CA . 10066 1 1000 . 1 1 87 87 ASP CB C 13 39.958 0.300 . 1 . . . . 87 ASP CB . 10066 1 1001 . 1 1 88 88 TYR H H 1 6.725 0.030 . 1 . . . . 88 TYR H . 10066 1 1002 . 1 1 88 88 TYR HA H 1 5.479 0.030 . 1 . . . . 88 TYR HA . 10066 1 1003 . 1 1 88 88 TYR HB2 H 1 2.830 0.030 . 2 . . . . 88 TYR HB2 . 10066 1 1004 . 1 1 88 88 TYR HB3 H 1 2.620 0.030 . 2 . . . . 88 TYR HB3 . 10066 1 1005 . 1 1 88 88 TYR HD1 H 1 6.920 0.030 . 1 . . . . 88 TYR HD1 . 10066 1 1006 . 1 1 88 88 TYR HD2 H 1 6.920 0.030 . 1 . . . . 88 TYR HD2 . 10066 1 1007 . 1 1 88 88 TYR HE1 H 1 6.784 0.030 . 1 . . . . 88 TYR HE1 . 10066 1 1008 . 1 1 88 88 TYR HE2 H 1 6.784 0.030 . 1 . . . . 88 TYR HE2 . 10066 1 1009 . 1 1 88 88 TYR C C 13 173.221 0.300 . 1 . . . . 88 TYR C . 10066 1 1010 . 1 1 88 88 TYR CA C 13 55.203 0.300 . 1 . . . . 88 TYR CA . 10066 1 1011 . 1 1 88 88 TYR CB C 13 41.284 0.300 . 1 . . . . 88 TYR CB . 10066 1 1012 . 1 1 88 88 TYR CD1 C 13 133.871 0.300 . 1 . . . . 88 TYR CD1 . 10066 1 1013 . 1 1 88 88 TYR CD2 C 13 133.871 0.300 . 1 . . . . 88 TYR CD2 . 10066 1 1014 . 1 1 88 88 TYR CE1 C 13 118.107 0.300 . 1 . . . . 88 TYR CE1 . 10066 1 1015 . 1 1 88 88 TYR CE2 C 13 118.107 0.300 . 1 . . . . 88 TYR CE2 . 10066 1 1016 . 1 1 88 88 TYR N N 15 113.397 0.300 . 1 . . . . 88 TYR N . 10066 1 1017 . 1 1 89 89 ILE H H 1 8.991 0.030 . 1 . . . . 89 ILE H . 10066 1 1018 . 1 1 89 89 ILE HA H 1 4.258 0.030 . 1 . . . . 89 ILE HA . 10066 1 1019 . 1 1 89 89 ILE HB H 1 1.471 0.030 . 1 . . . . 89 ILE HB . 10066 1 1020 . 1 1 89 89 ILE HG12 H 1 1.386 0.030 . 2 . . . . 89 ILE HG12 . 10066 1 1021 . 1 1 89 89 ILE HG13 H 1 0.666 0.030 . 2 . . . . 89 ILE HG13 . 10066 1 1022 . 1 1 89 89 ILE HG21 H 1 0.387 0.030 . 1 . . . . 89 ILE HG2 . 10066 1 1023 . 1 1 89 89 ILE HG22 H 1 0.387 0.030 . 1 . . . . 89 ILE HG2 . 10066 1 1024 . 1 1 89 89 ILE HG23 H 1 0.387 0.030 . 1 . . . . 89 ILE HG2 . 10066 1 1025 . 1 1 89 89 ILE HD11 H 1 0.993 0.030 . 1 . . . . 89 ILE HD1 . 10066 1 1026 . 1 1 89 89 ILE HD12 H 1 0.993 0.030 . 1 . . . . 89 ILE HD1 . 10066 1 1027 . 1 1 89 89 ILE HD13 H 1 0.993 0.030 . 1 . . . . 89 ILE HD1 . 10066 1 1028 . 1 1 89 89 ILE C C 13 173.391 0.300 . 1 . . . . 89 ILE C . 10066 1 1029 . 1 1 89 89 ILE CA C 13 60.858 0.300 . 1 . . . . 89 ILE CA . 10066 1 1030 . 1 1 89 89 ILE CB C 13 42.714 0.300 . 1 . . . . 89 ILE CB . 10066 1 1031 . 1 1 89 89 ILE CG1 C 13 27.187 0.300 . 1 . . . . 89 ILE CG1 . 10066 1 1032 . 1 1 89 89 ILE CG2 C 13 17.499 0.300 . 1 . . . . 89 ILE CG2 . 10066 1 1033 . 1 1 89 89 ILE CD1 C 13 16.322 0.300 . 1 . . . . 89 ILE CD1 . 10066 1 1034 . 1 1 89 89 ILE N N 15 119.392 0.300 . 1 . . . . 89 ILE N . 10066 1 1035 . 1 1 90 90 ASP H H 1 8.579 0.030 . 1 . . . . 90 ASP H . 10066 1 1036 . 1 1 90 90 ASP HA H 1 5.592 0.030 . 1 . . . . 90 ASP HA . 10066 1 1037 . 1 1 90 90 ASP HB2 H 1 2.734 0.030 . 2 . . . . 90 ASP HB2 . 10066 1 1038 . 1 1 90 90 ASP HB3 H 1 2.355 0.030 . 2 . . . . 90 ASP HB3 . 10066 1 1039 . 1 1 90 90 ASP C C 13 175.716 0.300 . 1 . . . . 90 ASP C . 10066 1 1040 . 1 1 90 90 ASP CA C 13 53.373 0.300 . 1 . . . . 90 ASP CA . 10066 1 1041 . 1 1 90 90 ASP CB C 13 42.121 0.300 . 1 . . . . 90 ASP CB . 10066 1 1042 . 1 1 90 90 ASP N N 15 127.517 0.300 . 1 . . . . 90 ASP N . 10066 1 1043 . 1 1 91 91 PHE H H 1 9.434 0.030 . 1 . . . . 91 PHE H . 10066 1 1044 . 1 1 91 91 PHE HA H 1 5.215 0.030 . 1 . . . . 91 PHE HA . 10066 1 1045 . 1 1 91 91 PHE HB2 H 1 2.991 0.030 . 2 . . . . 91 PHE HB2 . 10066 1 1046 . 1 1 91 91 PHE HB3 H 1 2.804 0.030 . 2 . . . . 91 PHE HB3 . 10066 1 1047 . 1 1 91 91 PHE HD1 H 1 7.278 0.030 . 1 . . . . 91 PHE HD1 . 10066 1 1048 . 1 1 91 91 PHE HD2 H 1 7.278 0.030 . 1 . . . . 91 PHE HD2 . 10066 1 1049 . 1 1 91 91 PHE HE1 H 1 7.053 0.030 . 1 . . . . 91 PHE HE1 . 10066 1 1050 . 1 1 91 91 PHE HE2 H 1 7.053 0.030 . 1 . . . . 91 PHE HE2 . 10066 1 1051 . 1 1 91 91 PHE HZ H 1 7.087 0.030 . 1 . . . . 91 PHE HZ . 10066 1 1052 . 1 1 91 91 PHE C C 13 173.778 0.300 . 1 . . . . 91 PHE C . 10066 1 1053 . 1 1 91 91 PHE CA C 13 56.536 0.300 . 1 . . . . 91 PHE CA . 10066 1 1054 . 1 1 91 91 PHE CB C 13 42.330 0.300 . 1 . . . . 91 PHE CB . 10066 1 1055 . 1 1 91 91 PHE CD1 C 13 132.246 0.300 . 1 . . . . 91 PHE CD1 . 10066 1 1056 . 1 1 91 91 PHE CD2 C 13 132.246 0.300 . 1 . . . . 91 PHE CD2 . 10066 1 1057 . 1 1 91 91 PHE CE1 C 13 129.832 0.300 . 1 . . . . 91 PHE CE1 . 10066 1 1058 . 1 1 91 91 PHE CE2 C 13 129.832 0.300 . 1 . . . . 91 PHE CE2 . 10066 1 1059 . 1 1 91 91 PHE CZ C 13 128.417 0.300 . 1 . . . . 91 PHE CZ . 10066 1 1060 . 1 1 91 91 PHE N N 15 123.454 0.300 . 1 . . . . 91 PHE N . 10066 1 1061 . 1 1 92 92 LEU H H 1 8.619 0.030 . 1 . . . . 92 LEU H . 10066 1 1062 . 1 1 92 92 LEU HA H 1 5.144 0.030 . 1 . . . . 92 LEU HA . 10066 1 1063 . 1 1 92 92 LEU HB2 H 1 1.875 0.030 . 2 . . . . 92 LEU HB2 . 10066 1 1064 . 1 1 92 92 LEU HB3 H 1 1.394 0.030 . 2 . . . . 92 LEU HB3 . 10066 1 1065 . 1 1 92 92 LEU HG H 1 1.240 0.030 . 1 . . . . 92 LEU HG . 10066 1 1066 . 1 1 92 92 LEU HD11 H 1 0.799 0.030 . 1 . . . . 92 LEU HD1 . 10066 1 1067 . 1 1 92 92 LEU HD12 H 1 0.799 0.030 . 1 . . . . 92 LEU HD1 . 10066 1 1068 . 1 1 92 92 LEU HD13 H 1 0.799 0.030 . 1 . . . . 92 LEU HD1 . 10066 1 1069 . 1 1 92 92 LEU HD21 H 1 0.726 0.030 . 1 . . . . 92 LEU HD2 . 10066 1 1070 . 1 1 92 92 LEU HD22 H 1 0.726 0.030 . 1 . . . . 92 LEU HD2 . 10066 1 1071 . 1 1 92 92 LEU HD23 H 1 0.726 0.030 . 1 . . . . 92 LEU HD2 . 10066 1 1072 . 1 1 92 92 LEU C C 13 176.153 0.300 . 1 . . . . 92 LEU C . 10066 1 1073 . 1 1 92 92 LEU CA C 13 54.146 0.300 . 1 . . . . 92 LEU CA . 10066 1 1074 . 1 1 92 92 LEU CB C 13 43.979 0.300 . 1 . . . . 92 LEU CB . 10066 1 1075 . 1 1 92 92 LEU CG C 13 27.819 0.300 . 1 . . . . 92 LEU CG . 10066 1 1076 . 1 1 92 92 LEU CD1 C 13 25.639 0.300 . 2 . . . . 92 LEU CD1 . 10066 1 1077 . 1 1 92 92 LEU CD2 C 13 22.706 0.300 . 2 . . . . 92 LEU CD2 . 10066 1 1078 . 1 1 92 92 LEU N N 15 126.352 0.300 . 1 . . . . 92 LEU N . 10066 1 1079 . 1 1 93 93 VAL H H 1 8.982 0.030 . 1 . . . . 93 VAL H . 10066 1 1080 . 1 1 93 93 VAL HA H 1 5.823 0.030 . 1 . . . . 93 VAL HA . 10066 1 1081 . 1 1 93 93 VAL HB H 1 1.782 0.030 . 1 . . . . 93 VAL HB . 10066 1 1082 . 1 1 93 93 VAL HG11 H 1 0.619 0.030 . 1 . . . . 93 VAL HG1 . 10066 1 1083 . 1 1 93 93 VAL HG12 H 1 0.619 0.030 . 1 . . . . 93 VAL HG1 . 10066 1 1084 . 1 1 93 93 VAL HG13 H 1 0.619 0.030 . 1 . . . . 93 VAL HG1 . 10066 1 1085 . 1 1 93 93 VAL HG21 H 1 0.196 0.030 . 1 . . . . 93 VAL HG2 . 10066 1 1086 . 1 1 93 93 VAL HG22 H 1 0.196 0.030 . 1 . . . . 93 VAL HG2 . 10066 1 1087 . 1 1 93 93 VAL HG23 H 1 0.196 0.030 . 1 . . . . 93 VAL HG2 . 10066 1 1088 . 1 1 93 93 VAL C C 13 175.232 0.300 . 1 . . . . 93 VAL C . 10066 1 1089 . 1 1 93 93 VAL CA C 13 58.346 0.300 . 1 . . . . 93 VAL CA . 10066 1 1090 . 1 1 93 93 VAL CB C 13 36.257 0.300 . 1 . . . . 93 VAL CB . 10066 1 1091 . 1 1 93 93 VAL CG1 C 13 21.691 0.300 . 2 . . . . 93 VAL CG1 . 10066 1 1092 . 1 1 93 93 VAL CG2 C 13 17.064 0.300 . 2 . . . . 93 VAL CG2 . 10066 1 1093 . 1 1 93 93 VAL N N 15 119.392 0.300 . 1 . . . . 93 VAL N . 10066 1 1094 . 1 1 94 94 THR H H 1 8.858 0.030 . 1 . . . . 94 THR H . 10066 1 1095 . 1 1 94 94 THR HA H 1 4.874 0.030 . 1 . . . . 94 THR HA . 10066 1 1096 . 1 1 94 94 THR HB H 1 4.097 0.030 . 1 . . . . 94 THR HB . 10066 1 1097 . 1 1 94 94 THR HG21 H 1 1.069 0.030 . 1 . . . . 94 THR HG2 . 10066 1 1098 . 1 1 94 94 THR HG22 H 1 1.069 0.030 . 1 . . . . 94 THR HG2 . 10066 1 1099 . 1 1 94 94 THR HG23 H 1 1.069 0.030 . 1 . . . . 94 THR HG2 . 10066 1 1100 . 1 1 94 94 THR C C 13 172.736 0.300 . 1 . . . . 94 THR C . 10066 1 1101 . 1 1 94 94 THR CA C 13 59.769 0.300 . 1 . . . . 94 THR CA . 10066 1 1102 . 1 1 94 94 THR CB C 13 70.591 0.300 . 1 . . . . 94 THR CB . 10066 1 1103 . 1 1 94 94 THR CG2 C 13 19.801 0.300 . 1 . . . . 94 THR CG2 . 10066 1 1104 . 1 1 94 94 THR N N 15 113.202 0.300 . 1 . . . . 94 THR N . 10066 1 1105 . 1 1 95 95 GLU H H 1 8.344 0.030 . 1 . . . . 95 GLU H . 10066 1 1106 . 1 1 95 95 GLU HA H 1 4.665 0.030 . 1 . . . . 95 GLU HA . 10066 1 1107 . 1 1 95 95 GLU HB2 H 1 2.071 0.030 . 2 . . . . 95 GLU HB2 . 10066 1 1108 . 1 1 95 95 GLU HB3 H 1 1.899 0.030 . 2 . . . . 95 GLU HB3 . 10066 1 1109 . 1 1 95 95 GLU HG2 H 1 2.261 0.030 . 2 . . . . 95 GLU HG2 . 10066 1 1110 . 1 1 95 95 GLU HG3 H 1 2.177 0.030 . 2 . . . . 95 GLU HG3 . 10066 1 1111 . 1 1 95 95 GLU C C 13 175.983 0.300 . 1 . . . . 95 GLU C . 10066 1 1112 . 1 1 95 95 GLU CA C 13 56.185 0.300 . 1 . . . . 95 GLU CA . 10066 1 1113 . 1 1 95 95 GLU CB C 13 31.530 0.300 . 1 . . . . 95 GLU CB . 10066 1 1114 . 1 1 95 95 GLU CG C 13 36.821 0.300 . 1 . . . . 95 GLU CG . 10066 1 1115 . 1 1 95 95 GLU N N 15 121.829 0.300 . 1 . . . . 95 GLU N . 10066 1 1116 . 1 1 96 96 PHE H H 1 8.687 0.030 . 1 . . . . 96 PHE H . 10066 1 1117 . 1 1 96 96 PHE HA H 1 4.663 0.030 . 1 . . . . 96 PHE HA . 10066 1 1118 . 1 1 96 96 PHE HB2 H 1 3.135 0.030 . 2 . . . . 96 PHE HB2 . 10066 1 1119 . 1 1 96 96 PHE HB3 H 1 3.058 0.030 . 2 . . . . 96 PHE HB3 . 10066 1 1120 . 1 1 96 96 PHE HD1 H 1 7.234 0.030 . 1 . . . . 96 PHE HD1 . 10066 1 1121 . 1 1 96 96 PHE HD2 H 1 7.234 0.030 . 1 . . . . 96 PHE HD2 . 10066 1 1122 . 1 1 96 96 PHE HE1 H 1 7.350 0.030 . 1 . . . . 96 PHE HE1 . 10066 1 1123 . 1 1 96 96 PHE HE2 H 1 7.350 0.030 . 1 . . . . 96 PHE HE2 . 10066 1 1124 . 1 1 96 96 PHE HZ H 1 7.303 0.030 . 1 . . . . 96 PHE HZ . 10066 1 1125 . 1 1 96 96 PHE C C 13 175.062 0.300 . 1 . . . . 96 PHE C . 10066 1 1126 . 1 1 96 96 PHE CA C 13 57.823 0.300 . 1 . . . . 96 PHE CA . 10066 1 1127 . 1 1 96 96 PHE CB C 13 39.962 0.300 . 1 . . . . 96 PHE CB . 10066 1 1128 . 1 1 96 96 PHE CD1 C 13 131.624 0.300 . 1 . . . . 96 PHE CD1 . 10066 1 1129 . 1 1 96 96 PHE CD2 C 13 131.624 0.300 . 1 . . . . 96 PHE CD2 . 10066 1 1130 . 1 1 96 96 PHE CE1 C 13 131.593 0.300 . 1 . . . . 96 PHE CE1 . 10066 1 1131 . 1 1 96 96 PHE CE2 C 13 131.593 0.300 . 1 . . . . 96 PHE CE2 . 10066 1 1132 . 1 1 96 96 PHE CZ C 13 129.912 0.300 . 1 . . . . 96 PHE CZ . 10066 1 1133 . 1 1 96 96 PHE N N 15 122.382 0.300 . 1 . . . . 96 PHE N . 10066 1 1134 . 1 1 97 97 ASN HA H 1 4.717 0.030 . 1 . . . . 97 ASN HA . 10066 1 1135 . 1 1 97 97 ASN HB2 H 1 2.793 0.030 . 2 . . . . 97 ASN HB2 . 10066 1 1136 . 1 1 97 97 ASN HB3 H 1 2.665 0.030 . 2 . . . . 97 ASN HB3 . 10066 1 1137 . 1 1 97 97 ASN HD21 H 1 7.573 0.030 . 2 . . . . 97 ASN HD21 . 10066 1 1138 . 1 1 97 97 ASN HD22 H 1 6.956 0.030 . 2 . . . . 97 ASN HD22 . 10066 1 1139 . 1 1 97 97 ASN CA C 13 53.089 0.300 . 1 . . . . 97 ASN CA . 10066 1 1140 . 1 1 97 97 ASN CB C 13 39.285 0.300 . 1 . . . . 97 ASN CB . 10066 1 1141 . 1 1 97 97 ASN ND2 N 15 112.834 0.300 . 1 . . . . 97 ASN ND2 . 10066 1 1142 . 1 1 99 99 GLY HA2 H 1 4.125 0.030 . 1 . . . . 99 GLY HA2 . 10066 1 1143 . 1 1 99 99 GLY HA3 H 1 4.125 0.030 . 1 . . . . 99 GLY HA3 . 10066 1 1144 . 1 1 100 100 PRO HA H 1 4.480 0.030 . 1 . . . . 100 PRO HA . 10066 1 1145 . 1 1 100 100 PRO HB2 H 1 2.302 0.030 . 2 . . . . 100 PRO HB2 . 10066 1 1146 . 1 1 100 100 PRO HB3 H 1 1.988 0.030 . 2 . . . . 100 PRO HB3 . 10066 1 1147 . 1 1 100 100 PRO HG2 H 1 2.023 0.030 . 1 . . . . 100 PRO HG2 . 10066 1 1148 . 1 1 100 100 PRO HG3 H 1 2.023 0.030 . 1 . . . . 100 PRO HG3 . 10066 1 1149 . 1 1 100 100 PRO HD2 H 1 3.639 0.030 . 1 . . . . 100 PRO HD2 . 10066 1 1150 . 1 1 100 100 PRO HD3 H 1 3.639 0.030 . 1 . . . . 100 PRO HD3 . 10066 1 1151 . 1 1 100 100 PRO CA C 13 63.372 0.300 . 1 . . . . 100 PRO CA . 10066 1 1152 . 1 1 100 100 PRO CB C 13 32.224 0.300 . 1 . . . . 100 PRO CB . 10066 1 1153 . 1 1 100 100 PRO CG C 13 27.261 0.300 . 1 . . . . 100 PRO CG . 10066 1 1154 . 1 1 100 100 PRO CD C 13 49.842 0.300 . 1 . . . . 100 PRO CD . 10066 1 stop_ save_