data_17276 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17276 _Entry.Title ; Unbound TbRI-ED ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-02 _Entry.Accession_date 2010-11-02 _Entry.Last_release_date 2011-10-28 _Entry.Original_release_date 2011-10-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jorge Zuniga . E. . 17276 2 Udayar Ilangovan . . . 17276 3 Mahlawat Pardeep . . . 17276 4 Cynthia Hinck . . . 17276 5 Tao Huang . . . 17276 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17276 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 17276 '15N chemical shifts' 85 17276 '1H chemical shifts' 529 17276 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 . . 2011-10-28 2010-11-02 original author . 17276 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17276 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21821041 _Citation.Full_citation . _Citation.Title 'The TR-I pre-helix extension is structurally ordered in the unbound form and its flanking prolines are essential for binding.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 412 _Citation.Journal_issue 4 _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 601 _Citation.Page_last 618 _Citation.Year 2011 _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 Jorge Zuniga . E. . 17276 1 2 Udayar Ilangovan . . . 17276 1 3 Pardeep Mahlawat . . . 17276 1 4 Cynthia Hinck . S. . 17276 1 5 Tao Huang . . . 17276 1 6 Jay Groppe . C. . 17276 1 7 Donald McEwen . G. . 17276 1 8 Andrew Hinck . P. . 17276 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17276 _Assembly.ID 1 _Assembly.Name 'unbound Alk5 ectodomain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'unbound Alk5 ectodomain' 1 $TbRI A . yes native no no . . . 17276 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 10 10 SG . 1 . 1 CYS 13 13 SG 1 . 14 CYS SG 1 . 17 CYS SG 17276 1 2 disulfide single . 1 . 1 CYS 20 20 SG . 1 . 1 CYS 43 43 SG 1 . 24 CYS SG 1 . 47 CYS SG 17276 1 3 disulfide single . 1 . 1 CYS 8 8 SG . 1 . 1 CYS 26 26 SG 1 . 12 CYS SG 1 . 30 CYS SG 17276 1 4 disulfide single . 1 . 1 CYS 58 58 SG . 1 . 1 CYS 72 72 SG 1 . 62 CYS SG 1 . 76 CYS SG 17276 1 5 disulfide single . 1 . 1 CYS 73 73 SG . 1 . 1 CYS 78 78 SG 1 . 77 CYS SG 1 . 82 CYS SG 17276 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TbRI _Entity.Sf_category entity _Entity.Sf_framecode TbRI _Entity.Entry_ID 17276 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TbRI _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 ; GSATALQCFCHLCTKDNFTC VTDGLCFVSVTETTDKVIHN SMCIAEIDLIPRDRPFVCAP SSKTGSVTTTYCCNQDHCNK IELPTTV ; _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9465.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2L5S . "Solution Structure Of The Extracellular Domain Of The Tgf-Beta Type I Receptor" . . . . . 100.00 88 100.00 100.00 7.37e-55 . . . . 17276 1 2 no PDB 2PJY . "Structural Basis For Cooperative Assembly Of The Tgf-Beta Signaling Complex" . . . . . 90.80 79 98.73 98.73 3.86e-48 . . . . 17276 1 3 no PDB 3KFD . "Ternary Complex Of Tgf-B1 Reveals Isoform-Specific Ligand Re And Receptor Recruitment In The Superfamily" . . . . . 97.70 85 100.00 100.00 2.87e-53 . . . . 17276 1 4 no DBJ BAD91020 . "transforming growth factor, beta receptor 1 [Sus scrofa]" . . . . . 96.55 499 97.62 97.62 4.67e-50 . . . . 17276 1 5 no DBJ BAD91021 . "transforming growth factor, beta receptor 1 [Sus scrofa]" . . . . . 96.55 503 97.62 97.62 5.98e-50 . . . . 17276 1 6 no DBJ BAD91022 . "transforming growth factor, beta receptor 1 [Sus scrofa]" . . . . . 96.55 499 97.62 97.62 4.57e-50 . . . . 17276 1 7 no DBJ BAD91023 . "transforming growth factor, beta receptor 1 [Sus scrofa]" . . . . . 96.55 503 97.62 97.62 5.85e-50 . . . . 17276 1 8 no DBJ BAG10679 . "TGF-beta receptor type-1 precursor [synthetic construct]" . . . . . 98.85 503 98.84 98.84 6.00e-52 . . . . 17276 1 9 no EMBL CAF02096 . "transforming growth factor receptor beta 1 [Homo sapiens]" . . . . . 97.70 507 98.82 98.82 2.38e-51 . . . . 17276 1 10 no EMBL CAF02097 . "transforming growth factor beta receptor 1 [Homo sapiens]" . . . . . 63.22 95 100.00 100.00 1.98e-30 . . . . 17276 1 11 no GB AAA16073 . "activin receptor-like kinase [Homo sapiens]" . . . . . 98.85 503 98.84 98.84 6.00e-52 . . . . 17276 1 12 no GB AAA80265 . "TGF-b type I receptor, partial [Mustela sp.]" . . . . . 86.21 460 100.00 100.00 1.40e-44 . . . . 17276 1 13 no GB AAC08998 . "TGF-beta type I receptor [Homo sapiens]" . . . . . 98.85 503 98.84 98.84 6.00e-52 . . . . 17276 1 14 no GB AAD02042 . "transforming growth factor-beta type I receptor [Homo sapiens]" . . . . . 98.85 503 98.84 98.84 6.00e-52 . . . . 17276 1 15 no GB AAH71181 . "TGFBR1 protein [Homo sapiens]" . . . . . 96.55 426 100.00 100.00 1.23e-53 . . . . 17276 1 16 no REF NP_001033728 . "TGF-beta receptor type-1 precursor [Sus scrofa]" . . . . . 96.55 503 97.62 97.62 5.85e-50 . . . . 17276 1 17 no REF NP_001124388 . "TGF-beta receptor type-1 isoform 2 precursor [Homo sapiens]" . . . . . 96.55 426 100.00 100.00 1.23e-53 . . . . 17276 1 18 no REF NP_001293139 . "TGF-beta receptor type-1 isoform 3 precursor [Homo sapiens]" . . . . . 97.70 507 98.82 98.82 2.38e-51 . . . . 17276 1 19 no REF NP_004603 . "TGF-beta receptor type-1 isoform 1 precursor [Homo sapiens]" . . . . . 98.85 503 98.84 98.84 6.00e-52 . . . . 17276 1 20 no REF XP_001112590 . "PREDICTED: TGF-beta receptor type-1-like isoform 1 [Macaca mulatta]" . . . . . 96.55 426 100.00 100.00 1.55e-53 . . . . 17276 1 21 no SP P36897 . "RecName: Full=TGF-beta receptor type-1; Short=TGFR-1; AltName: Full=Activin A receptor type II-like protein kinase of 53kD; Alt" . . . . . 98.85 503 98.84 98.84 6.00e-52 . . . . 17276 1 22 no SP Q5CD18 . "RecName: Full=TGF-beta receptor type-1; Short=TGFR-1; AltName: Full=TGF-beta type I receptor; AltName: Full=Transforming growth" . . . . . 96.55 503 97.62 97.62 5.85e-50 . . . . 17276 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 5 GLY . 17276 1 2 6 SER . 17276 1 3 7 ALA . 17276 1 4 8 THR . 17276 1 5 9 ALA . 17276 1 6 10 LEU . 17276 1 7 11 GLN . 17276 1 8 12 CYS . 17276 1 9 13 PHE . 17276 1 10 14 CYS . 17276 1 11 15 HIS . 17276 1 12 16 LEU . 17276 1 13 17 CYS . 17276 1 14 18 THR . 17276 1 15 19 LYS . 17276 1 16 20 ASP . 17276 1 17 21 ASN . 17276 1 18 22 PHE . 17276 1 19 23 THR . 17276 1 20 24 CYS . 17276 1 21 25 VAL . 17276 1 22 26 THR . 17276 1 23 27 ASP . 17276 1 24 28 GLY . 17276 1 25 29 LEU . 17276 1 26 30 CYS . 17276 1 27 31 PHE . 17276 1 28 32 VAL . 17276 1 29 33 SER . 17276 1 30 34 VAL . 17276 1 31 35 THR . 17276 1 32 36 GLU . 17276 1 33 37 THR . 17276 1 34 38 THR . 17276 1 35 39 ASP . 17276 1 36 40 LYS . 17276 1 37 41 VAL . 17276 1 38 42 ILE . 17276 1 39 43 HIS . 17276 1 40 44 ASN . 17276 1 41 45 SER . 17276 1 42 46 MET . 17276 1 43 47 CYS . 17276 1 44 48 ILE . 17276 1 45 49 ALA . 17276 1 46 50 GLU . 17276 1 47 51 ILE . 17276 1 48 52 ASP . 17276 1 49 53 LEU . 17276 1 50 54 ILE . 17276 1 51 55 PRO . 17276 1 52 56 ARG . 17276 1 53 57 ASP . 17276 1 54 58 ARG . 17276 1 55 59 PRO . 17276 1 56 60 PHE . 17276 1 57 61 VAL . 17276 1 58 62 CYS . 17276 1 59 63 ALA . 17276 1 60 64 PRO . 17276 1 61 65 SER . 17276 1 62 66 SER . 17276 1 63 67 LYS . 17276 1 64 68 THR . 17276 1 65 69 GLY . 17276 1 66 70 SER . 17276 1 67 71 VAL . 17276 1 68 72 THR . 17276 1 69 73 THR . 17276 1 70 74 THR . 17276 1 71 75 TYR . 17276 1 72 76 CYS . 17276 1 73 77 CYS . 17276 1 74 78 ASN . 17276 1 75 79 GLN . 17276 1 76 80 ASP . 17276 1 77 81 HIS . 17276 1 78 82 CYS . 17276 1 79 83 ASN . 17276 1 80 84 LYS . 17276 1 81 85 ILE . 17276 1 82 86 GLU . 17276 1 83 87 LEU . 17276 1 84 88 PRO . 17276 1 85 89 THR . 17276 1 86 90 THR . 17276 1 87 91 VAL . 17276 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 17276 1 . SER 2 2 17276 1 . ALA 3 3 17276 1 . THR 4 4 17276 1 . ALA 5 5 17276 1 . LEU 6 6 17276 1 . GLN 7 7 17276 1 . CYS 8 8 17276 1 . PHE 9 9 17276 1 . CYS 10 10 17276 1 . HIS 11 11 17276 1 . LEU 12 12 17276 1 . CYS 13 13 17276 1 . THR 14 14 17276 1 . LYS 15 15 17276 1 . ASP 16 16 17276 1 . ASN 17 17 17276 1 . PHE 18 18 17276 1 . THR 19 19 17276 1 . CYS 20 20 17276 1 . VAL 21 21 17276 1 . THR 22 22 17276 1 . ASP 23 23 17276 1 . GLY 24 24 17276 1 . LEU 25 25 17276 1 . CYS 26 26 17276 1 . PHE 27 27 17276 1 . VAL 28 28 17276 1 . SER 29 29 17276 1 . VAL 30 30 17276 1 . THR 31 31 17276 1 . GLU 32 32 17276 1 . THR 33 33 17276 1 . THR 34 34 17276 1 . ASP 35 35 17276 1 . LYS 36 36 17276 1 . VAL 37 37 17276 1 . ILE 38 38 17276 1 . HIS 39 39 17276 1 . ASN 40 40 17276 1 . SER 41 41 17276 1 . MET 42 42 17276 1 . CYS 43 43 17276 1 . ILE 44 44 17276 1 . ALA 45 45 17276 1 . GLU 46 46 17276 1 . ILE 47 47 17276 1 . ASP 48 48 17276 1 . LEU 49 49 17276 1 . ILE 50 50 17276 1 . PRO 51 51 17276 1 . ARG 52 52 17276 1 . ASP 53 53 17276 1 . ARG 54 54 17276 1 . PRO 55 55 17276 1 . PHE 56 56 17276 1 . VAL 57 57 17276 1 . CYS 58 58 17276 1 . ALA 59 59 17276 1 . PRO 60 60 17276 1 . SER 61 61 17276 1 . SER 62 62 17276 1 . LYS 63 63 17276 1 . THR 64 64 17276 1 . GLY 65 65 17276 1 . SER 66 66 17276 1 . VAL 67 67 17276 1 . THR 68 68 17276 1 . THR 69 69 17276 1 . THR 70 70 17276 1 . TYR 71 71 17276 1 . CYS 72 72 17276 1 . CYS 73 73 17276 1 . ASN 74 74 17276 1 . GLN 75 75 17276 1 . ASP 76 76 17276 1 . HIS 77 77 17276 1 . CYS 78 78 17276 1 . ASN 79 79 17276 1 . LYS 80 80 17276 1 . ILE 81 81 17276 1 . GLU 82 82 17276 1 . LEU 83 83 17276 1 . PRO 84 84 17276 1 . THR 85 85 17276 1 . THR 86 86 17276 1 . VAL 87 87 17276 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 17276 _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 $TbRI . 562 plasmid . 'Escherichia coli' 'E. coli' . . bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17276 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 17276 _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 $TbRI . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 17276 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17276 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TbRI '[U-100% 13C; U-100% 15N]' . . 1 $TbRI . . 1 . . mM . . . . 17276 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17276 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17276 1 4 'Sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17276 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17276 _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' 0.025 . M 17276 1 pH 7.2 . pH 17276 1 pressure 1 . atm 17276 1 temperature 300 . K 17276 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17276 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17276 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17276 1 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 17276 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17276 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17276 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17276 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17276 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17276 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 0.00 na indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17276 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 17276 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17276 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17276 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 '2D 1H-15N HSQC' . . . 17276 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 2 2 SER HA H 1 4.484 1.000 . 1 . . . . 6 SER HA . 17276 1 2 . 1 1 2 2 SER HB2 H 1 3.864 0.880 . 2 . . . . 6 SER HB1 . 17276 1 3 . 1 1 2 2 SER HB3 H 1 3.882 0.880 . 2 . . . . 6 SER HB2 . 17276 1 4 . 1 1 2 2 SER CA C 13 58.213 1.000 . 1 . . . . 6 SER CA . 17276 1 5 . 1 1 2 2 SER CB C 13 63.977 1.000 . 1 . . . . 6 SER CB . 17276 1 6 . 1 1 3 3 ALA H H 1 8.513 1.000 . 1 . . . . 7 ALA HN . 17276 1 7 . 1 1 3 3 ALA HA H 1 4.393 1.000 . 1 . . . . 7 ALA HA . 17276 1 8 . 1 1 3 3 ALA HB1 H 1 1.415 0.440 . 1 . . . . 7 ALA HB1 . 17276 1 9 . 1 1 3 3 ALA HB2 H 1 1.415 0.440 . 1 . . . . 7 ALA HB2 . 17276 1 10 . 1 1 3 3 ALA HB3 H 1 1.415 0.440 . 1 . . . . 7 ALA HB3 . 17276 1 11 . 1 1 3 3 ALA CA C 13 52.583 1.000 . 1 . . . . 7 ALA CA . 17276 1 12 . 1 1 3 3 ALA CB C 13 19.289 1.000 . 1 . . . . 7 ALA CB . 17276 1 13 . 1 1 3 3 ALA N N 15 126.161 1.000 . 1 . . . . 7 ALA N . 17276 1 14 . 1 1 4 4 THR H H 1 8.119 1.000 . 1 . . . . 8 THR HN . 17276 1 15 . 1 1 4 4 THR HA H 1 4.167 0.880 . 1 . . . . 8 THR HA . 17276 1 16 . 1 1 4 4 THR HG21 H 1 0.884 0.880 . 1 . . . . 8 THR HG21 . 17276 1 17 . 1 1 4 4 THR HG22 H 1 0.884 0.880 . 1 . . . . 8 THR HG22 . 17276 1 18 . 1 1 4 4 THR HG23 H 1 0.884 0.880 . 1 . . . . 8 THR HG23 . 17276 1 19 . 1 1 4 4 THR CA C 13 61.593 1.000 . 1 . . . . 8 THR CA . 17276 1 20 . 1 1 4 4 THR CB C 13 69.652 1.000 . 1 . . . . 8 THR CB . 17276 1 21 . 1 1 4 4 THR CG2 C 13 21.754 1.000 . 1 . . . . 8 THR CG2 . 17276 1 22 . 1 1 4 4 THR N N 15 114.205 1.000 . 1 . . . . 8 THR N . 17276 1 23 . 1 1 5 5 ALA H H 1 8.125 1.000 . 1 . . . . 9 ALA HN . 17276 1 24 . 1 1 5 5 ALA HA H 1 4.348 1.000 . 1 . . . . 9 ALA HA . 17276 1 25 . 1 1 5 5 ALA HB1 H 1 1.216 0.440 . 1 . . . . 9 ALA HB1 . 17276 1 26 . 1 1 5 5 ALA HB2 H 1 1.216 0.440 . 1 . . . . 9 ALA HB2 . 17276 1 27 . 1 1 5 5 ALA HB3 H 1 1.216 0.440 . 1 . . . . 9 ALA HB3 . 17276 1 28 . 1 1 5 5 ALA CA C 13 51.910 1.000 . 1 . . . . 9 ALA CA . 17276 1 29 . 1 1 5 5 ALA CB C 13 19.445 1.000 . 1 . . . . 9 ALA CB . 17276 1 30 . 1 1 5 5 ALA N N 15 127.885 1.000 . 1 . . . . 9 ALA N . 17276 1 31 . 1 1 6 6 LEU H H 1 8.250 1.000 . 1 . . . . 10 LEU HN . 17276 1 32 . 1 1 6 6 LEU HA H 1 4.370 1.000 . 1 . . . . 10 LEU HA . 17276 1 33 . 1 1 6 6 LEU HB2 H 1 1.247 0.880 . 2 . . . . 10 LEU HB1 . 17276 1 34 . 1 1 6 6 LEU HB3 H 1 1.556 0.880 . 2 . . . . 10 LEU HB2 . 17276 1 35 . 1 1 6 6 LEU HD11 H 1 0.700 0.440 . 2 . . . . 10 LEU HD11 . 17276 1 36 . 1 1 6 6 LEU HD12 H 1 0.700 0.440 . 2 . . . . 10 LEU HD12 . 17276 1 37 . 1 1 6 6 LEU HD13 H 1 0.700 0.440 . 2 . . . . 10 LEU HD13 . 17276 1 38 . 1 1 6 6 LEU HG H 1 0.734 1.000 . 1 . . . . 10 LEU HG . 17276 1 39 . 1 1 6 6 LEU CA C 13 54.663 1.000 . 1 . . . . 10 LEU CA . 17276 1 40 . 1 1 6 6 LEU CB C 13 43.481 1.000 . 1 . . . . 10 LEU CB . 17276 1 41 . 1 1 6 6 LEU CD1 C 13 22.718 1.000 . 2 . . . . 10 LEU CD1 . 17276 1 42 . 1 1 6 6 LEU CD2 C 13 19.645 1.000 . 2 . . . . 10 LEU CD2 . 17276 1 43 . 1 1 6 6 LEU CG C 13 26.631 1.000 . 1 . . . . 10 LEU CG . 17276 1 44 . 1 1 6 6 LEU N N 15 125.781 1.000 . 1 . . . . 10 LEU N . 17276 1 45 . 1 1 7 7 GLN H H 1 8.288 1.000 . 1 . . . . 11 GLN HN . 17276 1 46 . 1 1 7 7 GLN HA H 1 5.047 1.000 . 1 . . . . 11 GLN HA . 17276 1 47 . 1 1 7 7 GLN HB2 H 1 1.445 0.880 . 2 . . . . 11 GLN HB1 . 17276 1 48 . 1 1 7 7 GLN HB3 H 1 1.673 0.880 . 2 . . . . 11 GLN HB2 . 17276 1 49 . 1 1 7 7 GLN HE21 H 1 6.741 0.880 . 2 . . . . 11 GLN HE21 . 17276 1 50 . 1 1 7 7 GLN HE22 H 1 7.445 0.880 . 2 . . . . 11 GLN HE22 . 17276 1 51 . 1 1 7 7 GLN HG2 H 1 1.993 0.880 . 2 . . . . 11 GLN HG1 . 17276 1 52 . 1 1 7 7 GLN HG3 H 1 2.355 0.880 . 2 . . . . 11 GLN HG2 . 17276 1 53 . 1 1 7 7 GLN CA C 13 53.917 1.000 . 1 . . . . 11 GLN CA . 17276 1 54 . 1 1 7 7 GLN CB C 13 31.222 1.000 . 1 . . . . 11 GLN CB . 17276 1 55 . 1 1 7 7 GLN CG C 13 34.502 1.000 . 1 . . . . 11 GLN CG . 17276 1 56 . 1 1 7 7 GLN N N 15 123.262 1.000 . 1 . . . . 11 GLN N . 17276 1 57 . 1 1 7 7 GLN NE2 N 15 111.659 1.000 . 1 . . . . 11 GLN NE2 . 17276 1 58 . 1 1 8 8 CYS H H 1 9.109 1.000 . 1 . . . . 12 CYS HN . 17276 1 59 . 1 1 8 8 CYS HA H 1 4.864 1.000 . 1 . . . . 12 CYS HA . 17276 1 60 . 1 1 8 8 CYS HB2 H 1 3.088 0.440 . 2 . . . . 12 CYS HB1 . 17276 1 61 . 1 1 8 8 CYS HB3 H 1 3.010 0.440 . 2 . . . . 12 CYS HB2 . 17276 1 62 . 1 1 8 8 CYS CA C 13 51.117 1.000 . 1 . . . . 12 CYS CA . 17276 1 63 . 1 1 8 8 CYS CB C 13 40.506 1.000 . 1 . . . . 12 CYS CB . 17276 1 64 . 1 1 8 8 CYS N N 15 119.500 1.000 . 1 . . . . 12 CYS N . 17276 1 65 . 1 1 9 9 PHE H H 1 9.480 1.000 . 1 . . . . 13 PHE HN . 17276 1 66 . 1 1 9 9 PHE HA H 1 5.006 1.000 . 1 . . . . 13 PHE HA . 17276 1 67 . 1 1 9 9 PHE HB2 H 1 2.814 0.880 . 2 . . . . 13 PHE HB1 . 17276 1 68 . 1 1 9 9 PHE HB3 H 1 2.980 0.880 . 2 . . . . 13 PHE HB2 . 17276 1 69 . 1 1 9 9 PHE HD1 H 1 7.377 0.440 . 3 . . . . 13 PHE HD1 . 17276 1 70 . 1 1 9 9 PHE HD2 H 1 7.377 0.440 . 3 . . . . 13 PHE HD2 . 17276 1 71 . 1 1 9 9 PHE HE1 H 1 7.143 0.440 . 3 . . . . 13 PHE HE1 . 17276 1 72 . 1 1 9 9 PHE HE2 H 1 7.143 0.440 . 3 . . . . 13 PHE HE2 . 17276 1 73 . 1 1 9 9 PHE CA C 13 59.027 1.000 . 1 . . . . 13 PHE CA . 17276 1 74 . 1 1 9 9 PHE CB C 13 39.521 1.000 . 1 . . . . 13 PHE CB . 17276 1 75 . 1 1 9 9 PHE N N 15 122.160 1.000 . 1 . . . . 13 PHE N . 17276 1 76 . 1 1 10 10 CYS H H 1 7.810 1.000 . 1 . . . . 14 CYS HN . 17276 1 77 . 1 1 10 10 CYS HA H 1 4.708 1.000 . 1 . . . . 14 CYS HA . 17276 1 78 . 1 1 10 10 CYS HB2 H 1 2.189 0.880 . 2 . . . . 14 CYS HB1 . 17276 1 79 . 1 1 10 10 CYS HB3 H 1 3.382 0.880 . 2 . . . . 14 CYS HB2 . 17276 1 80 . 1 1 10 10 CYS CA C 13 51.999 1.000 . 1 . . . . 14 CYS CA . 17276 1 81 . 1 1 10 10 CYS CB C 13 40.816 1.000 . 1 . . . . 14 CYS CB . 17276 1 82 . 1 1 10 10 CYS N N 15 123.438 1.000 . 1 . . . . 14 CYS N . 17276 1 83 . 1 1 11 11 HIS H H 1 8.388 1.000 . 1 . . . . 15 HIS HN . 17276 1 84 . 1 1 11 11 HIS HA H 1 4.200 0.880 . 1 . . . . 15 HIS HA . 17276 1 85 . 1 1 11 11 HIS HB2 H 1 3.193 0.880 . 2 . . . . 15 HIS HB1 . 17276 1 86 . 1 1 11 11 HIS HB3 H 1 3.307 0.880 . 2 . . . . 15 HIS HB2 . 17276 1 87 . 1 1 11 11 HIS HD2 H 1 7.160 0.880 . 1 . . . . 15 HIS HD2 . 17276 1 88 . 1 1 11 11 HIS CA C 13 61.545 1.000 . 1 . . . . 15 HIS CA . 17276 1 89 . 1 1 11 11 HIS CB C 13 31.273 1.000 . 1 . . . . 15 HIS CB . 17276 1 90 . 1 1 11 11 HIS N N 15 128.559 1.000 . 1 . . . . 15 HIS N . 17276 1 91 . 1 1 12 12 LEU H H 1 7.975 1.000 . 1 . . . . 16 LEU HN . 17276 1 92 . 1 1 12 12 LEU HA H 1 4.526 1.000 . 1 . . . . 16 LEU HA . 17276 1 93 . 1 1 12 12 LEU HB2 H 1 1.654 0.880 . 2 . . . . 16 LEU HB1 . 17276 1 94 . 1 1 12 12 LEU HB3 H 1 1.688 0.880 . 2 . . . . 16 LEU HB2 . 17276 1 95 . 1 1 12 12 LEU HD11 H 1 0.870 0.440 . 2 . . . . 16 LEU HD11 . 17276 1 96 . 1 1 12 12 LEU HD12 H 1 0.870 0.440 . 2 . . . . 16 LEU HD12 . 17276 1 97 . 1 1 12 12 LEU HD13 H 1 0.870 0.440 . 2 . . . . 16 LEU HD13 . 17276 1 98 . 1 1 12 12 LEU HD21 H 1 0.910 0.440 . 2 . . . . 16 LEU HD21 . 17276 1 99 . 1 1 12 12 LEU HD22 H 1 0.910 0.440 . 2 . . . . 16 LEU HD22 . 17276 1 100 . 1 1 12 12 LEU HD23 H 1 0.910 0.440 . 2 . . . . 16 LEU HD23 . 17276 1 101 . 1 1 12 12 LEU HG H 1 1.222 1.000 . 1 . . . . 16 LEU HG . 17276 1 102 . 1 1 12 12 LEU CA C 13 54.355 1.000 . 1 . . . . 16 LEU CA . 17276 1 103 . 1 1 12 12 LEU CB C 13 41.309 1.000 . 1 . . . . 16 LEU CB . 17276 1 104 . 1 1 12 12 LEU CD1 C 13 22.506 0.880 . 2 . . . . 16 LEU CD1 . 17276 1 105 . 1 1 12 12 LEU CD2 C 13 25.206 0.880 . 2 . . . . 16 LEU CD2 . 17276 1 106 . 1 1 12 12 LEU CG C 13 26.958 0.880 . 1 . . . . 16 LEU CG . 17276 1 107 . 1 1 12 12 LEU N N 15 114.811 1.000 . 1 . . . . 16 LEU N . 17276 1 108 . 1 1 13 13 CYS H H 1 7.724 1.000 . 1 . . . . 17 CYS HN . 17276 1 109 . 1 1 13 13 CYS HA H 1 4.990 0.880 . 1 . . . . 17 CYS HA . 17276 1 110 . 1 1 13 13 CYS HB2 H 1 3.000 1.000 . 2 . . . . 17 CYS HB1 . 17276 1 111 . 1 1 13 13 CYS HB3 H 1 2.806 1.000 . 2 . . . . 17 CYS HB2 . 17276 1 112 . 1 1 13 13 CYS CA C 13 58.907 1.000 . 1 . . . . 17 CYS CA . 17276 1 113 . 1 1 13 13 CYS CB C 13 32.368 1.000 . 1 . . . . 17 CYS CB . 17276 1 114 . 1 1 13 13 CYS N N 15 122.347 1.000 . 1 . . . . 17 CYS N . 17276 1 115 . 1 1 14 14 THR H H 1 7.992 1.000 . 1 . . . . 18 THR HN . 17276 1 116 . 1 1 14 14 THR HA H 1 2.931 1.000 . 1 . . . . 18 THR HA . 17276 1 117 . 1 1 14 14 THR HB H 1 4.097 1.000 . 1 . . . . 18 THR HB . 17276 1 118 . 1 1 14 14 THR HG21 H 1 1.280 0.440 . 1 . . . . 18 THR HG21 . 17276 1 119 . 1 1 14 14 THR HG22 H 1 1.280 0.440 . 1 . . . . 18 THR HG22 . 17276 1 120 . 1 1 14 14 THR HG23 H 1 1.280 0.440 . 1 . . . . 18 THR HG23 . 17276 1 121 . 1 1 14 14 THR CA C 13 64.578 1.000 . 1 . . . . 18 THR CA . 17276 1 122 . 1 1 14 14 THR CB C 13 68.264 1.000 . 1 . . . . 18 THR CB . 17276 1 123 . 1 1 14 14 THR CG2 C 13 21.517 1.000 . 1 . . . . 18 THR CG2 . 17276 1 124 . 1 1 14 14 THR N N 15 114.668 1.000 . 1 . . . . 18 THR N . 17276 1 125 . 1 1 15 15 LYS HA H 1 4.203 1.000 . 1 . . . . 19 LYS HA . 17276 1 126 . 1 1 15 15 LYS HB2 H 1 1.710 0.880 . 2 . . . . 19 LYS HB1 . 17276 1 127 . 1 1 15 15 LYS HB3 H 1 1.810 0.880 . 2 . . . . 19 LYS HB2 . 17276 1 128 . 1 1 15 15 LYS HD2 H 1 1.612 0.440 . 2 . . . . 19 LYS HD1 . 17276 1 129 . 1 1 15 15 LYS HD3 H 1 1.612 0.440 . 2 . . . . 19 LYS HD2 . 17276 1 130 . 1 1 15 15 LYS HE2 H 1 2.943 0.440 . 2 . . . . 19 LYS HE1 . 17276 1 131 . 1 1 15 15 LYS HE3 H 1 2.943 0.440 . 2 . . . . 19 LYS HE2 . 17276 1 132 . 1 1 15 15 LYS HG2 H 1 1.390 0.880 . 2 . . . . 19 LYS HG1 . 17276 1 133 . 1 1 15 15 LYS HG3 H 1 1.340 0.880 . 2 . . . . 19 LYS HG2 . 17276 1 134 . 1 1 15 15 LYS CA C 13 57.134 1.000 . 1 . . . . 19 LYS CA . 17276 1 135 . 1 1 15 15 LYS CB C 13 31.911 1.000 . 1 . . . . 19 LYS CB . 17276 1 136 . 1 1 15 15 LYS CD C 13 28.902 1.000 . 1 . . . . 19 LYS CD . 17276 1 137 . 1 1 15 15 LYS CE C 13 42.096 1.000 . 1 . . . . 19 LYS CE . 17276 1 138 . 1 1 15 15 LYS CG C 13 24.820 1.000 . 1 . . . . 19 LYS CG . 17276 1 139 . 1 1 16 16 ASP H H 1 6.943 1.000 . 1 . . . . 20 ASP HN . 17276 1 140 . 1 1 16 16 ASP HA H 1 4.956 1.000 . 1 . . . . 20 ASP HA . 17276 1 141 . 1 1 16 16 ASP HB2 H 1 2.195 1.000 . 2 . . . . 20 ASP HB1 . 17276 1 142 . 1 1 16 16 ASP HB3 H 1 3.027 1.000 . 2 . . . . 20 ASP HB2 . 17276 1 143 . 1 1 16 16 ASP CA C 13 53.027 1.000 . 1 . . . . 20 ASP CA . 17276 1 144 . 1 1 16 16 ASP CB C 13 42.121 1.000 . 1 . . . . 20 ASP CB . 17276 1 145 . 1 1 16 16 ASP N N 15 118.494 1.000 . 1 . . . . 20 ASP N . 17276 1 146 . 1 1 17 17 ASN H H 1 8.253 1.000 . 1 . . . . 21 ASN HN . 17276 1 147 . 1 1 17 17 ASN HA H 1 4.093 1.000 . 1 . . . . 21 ASN HA . 17276 1 148 . 1 1 17 17 ASN HB2 H 1 3.106 0.440 . 2 . . . . 21 ASN HB1 . 17276 1 149 . 1 1 17 17 ASN HB3 H 1 2.608 0.440 . 2 . . . . 21 ASN HB2 . 17276 1 150 . 1 1 17 17 ASN HD21 H 1 6.811 0.880 . 2 . . . . 21 ASN HD21 . 17276 1 151 . 1 1 17 17 ASN HD22 H 1 7.617 0.880 . 2 . . . . 21 ASN HD22 . 17276 1 152 . 1 1 17 17 ASN CA C 13 54.471 1.000 . 1 . . . . 21 ASN CA . 17276 1 153 . 1 1 17 17 ASN CB C 13 36.868 1.000 . 1 . . . . 21 ASN CB . 17276 1 154 . 1 1 17 17 ASN N N 15 116.554 1.000 . 1 . . . . 21 ASN N . 17276 1 155 . 1 1 17 17 ASN ND2 N 15 112.775 1.000 . 1 . . . . 21 ASN ND2 . 17276 1 156 . 1 1 18 18 PHE H H 1 7.587 1.000 . 1 . . . . 22 PHE HN . 17276 1 157 . 1 1 18 18 PHE HA H 1 4.089 1.000 . 1 . . . . 22 PHE HA . 17276 1 158 . 1 1 18 18 PHE HB2 H 1 3.131 0.880 . 2 . . . . 22 PHE HB1 . 17276 1 159 . 1 1 18 18 PHE HB3 H 1 3.174 0.880 . 2 . . . . 22 PHE HB2 . 17276 1 160 . 1 1 18 18 PHE HD1 H 1 7.211 0.440 . 3 . . . . 22 PHE HD1 . 17276 1 161 . 1 1 18 18 PHE HD2 H 1 7.211 0.440 . 3 . . . . 22 PHE HD2 . 17276 1 162 . 1 1 18 18 PHE HE1 H 1 7.360 0.440 . 3 . . . . 22 PHE HE1 . 17276 1 163 . 1 1 18 18 PHE HE2 H 1 7.360 0.440 . 3 . . . . 22 PHE HE2 . 17276 1 164 . 1 1 18 18 PHE CA C 13 59.950 1.000 . 1 . . . . 22 PHE CA . 17276 1 165 . 1 1 18 18 PHE CB C 13 35.448 1.000 . 1 . . . . 22 PHE CB . 17276 1 166 . 1 1 18 18 PHE N N 15 109.481 1.000 . 1 . . . . 22 PHE N . 17276 1 167 . 1 1 19 19 THR H H 1 7.209 1.000 . 1 . . . . 23 THR HN . 17276 1 168 . 1 1 19 19 THR HA H 1 5.614 1.000 . 1 . . . . 23 THR HA . 17276 1 169 . 1 1 19 19 THR HB H 1 4.101 1.000 . 1 . . . . 23 THR HB . 17276 1 170 . 1 1 19 19 THR HG21 H 1 1.282 0.440 . 1 . . . . 23 THR HG21 . 17276 1 171 . 1 1 19 19 THR HG22 H 1 1.282 0.440 . 1 . . . . 23 THR HG22 . 17276 1 172 . 1 1 19 19 THR HG23 H 1 1.282 0.440 . 1 . . . . 23 THR HG23 . 17276 1 173 . 1 1 19 19 THR CA C 13 60.661 1.000 . 1 . . . . 23 THR CA . 17276 1 174 . 1 1 19 19 THR CB C 13 73.434 1.000 . 1 . . . . 23 THR CB . 17276 1 175 . 1 1 19 19 THR CG2 C 13 21.507 1.000 . 1 . . . . 23 THR CG2 . 17276 1 176 . 1 1 19 19 THR N N 15 112.053 1.000 . 1 . . . . 23 THR N . 17276 1 177 . 1 1 20 20 CYS H H 1 8.912 1.000 . 1 . . . . 24 CYS HN . 17276 1 178 . 1 1 20 20 CYS HA H 1 4.891 1.000 . 1 . . . . 24 CYS HA . 17276 1 179 . 1 1 20 20 CYS HB2 H 1 3.390 0.880 . 2 . . . . 24 CYS HB1 . 17276 1 180 . 1 1 20 20 CYS HB3 H 1 3.532 0.880 . 2 . . . . 24 CYS HB2 . 17276 1 181 . 1 1 20 20 CYS CA C 13 53.077 1.000 . 1 . . . . 24 CYS CA . 17276 1 182 . 1 1 20 20 CYS CB C 13 47.309 1.000 . 1 . . . . 24 CYS CB . 17276 1 183 . 1 1 20 20 CYS N N 15 118.439 1.000 . 1 . . . . 24 CYS N . 17276 1 184 . 1 1 21 21 VAL H H 1 8.489 1.000 . 1 . . . . 25 VAL HN . 17276 1 185 . 1 1 21 21 VAL HA H 1 5.256 1.000 . 1 . . . . 25 VAL HA . 17276 1 186 . 1 1 21 21 VAL HB H 1 1.787 1.000 . 1 . . . . 25 VAL HB . 17276 1 187 . 1 1 21 21 VAL HG11 H 1 0.824 0.440 . 2 . . . . 25 VAL HG11 . 17276 1 188 . 1 1 21 21 VAL HG12 H 1 0.824 0.440 . 2 . . . . 25 VAL HG12 . 17276 1 189 . 1 1 21 21 VAL HG13 H 1 0.824 0.440 . 2 . . . . 25 VAL HG13 . 17276 1 190 . 1 1 21 21 VAL HG21 H 1 0.790 0.440 . 2 . . . . 25 VAL HG21 . 17276 1 191 . 1 1 21 21 VAL HG22 H 1 0.790 0.440 . 2 . . . . 25 VAL HG22 . 17276 1 192 . 1 1 21 21 VAL HG23 H 1 0.790 0.440 . 2 . . . . 25 VAL HG23 . 17276 1 193 . 1 1 21 21 VAL CA C 13 59.793 1.000 . 1 . . . . 25 VAL CA . 17276 1 194 . 1 1 21 21 VAL CB C 13 33.563 1.000 . 1 . . . . 25 VAL CB . 17276 1 195 . 1 1 21 21 VAL CG1 C 13 20.825 0.880 . 2 . . . . 25 VAL CG1 . 17276 1 196 . 1 1 21 21 VAL CG2 C 13 21.359 0.880 . 2 . . . . 25 VAL CG2 . 17276 1 197 . 1 1 21 21 VAL N N 15 120.543 1.000 . 1 . . . . 25 VAL N . 17276 1 198 . 1 1 22 22 THR H H 1 9.252 1.000 . 1 . . . . 26 THR HN . 17276 1 199 . 1 1 22 22 THR HA H 1 4.844 1.000 . 1 . . . . 26 THR HA . 17276 1 200 . 1 1 22 22 THR HB H 1 3.657 1.000 . 1 . . . . 26 THR HB . 17276 1 201 . 1 1 22 22 THR HG21 H 1 0.875 0.440 . 1 . . . . 26 THR HG21 . 17276 1 202 . 1 1 22 22 THR HG22 H 1 0.875 0.440 . 1 . . . . 26 THR HG22 . 17276 1 203 . 1 1 22 22 THR HG23 H 1 0.875 0.440 . 1 . . . . 26 THR HG23 . 17276 1 204 . 1 1 22 22 THR CA C 13 59.641 1.000 . 1 . . . . 26 THR CA . 17276 1 205 . 1 1 22 22 THR CB C 13 70.799 1.000 . 1 . . . . 26 THR CB . 17276 1 206 . 1 1 22 22 THR CG2 C 13 19.073 1.000 . 1 . . . . 26 THR CG2 . 17276 1 207 . 1 1 22 22 THR N N 15 121.519 1.000 . 1 . . . . 26 THR N . 17276 1 208 . 1 1 23 23 ASP H H 1 8.087 1.000 . 1 . . . . 27 ASP HN . 17276 1 209 . 1 1 23 23 ASP HA H 1 4.798 1.000 . 1 . . . . 27 ASP HA . 17276 1 210 . 1 1 23 23 ASP HB2 H 1 2.621 0.880 . 2 . . . . 27 ASP HB1 . 17276 1 211 . 1 1 23 23 ASP HB3 H 1 3.040 0.880 . 2 . . . . 27 ASP HB2 . 17276 1 212 . 1 1 23 23 ASP CA C 13 52.503 1.000 . 1 . . . . 27 ASP CA . 17276 1 213 . 1 1 23 23 ASP CB C 13 40.830 1.000 . 1 . . . . 27 ASP CB . 17276 1 214 . 1 1 23 23 ASP N N 15 121.529 1.000 . 1 . . . . 27 ASP N . 17276 1 215 . 1 1 24 24 GLY H H 1 8.336 1.000 . 1 . . . . 28 GLY HN . 17276 1 216 . 1 1 24 24 GLY HA2 H 1 4.142 0.440 . 2 . . . . 28 GLY HA1 . 17276 1 217 . 1 1 24 24 GLY HA3 H 1 4.142 0.440 . 2 . . . . 28 GLY HA2 . 17276 1 218 . 1 1 24 24 GLY CA C 13 44.638 1.000 . 1 . . . . 28 GLY CA . 17276 1 219 . 1 1 24 24 GLY N N 15 112.506 1.000 . 1 . . . . 28 GLY N . 17276 1 220 . 1 1 25 25 LEU H H 1 8.788 1.000 . 1 . . . . 29 LEU HN . 17276 1 221 . 1 1 25 25 LEU HA H 1 4.668 1.000 . 1 . . . . 29 LEU HA . 17276 1 222 . 1 1 25 25 LEU HB2 H 1 1.668 0.880 . 2 . . . . 29 LEU HB1 . 17276 1 223 . 1 1 25 25 LEU HB3 H 1 1.399 0.880 . 2 . . . . 29 LEU HB2 . 17276 1 224 . 1 1 25 25 LEU HD11 H 1 0.840 0.440 . 2 . . . . 29 LEU HD11 . 17276 1 225 . 1 1 25 25 LEU HD12 H 1 0.840 0.440 . 2 . . . . 29 LEU HD12 . 17276 1 226 . 1 1 25 25 LEU HD13 H 1 0.840 0.440 . 2 . . . . 29 LEU HD13 . 17276 1 227 . 1 1 25 25 LEU HG H 1 1.511 0.880 . 1 . . . . 29 LEU HG . 17276 1 228 . 1 1 25 25 LEU CA C 13 53.424 1.000 . 1 . . . . 29 LEU CA . 17276 1 229 . 1 1 25 25 LEU CB C 13 46.986 1.000 . 1 . . . . 29 LEU CB . 17276 1 230 . 1 1 25 25 LEU CG C 13 26.417 1.000 . 1 . . . . 29 LEU CG . 17276 1 231 . 1 1 25 25 LEU N N 15 124.333 1.000 . 1 . . . . 29 LEU N . 17276 1 232 . 1 1 26 26 CYS H H 1 8.346 1.000 . 1 . . . . 30 CYS HN . 17276 1 233 . 1 1 26 26 CYS HA H 1 5.356 1.000 . 1 . . . . 30 CYS HA . 17276 1 234 . 1 1 26 26 CYS HB2 H 1 2.952 0.880 . 2 . . . . 30 CYS HB1 . 17276 1 235 . 1 1 26 26 CYS HB3 H 1 3.026 0.880 . 2 . . . . 30 CYS HB2 . 17276 1 236 . 1 1 26 26 CYS CA C 13 52.024 1.000 . 1 . . . . 30 CYS CA . 17276 1 237 . 1 1 26 26 CYS CB C 13 36.674 1.000 . 1 . . . . 30 CYS CB . 17276 1 238 . 1 1 26 26 CYS N N 15 115.400 1.000 . 1 . . . . 30 CYS N . 17276 1 239 . 1 1 27 27 PHE H H 1 8.743 1.000 . 1 . . . . 31 PHE HN . 17276 1 240 . 1 1 27 27 PHE HA H 1 5.575 1.000 . 1 . . . . 31 PHE HA . 17276 1 241 . 1 1 27 27 PHE HB2 H 1 2.848 0.880 . 2 . . . . 31 PHE HB1 . 17276 1 242 . 1 1 27 27 PHE HB3 H 1 2.922 0.880 . 2 . . . . 31 PHE HB2 . 17276 1 243 . 1 1 27 27 PHE HD1 H 1 7.066 0.880 . 3 . . . . 31 PHE HD1 . 17276 1 244 . 1 1 27 27 PHE HD2 H 1 7.066 0.880 . 3 . . . . 31 PHE HD2 . 17276 1 245 . 1 1 27 27 PHE HE1 H 1 7.244 0.880 . 3 . . . . 31 PHE HE1 . 17276 1 246 . 1 1 27 27 PHE HE2 H 1 7.244 0.880 . 3 . . . . 31 PHE HE2 . 17276 1 247 . 1 1 27 27 PHE CA C 13 56.596 1.000 . 1 . . . . 31 PHE CA . 17276 1 248 . 1 1 27 27 PHE CB C 13 43.879 1.000 . 1 . . . . 31 PHE CB . 17276 1 249 . 1 1 27 27 PHE N N 15 122.033 1.000 . 1 . . . . 31 PHE N . 17276 1 250 . 1 1 28 28 VAL H H 1 8.572 1.000 . 1 . . . . 32 VAL HN . 17276 1 251 . 1 1 28 28 VAL HA H 1 5.358 1.000 . 1 . . . . 32 VAL HA . 17276 1 252 . 1 1 28 28 VAL HB H 1 2.304 1.000 . 1 . . . . 32 VAL HB . 17276 1 253 . 1 1 28 28 VAL HG11 H 1 0.955 0.440 . 2 . . . . 32 VAL HG11 . 17276 1 254 . 1 1 28 28 VAL HG12 H 1 0.955 0.440 . 2 . . . . 32 VAL HG12 . 17276 1 255 . 1 1 28 28 VAL HG13 H 1 0.955 0.440 . 2 . . . . 32 VAL HG13 . 17276 1 256 . 1 1 28 28 VAL HG21 H 1 0.783 0.440 . 2 . . . . 32 VAL HG21 . 17276 1 257 . 1 1 28 28 VAL HG22 H 1 0.783 0.440 . 2 . . . . 32 VAL HG22 . 17276 1 258 . 1 1 28 28 VAL HG23 H 1 0.783 0.440 . 2 . . . . 32 VAL HG23 . 17276 1 259 . 1 1 28 28 VAL CA C 13 59.927 1.000 . 1 . . . . 32 VAL CA . 17276 1 260 . 1 1 28 28 VAL CB C 13 34.323 1.000 . 1 . . . . 32 VAL CB . 17276 1 261 . 1 1 28 28 VAL CG1 C 13 21.661 1.000 . 2 . . . . 32 VAL CG1 . 17276 1 262 . 1 1 28 28 VAL CG2 C 13 19.590 1.000 . 2 . . . . 32 VAL CG2 . 17276 1 263 . 1 1 28 28 VAL N N 15 130.788 1.000 . 1 . . . . 32 VAL N . 17276 1 264 . 1 1 29 29 SER H H 1 8.764 1.000 . 1 . . . . 33 SER HN . 17276 1 265 . 1 1 29 29 SER HA H 1 5.275 1.000 . 1 . . . . 33 SER HA . 17276 1 266 . 1 1 29 29 SER HB2 H 1 3.696 0.880 . 2 . . . . 33 SER HB1 . 17276 1 267 . 1 1 29 29 SER HB3 H 1 3.764 0.880 . 2 . . . . 33 SER HB2 . 17276 1 268 . 1 1 29 29 SER CA C 13 55.262 1.000 . 1 . . . . 33 SER CA . 17276 1 269 . 1 1 29 29 SER CB C 13 66.724 1.000 . 1 . . . . 33 SER CB . 17276 1 270 . 1 1 29 29 SER N N 15 119.458 1.000 . 1 . . . . 33 SER N . 17276 1 271 . 1 1 30 30 VAL H H 1 8.672 1.000 . 1 . . . . 34 VAL HN . 17276 1 272 . 1 1 30 30 VAL HA H 1 4.750 1.000 . 1 . . . . 34 VAL HA . 17276 1 273 . 1 1 30 30 VAL HB H 1 1.879 1.000 . 1 . . . . 34 VAL HB . 17276 1 274 . 1 1 30 30 VAL HG11 H 1 0.664 0.440 . 2 . . . . 34 VAL HG11 . 17276 1 275 . 1 1 30 30 VAL HG12 H 1 0.664 0.440 . 2 . . . . 34 VAL HG12 . 17276 1 276 . 1 1 30 30 VAL HG13 H 1 0.664 0.440 . 2 . . . . 34 VAL HG13 . 17276 1 277 . 1 1 30 30 VAL HG21 H 1 0.712 0.440 . 2 . . . . 34 VAL HG21 . 17276 1 278 . 1 1 30 30 VAL HG22 H 1 0.712 0.440 . 2 . . . . 34 VAL HG22 . 17276 1 279 . 1 1 30 30 VAL HG23 H 1 0.712 0.440 . 2 . . . . 34 VAL HG23 . 17276 1 280 . 1 1 30 30 VAL CA C 13 60.951 1.000 . 1 . . . . 34 VAL CA . 17276 1 281 . 1 1 30 30 VAL CB C 13 34.551 1.000 . 1 . . . . 34 VAL CB . 17276 1 282 . 1 1 30 30 VAL CG1 C 13 21.155 0.880 . 2 . . . . 34 VAL CG1 . 17276 1 283 . 1 1 30 30 VAL CG2 C 13 21.259 0.880 . 2 . . . . 34 VAL CG2 . 17276 1 284 . 1 1 30 30 VAL N N 15 122.450 1.000 . 1 . . . . 34 VAL N . 17276 1 285 . 1 1 31 31 THR H H 1 8.924 1.000 . 1 . . . . 35 THR HN . 17276 1 286 . 1 1 31 31 THR HA H 1 5.054 1.000 . 1 . . . . 35 THR HA . 17276 1 287 . 1 1 31 31 THR HB H 1 3.883 1.000 . 1 . . . . 35 THR HB . 17276 1 288 . 1 1 31 31 THR HG21 H 1 1.080 0.440 . 1 . . . . 35 THR HG21 . 17276 1 289 . 1 1 31 31 THR HG22 H 1 1.080 0.440 . 1 . . . . 35 THR HG22 . 17276 1 290 . 1 1 31 31 THR HG23 H 1 1.080 0.440 . 1 . . . . 35 THR HG23 . 17276 1 291 . 1 1 31 31 THR CA C 13 61.406 1.000 . 1 . . . . 35 THR CA . 17276 1 292 . 1 1 31 31 THR CB C 13 70.943 1.000 . 1 . . . . 35 THR CB . 17276 1 293 . 1 1 31 31 THR CG2 C 13 20.933 1.000 . 1 . . . . 35 THR CG2 . 17276 1 294 . 1 1 31 31 THR N N 15 124.184 1.000 . 1 . . . . 35 THR N . 17276 1 295 . 1 1 32 32 GLU H H 1 8.986 1.000 . 1 . . . . 36 GLU HN . 17276 1 296 . 1 1 32 32 GLU HA H 1 4.786 1.000 . 1 . . . . 36 GLU HA . 17276 1 297 . 1 1 32 32 GLU HB2 H 1 2.064 0.880 . 2 . . . . 36 GLU HB1 . 17276 1 298 . 1 1 32 32 GLU HB3 H 1 1.937 0.880 . 2 . . . . 36 GLU HB2 . 17276 1 299 . 1 1 32 32 GLU HG2 H 1 2.178 0.880 . 2 . . . . 36 GLU HG1 . 17276 1 300 . 1 1 32 32 GLU HG3 H 1 2.120 0.880 . 2 . . . . 36 GLU HG2 . 17276 1 301 . 1 1 32 32 GLU CA C 13 55.763 1.000 . 1 . . . . 36 GLU CA . 17276 1 302 . 1 1 32 32 GLU CB C 13 31.342 1.000 . 1 . . . . 36 GLU CB . 17276 1 303 . 1 1 32 32 GLU CG C 13 36.568 1.000 . 1 . . . . 36 GLU CG . 17276 1 304 . 1 1 32 32 GLU N N 15 127.663 1.000 . 1 . . . . 36 GLU N . 17276 1 305 . 1 1 33 33 THR H H 1 8.390 1.000 . 1 . . . . 37 THR HN . 17276 1 306 . 1 1 33 33 THR HA H 1 4.880 1.000 . 1 . . . . 37 THR HA . 17276 1 307 . 1 1 33 33 THR HB H 1 4.553 1.000 . 1 . . . . 37 THR HB . 17276 1 308 . 1 1 33 33 THR HG21 H 1 1.163 0.440 . 1 . . . . 37 THR HG21 . 17276 1 309 . 1 1 33 33 THR HG22 H 1 1.163 0.440 . 1 . . . . 37 THR HG22 . 17276 1 310 . 1 1 33 33 THR HG23 H 1 1.163 0.440 . 1 . . . . 37 THR HG23 . 17276 1 311 . 1 1 33 33 THR CA C 13 59.804 1.000 . 1 . . . . 37 THR CA . 17276 1 312 . 1 1 33 33 THR CB C 13 70.675 1.000 . 1 . . . . 37 THR CB . 17276 1 313 . 1 1 33 33 THR CG2 C 13 21.686 1.000 . 1 . . . . 37 THR CG2 . 17276 1 314 . 1 1 33 33 THR N N 15 117.450 1.000 . 1 . . . . 37 THR N . 17276 1 315 . 1 1 34 34 THR H H 1 8.390 1.000 . 1 . . . . 38 THR HN . 17276 1 316 . 1 1 34 34 THR HA H 1 3.961 0.880 . 1 . . . . 38 THR HA . 17276 1 317 . 1 1 34 34 THR HB H 1 4.178 0.880 . 1 . . . . 38 THR HB . 17276 1 318 . 1 1 34 34 THR HG21 H 1 1.250 0.440 . 1 . . . . 38 THR HG21 . 17276 1 319 . 1 1 34 34 THR HG22 H 1 1.250 0.440 . 1 . . . . 38 THR HG22 . 17276 1 320 . 1 1 34 34 THR HG23 H 1 1.250 0.440 . 1 . . . . 38 THR HG23 . 17276 1 321 . 1 1 34 34 THR CA C 13 64.951 0.880 . 1 . . . . 38 THR CA . 17276 1 322 . 1 1 34 34 THR CB C 13 68.757 0.880 . 1 . . . . 38 THR CB . 17276 1 323 . 1 1 34 34 THR CG2 C 13 21.938 0.880 . 1 . . . . 38 THR CG2 . 17276 1 324 . 1 1 34 34 THR N N 15 113.644 1.000 . 1 . . . . 38 THR N . 17276 1 325 . 1 1 35 35 ASP H H 1 8.227 1.000 . 1 . . . . 39 ASP HN . 17276 1 326 . 1 1 35 35 ASP HA H 1 4.657 1.000 . 1 . . . . 39 ASP HA . 17276 1 327 . 1 1 35 35 ASP HB2 H 1 2.681 0.880 . 2 . . . . 39 ASP HB1 . 17276 1 328 . 1 1 35 35 ASP HB3 H 1 2.604 0.880 . 2 . . . . 39 ASP HB2 . 17276 1 329 . 1 1 35 35 ASP CA C 13 54.257 1.000 . 1 . . . . 39 ASP CA . 17276 1 330 . 1 1 35 35 ASP CB C 13 41.928 1.000 . 1 . . . . 39 ASP CB . 17276 1 331 . 1 1 35 35 ASP N N 15 117.030 1.000 . 1 . . . . 39 ASP N . 17276 1 332 . 1 1 36 36 LYS H H 1 7.599 1.000 . 1 . . . . 40 LYS HN . 17276 1 333 . 1 1 36 36 LYS HA H 1 4.597 1.000 . 1 . . . . 40 LYS HA . 17276 1 334 . 1 1 36 36 LYS HB2 H 1 1.656 0.880 . 2 . . . . 40 LYS HB1 . 17276 1 335 . 1 1 36 36 LYS HB3 H 1 1.768 0.880 . 2 . . . . 40 LYS HB2 . 17276 1 336 . 1 1 36 36 LYS HD2 H 1 1.595 0.440 . 2 . . . . 40 LYS HD1 . 17276 1 337 . 1 1 36 36 LYS HD3 H 1 1.595 0.440 . 2 . . . . 40 LYS HD2 . 17276 1 338 . 1 1 36 36 LYS HE2 H 1 2.916 0.440 . 2 . . . . 40 LYS HE1 . 17276 1 339 . 1 1 36 36 LYS HE3 H 1 2.916 0.440 . 2 . . . . 40 LYS HE2 . 17276 1 340 . 1 1 36 36 LYS HG2 H 1 1.234 0.880 . 2 . . . . 40 LYS HG1 . 17276 1 341 . 1 1 36 36 LYS HG3 H 1 1.287 0.880 . 2 . . . . 40 LYS HG2 . 17276 1 342 . 1 1 36 36 LYS CA C 13 55.730 1.000 . 1 . . . . 40 LYS CA . 17276 1 343 . 1 1 36 36 LYS CB C 13 35.396 1.000 . 1 . . . . 40 LYS CB . 17276 1 344 . 1 1 36 36 LYS CD C 13 29.267 1.000 . 1 . . . . 40 LYS CD . 17276 1 345 . 1 1 36 36 LYS CE C 13 41.761 1.000 . 1 . . . . 40 LYS CE . 17276 1 346 . 1 1 36 36 LYS CG C 13 23.929 1.000 . 1 . . . . 40 LYS CG . 17276 1 347 . 1 1 36 36 LYS N N 15 118.479 1.000 . 1 . . . . 40 LYS N . 17276 1 348 . 1 1 37 37 VAL H H 1 8.285 1.000 . 1 . . . . 41 VAL HN . 17276 1 349 . 1 1 37 37 VAL HA H 1 4.671 1.000 . 1 . . . . 41 VAL HA . 17276 1 350 . 1 1 37 37 VAL HB H 1 1.873 1.000 . 1 . . . . 41 VAL HB . 17276 1 351 . 1 1 37 37 VAL HG11 H 1 0.710 0.440 . 2 . . . . 41 VAL HG11 . 17276 1 352 . 1 1 37 37 VAL HG12 H 1 0.710 0.440 . 2 . . . . 41 VAL HG12 . 17276 1 353 . 1 1 37 37 VAL HG13 H 1 0.710 0.440 . 2 . . . . 41 VAL HG13 . 17276 1 354 . 1 1 37 37 VAL HG21 H 1 0.895 0.440 . 2 . . . . 41 VAL HG21 . 17276 1 355 . 1 1 37 37 VAL HG22 H 1 0.895 0.440 . 2 . . . . 41 VAL HG22 . 17276 1 356 . 1 1 37 37 VAL HG23 H 1 0.895 0.440 . 2 . . . . 41 VAL HG23 . 17276 1 357 . 1 1 37 37 VAL CA C 13 61.705 1.000 . 1 . . . . 41 VAL CA . 17276 1 358 . 1 1 37 37 VAL CB C 13 33.091 1.000 . 1 . . . . 41 VAL CB . 17276 1 359 . 1 1 37 37 VAL CG1 C 13 21.787 1.000 . 2 . . . . 41 VAL CG1 . 17276 1 360 . 1 1 37 37 VAL CG2 C 13 21.642 1.000 . 2 . . . . 41 VAL CG2 . 17276 1 361 . 1 1 37 37 VAL N N 15 122.402 1.000 . 1 . . . . 41 VAL N . 17276 1 362 . 1 1 38 38 ILE H H 1 8.935 1.000 . 1 . . . . 42 ILE HN . 17276 1 363 . 1 1 38 38 ILE HA H 1 4.323 1.000 . 1 . . . . 42 ILE HA . 17276 1 364 . 1 1 38 38 ILE HB H 1 1.681 0.880 . 1 . . . . 42 ILE HB . 17276 1 365 . 1 1 38 38 ILE HD11 H 1 0.790 0.440 . 1 . . . . 42 ILE HD11 . 17276 1 366 . 1 1 38 38 ILE HD12 H 1 0.790 0.440 . 1 . . . . 42 ILE HD12 . 17276 1 367 . 1 1 38 38 ILE HD13 H 1 0.790 0.440 . 1 . . . . 42 ILE HD13 . 17276 1 368 . 1 1 38 38 ILE HG12 H 1 1.405 0.880 . 2 . . . . 42 ILE HG11 . 17276 1 369 . 1 1 38 38 ILE HG13 H 1 1.032 0.880 . 2 . . . . 42 ILE HG12 . 17276 1 370 . 1 1 38 38 ILE HG21 H 1 0.810 0.440 . 1 . . . . 42 ILE HG21 . 17276 1 371 . 1 1 38 38 ILE HG22 H 1 0.810 0.440 . 1 . . . . 42 ILE HG22 . 17276 1 372 . 1 1 38 38 ILE HG23 H 1 0.810 0.440 . 1 . . . . 42 ILE HG23 . 17276 1 373 . 1 1 38 38 ILE CA C 13 60.293 1.000 . 1 . . . . 42 ILE CA . 17276 1 374 . 1 1 38 38 ILE CB C 13 40.670 1.000 . 1 . . . . 42 ILE CB . 17276 1 375 . 1 1 38 38 ILE CD1 C 13 13.471 1.000 . 1 . . . . 42 ILE CD1 . 17276 1 376 . 1 1 38 38 ILE CG1 C 13 27.224 1.000 . 1 . . . . 42 ILE CG1 . 17276 1 377 . 1 1 38 38 ILE CG2 C 13 17.679 1.000 . 1 . . . . 42 ILE CG2 . 17276 1 378 . 1 1 38 38 ILE N N 15 126.900 1.000 . 1 . . . . 42 ILE N . 17276 1 379 . 1 1 39 39 HIS H H 1 8.779 1.000 . 1 . . . . 43 HIS HN . 17276 1 380 . 1 1 39 39 HIS HA H 1 5.311 1.000 . 1 . . . . 43 HIS HA . 17276 1 381 . 1 1 39 39 HIS HB2 H 1 2.894 0.440 . 2 . . . . 43 HIS HB1 . 17276 1 382 . 1 1 39 39 HIS HB3 H 1 2.894 0.440 . 2 . . . . 43 HIS HB2 . 17276 1 383 . 1 1 39 39 HIS HD2 H 1 6.713 0.880 . 1 . . . . 43 HIS HD2 . 17276 1 384 . 1 1 39 39 HIS CA C 13 55.033 1.000 . 1 . . . . 43 HIS CA . 17276 1 385 . 1 1 39 39 HIS CB C 13 33.212 1.000 . 1 . . . . 43 HIS CB . 17276 1 386 . 1 1 39 39 HIS N N 15 129.002 1.000 . 1 . . . . 43 HIS N . 17276 1 387 . 1 1 40 40 ASN H H 1 8.700 1.000 . 1 . . . . 44 ASN HN . 17276 1 388 . 1 1 40 40 ASN HA H 1 4.857 1.000 . 1 . . . . 44 ASN HA . 17276 1 389 . 1 1 40 40 ASN HB2 H 1 2.649 0.880 . 2 . . . . 44 ASN HB1 . 17276 1 390 . 1 1 40 40 ASN HB3 H 1 2.977 0.880 . 2 . . . . 44 ASN HB2 . 17276 1 391 . 1 1 40 40 ASN HD21 H 1 7.420 0.880 . 2 . . . . 44 ASN HD21 . 17276 1 392 . 1 1 40 40 ASN HD22 H 1 6.622 0.880 . 2 . . . . 44 ASN HD22 . 17276 1 393 . 1 1 40 40 ASN CA C 13 52.477 1.000 . 1 . . . . 44 ASN CA . 17276 1 394 . 1 1 40 40 ASN CB C 13 41.127 1.000 . 1 . . . . 44 ASN CB . 17276 1 395 . 1 1 40 40 ASN N N 15 121.014 1.000 . 1 . . . . 44 ASN N . 17276 1 396 . 1 1 40 40 ASN ND2 N 15 110.866 1.000 . 1 . . . . 44 ASN ND2 . 17276 1 397 . 1 1 41 41 SER H H 1 9.514 1.000 . 1 . . . . 45 SER HN . 17276 1 398 . 1 1 41 41 SER HA H 1 5.721 1.000 . 1 . . . . 45 SER HA . 17276 1 399 . 1 1 41 41 SER HB2 H 1 3.991 0.440 . 2 . . . . 45 SER HB1 . 17276 1 400 . 1 1 41 41 SER HB3 H 1 4.126 0.440 . 2 . . . . 45 SER HB2 . 17276 1 401 . 1 1 41 41 SER CA C 13 57.347 1.000 . 1 . . . . 45 SER CA . 17276 1 402 . 1 1 41 41 SER CB C 13 64.702 1.000 . 1 . . . . 45 SER CB . 17276 1 403 . 1 1 41 41 SER N N 15 120.877 1.000 . 1 . . . . 45 SER N . 17276 1 404 . 1 1 42 42 MET H H 1 9.067 1.000 . 1 . . . . 46 MET HN . 17276 1 405 . 1 1 42 42 MET HA H 1 4.819 1.000 . 1 . . . . 46 MET HA . 17276 1 406 . 1 1 42 42 MET HB2 H 1 2.354 0.880 . 2 . . . . 46 MET HB1 . 17276 1 407 . 1 1 42 42 MET HB3 H 1 2.255 0.880 . 2 . . . . 46 MET HB2 . 17276 1 408 . 1 1 42 42 MET CA C 13 55.849 1.000 . 1 . . . . 46 MET CA . 17276 1 409 . 1 1 42 42 MET CB C 13 35.364 1.000 . 1 . . . . 46 MET CB . 17276 1 410 . 1 1 42 42 MET N N 15 119.201 1.000 . 1 . . . . 46 MET N . 17276 1 411 . 1 1 43 43 CYS H H 1 8.380 1.000 . 1 . . . . 47 CYS HN . 17276 1 412 . 1 1 43 43 CYS HA H 1 4.928 1.000 . 1 . . . . 47 CYS HA . 17276 1 413 . 1 1 43 43 CYS HB2 H 1 3.182 0.880 . 2 . . . . 47 CYS HB1 . 17276 1 414 . 1 1 43 43 CYS HB3 H 1 2.700 0.880 . 2 . . . . 47 CYS HB2 . 17276 1 415 . 1 1 43 43 CYS CA C 13 60.635 1.000 . 1 . . . . 47 CYS CA . 17276 1 416 . 1 1 43 43 CYS CB C 13 43.477 1.000 . 1 . . . . 47 CYS CB . 17276 1 417 . 1 1 43 43 CYS N N 15 117.453 1.000 . 1 . . . . 47 CYS N . 17276 1 418 . 1 1 44 44 ILE H H 1 8.784 1.000 . 1 . . . . 48 ILE HN . 17276 1 419 . 1 1 44 44 ILE HA H 1 4.265 1.000 . 1 . . . . 48 ILE HA . 17276 1 420 . 1 1 44 44 ILE HB H 1 1.635 1.000 . 1 . . . . 48 ILE HB . 17276 1 421 . 1 1 44 44 ILE HD11 H 1 0.430 0.440 . 1 . . . . 48 ILE HD11 . 17276 1 422 . 1 1 44 44 ILE HD12 H 1 0.430 0.440 . 1 . . . . 48 ILE HD12 . 17276 1 423 . 1 1 44 44 ILE HD13 H 1 0.430 0.440 . 1 . . . . 48 ILE HD13 . 17276 1 424 . 1 1 44 44 ILE HG12 H 1 1.191 0.880 . 2 . . . . 48 ILE HG11 . 17276 1 425 . 1 1 44 44 ILE HG13 H 1 0.956 0.880 . 2 . . . . 48 ILE HG12 . 17276 1 426 . 1 1 44 44 ILE HG21 H 1 0.863 0.440 . 1 . . . . 48 ILE HG21 . 17276 1 427 . 1 1 44 44 ILE HG22 H 1 0.863 0.440 . 1 . . . . 48 ILE HG22 . 17276 1 428 . 1 1 44 44 ILE HG23 H 1 0.863 0.440 . 1 . . . . 48 ILE HG23 . 17276 1 429 . 1 1 44 44 ILE CA C 13 60.062 1.000 . 1 . . . . 48 ILE CA . 17276 1 430 . 1 1 44 44 ILE CB C 13 39.090 1.000 . 1 . . . . 48 ILE CB . 17276 1 431 . 1 1 44 44 ILE CD1 C 13 12.904 1.000 . 1 . . . . 48 ILE CD1 . 17276 1 432 . 1 1 44 44 ILE CG1 C 13 26.961 1.000 . 1 . . . . 48 ILE CG1 . 17276 1 433 . 1 1 44 44 ILE CG2 C 13 17.984 1.000 . 1 . . . . 48 ILE CG2 . 17276 1 434 . 1 1 44 44 ILE N N 15 121.292 1.000 . 1 . . . . 48 ILE N . 17276 1 435 . 1 1 45 45 ALA H H 1 8.818 1.000 . 1 . . . . 49 ALA HN . 17276 1 436 . 1 1 45 45 ALA HA H 1 4.208 1.000 . 1 . . . . 49 ALA HA . 17276 1 437 . 1 1 45 45 ALA HB1 H 1 1.495 0.440 . 1 . . . . 49 ALA HB1 . 17276 1 438 . 1 1 45 45 ALA HB2 H 1 1.495 0.440 . 1 . . . . 49 ALA HB2 . 17276 1 439 . 1 1 45 45 ALA HB3 H 1 1.495 0.440 . 1 . . . . 49 ALA HB3 . 17276 1 440 . 1 1 45 45 ALA CA C 13 51.970 1.000 . 1 . . . . 49 ALA CA . 17276 1 441 . 1 1 45 45 ALA CB C 13 19.621 1.000 . 1 . . . . 49 ALA CB . 17276 1 442 . 1 1 45 45 ALA N N 15 129.760 1.000 . 1 . . . . 49 ALA N . 17276 1 443 . 1 1 46 46 GLU H H 1 8.613 1.000 . 1 . . . . 50 GLU HN . 17276 1 444 . 1 1 46 46 GLU HA H 1 3.676 1.000 . 1 . . . . 50 GLU HA . 17276 1 445 . 1 1 46 46 GLU HB2 H 1 1.797 0.440 . 2 . . . . 50 GLU HB1 . 17276 1 446 . 1 1 46 46 GLU HB3 H 1 1.797 0.440 . 2 . . . . 50 GLU HB2 . 17276 1 447 . 1 1 46 46 GLU HG2 H 1 2.114 0.880 . 2 . . . . 50 GLU HG1 . 17276 1 448 . 1 1 46 46 GLU HG3 H 1 2.157 0.880 . 2 . . . . 50 GLU HG2 . 17276 1 449 . 1 1 46 46 GLU CA C 13 59.921 1.000 . 1 . . . . 50 GLU CA . 17276 1 450 . 1 1 46 46 GLU CB C 13 28.847 1.000 . 1 . . . . 50 GLU CB . 17276 1 451 . 1 1 46 46 GLU CG C 13 36.314 1.000 . 1 . . . . 50 GLU CG . 17276 1 452 . 1 1 46 46 GLU N N 15 122.801 1.000 . 1 . . . . 50 GLU N . 17276 1 453 . 1 1 47 47 ILE H H 1 8.073 1.000 . 1 . . . . 51 ILE HN . 17276 1 454 . 1 1 47 47 ILE HA H 1 3.981 1.000 . 1 . . . . 51 ILE HA . 17276 1 455 . 1 1 47 47 ILE HB H 1 1.822 1.000 . 1 . . . . 51 ILE HB . 17276 1 456 . 1 1 47 47 ILE HD11 H 1 0.863 0.440 . 1 . . . . 51 ILE HD11 . 17276 1 457 . 1 1 47 47 ILE HD12 H 1 0.863 0.440 . 1 . . . . 51 ILE HD12 . 17276 1 458 . 1 1 47 47 ILE HD13 H 1 0.863 0.440 . 1 . . . . 51 ILE HD13 . 17276 1 459 . 1 1 47 47 ILE HG12 H 1 1.393 0.880 . 2 . . . . 51 ILE HG11 . 17276 1 460 . 1 1 47 47 ILE HG13 H 1 1.203 0.880 . 2 . . . . 51 ILE HG12 . 17276 1 461 . 1 1 47 47 ILE HG21 H 1 0.826 0.440 . 1 . . . . 51 ILE HG21 . 17276 1 462 . 1 1 47 47 ILE HG22 H 1 0.826 0.440 . 1 . . . . 51 ILE HG22 . 17276 1 463 . 1 1 47 47 ILE HG23 H 1 0.826 0.440 . 1 . . . . 51 ILE HG23 . 17276 1 464 . 1 1 47 47 ILE CA C 13 62.394 1.000 . 1 . . . . 51 ILE CA . 17276 1 465 . 1 1 47 47 ILE CB C 13 38.491 1.000 . 1 . . . . 51 ILE CB . 17276 1 466 . 1 1 47 47 ILE CD1 C 13 14.295 1.000 . 1 . . . . 51 ILE CD1 . 17276 1 467 . 1 1 47 47 ILE CG1 C 13 28.100 1.000 . 1 . . . . 51 ILE CG1 . 17276 1 468 . 1 1 47 47 ILE CG2 C 13 17.167 1.000 . 1 . . . . 51 ILE CG2 . 17276 1 469 . 1 1 47 47 ILE N N 15 114.462 1.000 . 1 . . . . 51 ILE N . 17276 1 470 . 1 1 48 48 ASP H H 1 7.449 1.000 . 1 . . . . 52 ASP HN . 17276 1 471 . 1 1 48 48 ASP HA H 1 4.807 1.000 . 1 . . . . 52 ASP HA . 17276 1 472 . 1 1 48 48 ASP HB2 H 1 2.571 0.880 . 2 . . . . 52 ASP HB1 . 17276 1 473 . 1 1 48 48 ASP HB3 H 1 2.790 0.880 . 2 . . . . 52 ASP HB2 . 17276 1 474 . 1 1 48 48 ASP CA C 13 54.292 1.000 . 1 . . . . 52 ASP CA . 17276 1 475 . 1 1 48 48 ASP CB C 13 41.861 1.000 . 1 . . . . 52 ASP CB . 17276 1 476 . 1 1 48 48 ASP N N 15 119.381 1.000 . 1 . . . . 52 ASP N . 17276 1 477 . 1 1 49 49 LEU H H 1 7.523 1.000 . 1 . . . . 53 LEU HN . 17276 1 478 . 1 1 49 49 LEU HA H 1 4.177 1.000 . 1 . . . . 53 LEU HA . 17276 1 479 . 1 1 49 49 LEU HB2 H 1 1.020 0.880 . 2 . . . . 53 LEU HB1 . 17276 1 480 . 1 1 49 49 LEU HB3 H 1 2.202 0.880 . 2 . . . . 53 LEU HB2 . 17276 1 481 . 1 1 49 49 LEU HD11 H 1 0.605 0.440 . 2 . . . . 53 LEU HD11 . 17276 1 482 . 1 1 49 49 LEU HD12 H 1 0.605 0.440 . 2 . . . . 53 LEU HD12 . 17276 1 483 . 1 1 49 49 LEU HD13 H 1 0.605 0.440 . 2 . . . . 53 LEU HD13 . 17276 1 484 . 1 1 49 49 LEU HD21 H 1 0.792 0.440 . 2 . . . . 53 LEU HD21 . 17276 1 485 . 1 1 49 49 LEU HD22 H 1 0.792 0.440 . 2 . . . . 53 LEU HD22 . 17276 1 486 . 1 1 49 49 LEU HD23 H 1 0.792 0.440 . 2 . . . . 53 LEU HD23 . 17276 1 487 . 1 1 49 49 LEU HG H 1 1.867 0.880 . 1 . . . . 53 LEU HG . 17276 1 488 . 1 1 49 49 LEU CA C 13 53.818 1.000 . 1 . . . . 53 LEU CA . 17276 1 489 . 1 1 49 49 LEU CB C 13 40.002 1.000 . 1 . . . . 53 LEU CB . 17276 1 490 . 1 1 49 49 LEU CD1 C 13 23.291 1.000 . 2 . . . . 53 LEU CD1 . 17276 1 491 . 1 1 49 49 LEU CD2 C 13 26.212 1.000 . 2 . . . . 53 LEU CD2 . 17276 1 492 . 1 1 49 49 LEU CG C 13 24.524 1.000 . 1 . . . . 53 LEU CG . 17276 1 493 . 1 1 49 49 LEU N N 15 122.583 1.000 . 1 . . . . 53 LEU N . 17276 1 494 . 1 1 50 50 ILE H H 1 7.645 1.000 . 1 . . . . 54 ILE HN . 17276 1 495 . 1 1 50 50 ILE HA H 1 4.360 0.880 . 1 . . . . 54 ILE HA . 17276 1 496 . 1 1 50 50 ILE HB H 1 1.688 0.880 . 1 . . . . 54 ILE HB . 17276 1 497 . 1 1 50 50 ILE HD11 H 1 0.886 0.440 . 1 . . . . 54 ILE HD11 . 17276 1 498 . 1 1 50 50 ILE HD12 H 1 0.886 0.440 . 1 . . . . 54 ILE HD12 . 17276 1 499 . 1 1 50 50 ILE HD13 H 1 0.886 0.440 . 1 . . . . 54 ILE HD13 . 17276 1 500 . 1 1 50 50 ILE HG12 H 1 0.963 0.880 . 2 . . . . 54 ILE HG11 . 17276 1 501 . 1 1 50 50 ILE HG13 H 1 1.314 0.880 . 2 . . . . 54 ILE HG12 . 17276 1 502 . 1 1 50 50 ILE HG21 H 1 0.858 0.440 . 1 . . . . 54 ILE HG21 . 17276 1 503 . 1 1 50 50 ILE HG22 H 1 0.858 0.440 . 1 . . . . 54 ILE HG22 . 17276 1 504 . 1 1 50 50 ILE HG23 H 1 0.858 0.440 . 1 . . . . 54 ILE HG23 . 17276 1 505 . 1 1 50 50 ILE CA C 13 57.302 1.000 . 1 . . . . 54 ILE CA . 17276 1 506 . 1 1 50 50 ILE CB C 13 42.491 1.000 . 1 . . . . 54 ILE CB . 17276 1 507 . 1 1 50 50 ILE CD1 C 13 13.225 0.880 . 1 . . . . 54 ILE CD1 . 17276 1 508 . 1 1 50 50 ILE CG1 C 13 26.773 0.880 . 1 . . . . 54 ILE CG1 . 17276 1 509 . 1 1 50 50 ILE CG2 C 13 16.943 0.880 . 1 . . . . 54 ILE CG2 . 17276 1 510 . 1 1 50 50 ILE N N 15 124.089 1.000 . 1 . . . . 54 ILE N . 17276 1 511 . 1 1 51 51 PRO HA H 1 4.808 1.000 . 1 . . . . 55 PRO HA . 17276 1 512 . 1 1 51 51 PRO HB2 H 1 2.079 0.880 . 2 . . . . 55 PRO HB1 . 17276 1 513 . 1 1 51 51 PRO HB3 H 1 2.393 0.880 . 2 . . . . 55 PRO HB2 . 17276 1 514 . 1 1 51 51 PRO HD2 H 1 3.757 0.880 . 2 . . . . 55 PRO HD1 . 17276 1 515 . 1 1 51 51 PRO HD3 H 1 3.078 0.880 . 2 . . . . 55 PRO HD2 . 17276 1 516 . 1 1 51 51 PRO HG2 H 1 1.638 0.880 . 2 . . . . 55 PRO HG1 . 17276 1 517 . 1 1 51 51 PRO HG3 H 1 1.836 0.880 . 2 . . . . 55 PRO HG2 . 17276 1 518 . 1 1 51 51 PRO CA C 13 63.402 1.000 . 1 . . . . 55 PRO CA . 17276 1 519 . 1 1 51 51 PRO CB C 13 33.984 1.000 . 1 . . . . 55 PRO CB . 17276 1 520 . 1 1 51 51 PRO CD C 13 49.414 1.000 . 1 . . . . 55 PRO CD . 17276 1 521 . 1 1 51 51 PRO CG C 13 25.605 1.000 . 1 . . . . 55 PRO CG . 17276 1 522 . 1 1 52 52 ARG H H 1 8.554 1.000 . 1 . . . . 56 ARG HN . 17276 1 523 . 1 1 52 52 ARG HA H 1 3.805 1.000 . 1 . . . . 56 ARG HA . 17276 1 524 . 1 1 52 52 ARG HB2 H 1 1.780 0.880 . 2 . . . . 56 ARG HB1 . 17276 1 525 . 1 1 52 52 ARG HB3 H 1 1.844 0.880 . 2 . . . . 56 ARG HB2 . 17276 1 526 . 1 1 52 52 ARG HD2 H 1 3.272 0.440 . 2 . . . . 56 ARG HD1 . 17276 1 527 . 1 1 52 52 ARG HD3 H 1 3.272 0.440 . 2 . . . . 56 ARG HD2 . 17276 1 528 . 1 1 52 52 ARG HG2 H 1 1.585 0.880 . 2 . . . . 56 ARG HG1 . 17276 1 529 . 1 1 52 52 ARG HG3 H 1 1.765 0.880 . 2 . . . . 56 ARG HG2 . 17276 1 530 . 1 1 52 52 ARG CA C 13 58.076 1.000 . 1 . . . . 56 ARG CA . 17276 1 531 . 1 1 52 52 ARG CB C 13 29.458 1.000 . 1 . . . . 56 ARG CB . 17276 1 532 . 1 1 52 52 ARG CD C 13 42.488 1.000 . 1 . . . . 56 ARG CD . 17276 1 533 . 1 1 52 52 ARG CG C 13 26.770 1.000 . 1 . . . . 56 ARG CG . 17276 1 534 . 1 1 52 52 ARG N N 15 120.260 1.000 . 1 . . . . 56 ARG N . 17276 1 535 . 1 1 53 53 ASP H H 1 8.429 1.000 . 1 . . . . 57 ASP HN . 17276 1 536 . 1 1 53 53 ASP HA H 1 4.349 1.000 . 1 . . . . 57 ASP HA . 17276 1 537 . 1 1 53 53 ASP HB2 H 1 2.608 0.440 . 2 . . . . 57 ASP HB1 . 17276 1 538 . 1 1 53 53 ASP HB3 H 1 2.608 0.440 . 2 . . . . 57 ASP HB2 . 17276 1 539 . 1 1 53 53 ASP CA C 13 54.593 1.000 . 1 . . . . 57 ASP CA . 17276 1 540 . 1 1 53 53 ASP CB C 13 40.024 1.000 . 1 . . . . 57 ASP CB . 17276 1 541 . 1 1 53 53 ASP N N 15 112.675 1.000 . 1 . . . . 57 ASP N . 17276 1 542 . 1 1 54 54 ARG H H 1 6.915 1.000 . 1 . . . . 58 ARG HN . 17276 1 543 . 1 1 54 54 ARG HA H 1 4.341 1.000 . 1 . . . . 58 ARG HA . 17276 1 544 . 1 1 54 54 ARG HB2 H 1 1.531 0.880 . 2 . . . . 58 ARG HB1 . 17276 1 545 . 1 1 54 54 ARG HB3 H 1 1.685 0.880 . 2 . . . . 58 ARG HB2 . 17276 1 546 . 1 1 54 54 ARG HD2 H 1 3.123 0.440 . 2 . . . . 58 ARG HD1 . 17276 1 547 . 1 1 54 54 ARG HD3 H 1 3.123 0.440 . 2 . . . . 58 ARG HD2 . 17276 1 548 . 1 1 54 54 ARG HG2 H 1 1.461 0.440 . 2 . . . . 58 ARG HG1 . 17276 1 549 . 1 1 54 54 ARG HG3 H 1 1.461 0.440 . 2 . . . . 58 ARG HG2 . 17276 1 550 . 1 1 54 54 ARG CA C 13 53.967 1.000 . 1 . . . . 58 ARG CA . 17276 1 551 . 1 1 54 54 ARG CB C 13 29.779 1.000 . 1 . . . . 58 ARG CB . 17276 1 552 . 1 1 54 54 ARG CD C 13 43.348 1.000 . 1 . . . . 58 ARG CD . 17276 1 553 . 1 1 54 54 ARG CG C 13 26.931 1.000 . 1 . . . . 58 ARG CG . 17276 1 554 . 1 1 54 54 ARG N N 15 118.301 1.000 . 1 . . . . 58 ARG N . 17276 1 555 . 1 1 55 55 PRO HA H 1 4.265 1.000 . 1 . . . . 59 PRO HA . 17276 1 556 . 1 1 55 55 PRO HB2 H 1 1.614 0.880 . 2 . . . . 59 PRO HB1 . 17276 1 557 . 1 1 55 55 PRO HB3 H 1 1.966 0.880 . 2 . . . . 59 PRO HB2 . 17276 1 558 . 1 1 55 55 PRO HD2 H 1 3.432 0.880 . 2 . . . . 59 PRO HD1 . 17276 1 559 . 1 1 55 55 PRO HD3 H 1 3.292 0.880 . 2 . . . . 59 PRO HD2 . 17276 1 560 . 1 1 55 55 PRO HG2 H 1 1.808 0.880 . 2 . . . . 59 PRO HG1 . 17276 1 561 . 1 1 55 55 PRO HG3 H 1 1.913 0.880 . 2 . . . . 59 PRO HG2 . 17276 1 562 . 1 1 55 55 PRO CA C 13 63.201 1.000 . 1 . . . . 59 PRO CA . 17276 1 563 . 1 1 55 55 PRO CB C 13 32.761 1.000 . 1 . . . . 59 PRO CB . 17276 1 564 . 1 1 55 55 PRO CD C 13 49.484 1.000 . 1 . . . . 59 PRO CD . 17276 1 565 . 1 1 55 55 PRO CG C 13 28.486 1.000 . 1 . . . . 59 PRO CG . 17276 1 566 . 1 1 56 56 PHE H H 1 8.713 1.000 . 1 . . . . 60 PHE HN . 17276 1 567 . 1 1 56 56 PHE HA H 1 4.371 1.000 . 1 . . . . 60 PHE HA . 17276 1 568 . 1 1 56 56 PHE HB2 H 1 3.367 0.880 . 2 . . . . 60 PHE HB1 . 17276 1 569 . 1 1 56 56 PHE HB3 H 1 3.215 0.880 . 2 . . . . 60 PHE HB2 . 17276 1 570 . 1 1 56 56 PHE HD1 H 1 7.346 0.880 . 3 . . . . 60 PHE HD1 . 17276 1 571 . 1 1 56 56 PHE HD2 H 1 7.346 0.880 . 3 . . . . 60 PHE HD2 . 17276 1 572 . 1 1 56 56 PHE CA C 13 60.958 1.000 . 1 . . . . 60 PHE CA . 17276 1 573 . 1 1 56 56 PHE CB C 13 38.588 1.000 . 1 . . . . 60 PHE CB . 17276 1 574 . 1 1 56 56 PHE N N 15 128.987 1.000 . 1 . . . . 60 PHE N . 17276 1 575 . 1 1 57 57 VAL H H 1 8.352 1.000 . 1 . . . . 61 VAL HN . 17276 1 576 . 1 1 57 57 VAL HA H 1 3.984 1.000 . 1 . . . . 61 VAL HA . 17276 1 577 . 1 1 57 57 VAL HB H 1 2.121 1.000 . 1 . . . . 61 VAL HB . 17276 1 578 . 1 1 57 57 VAL HG11 H 1 0.857 0.440 . 2 . . . . 61 VAL HG11 . 17276 1 579 . 1 1 57 57 VAL HG12 H 1 0.857 0.440 . 2 . . . . 61 VAL HG12 . 17276 1 580 . 1 1 57 57 VAL HG13 H 1 0.857 0.440 . 2 . . . . 61 VAL HG13 . 17276 1 581 . 1 1 57 57 VAL HG21 H 1 0.932 0.440 . 2 . . . . 61 VAL HG21 . 17276 1 582 . 1 1 57 57 VAL HG22 H 1 0.932 0.440 . 2 . . . . 61 VAL HG22 . 17276 1 583 . 1 1 57 57 VAL HG23 H 1 0.932 0.440 . 2 . . . . 61 VAL HG23 . 17276 1 584 . 1 1 57 57 VAL CA C 13 63.488 1.000 . 1 . . . . 61 VAL CA . 17276 1 585 . 1 1 57 57 VAL CB C 13 31.780 1.000 . 1 . . . . 61 VAL CB . 17276 1 586 . 1 1 57 57 VAL CG1 C 13 20.640 1.000 . 2 . . . . 61 VAL CG1 . 17276 1 587 . 1 1 57 57 VAL CG2 C 13 21.233 1.000 . 2 . . . . 61 VAL CG2 . 17276 1 588 . 1 1 57 57 VAL N N 15 115.968 1.000 . 1 . . . . 61 VAL N . 17276 1 589 . 1 1 58 58 CYS H H 1 7.062 1.000 . 1 . . . . 62 CYS HN . 17276 1 590 . 1 1 58 58 CYS HA H 1 4.592 1.000 . 1 . . . . 62 CYS HA . 17276 1 591 . 1 1 58 58 CYS HB2 H 1 3.246 0.880 . 2 . . . . 62 CYS HB1 . 17276 1 592 . 1 1 58 58 CYS HB3 H 1 2.775 0.880 . 2 . . . . 62 CYS HB2 . 17276 1 593 . 1 1 58 58 CYS CA C 13 55.985 1.000 . 1 . . . . 62 CYS CA . 17276 1 594 . 1 1 58 58 CYS CB C 13 42.944 1.000 . 1 . . . . 62 CYS CB . 17276 1 595 . 1 1 58 58 CYS N N 15 115.044 1.000 . 1 . . . . 62 CYS N . 17276 1 596 . 1 1 59 59 ALA H H 1 7.569 1.000 . 1 . . . . 63 ALA HN . 17276 1 597 . 1 1 59 59 ALA HA H 1 4.601 1.000 . 1 . . . . 63 ALA HA . 17276 1 598 . 1 1 59 59 ALA HB1 H 1 1.332 0.440 . 1 . . . . 63 ALA HB1 . 17276 1 599 . 1 1 59 59 ALA HB2 H 1 1.332 0.440 . 1 . . . . 63 ALA HB2 . 17276 1 600 . 1 1 59 59 ALA HB3 H 1 1.332 0.440 . 1 . . . . 63 ALA HB3 . 17276 1 601 . 1 1 59 59 ALA CA C 13 50.529 1.000 . 1 . . . . 63 ALA CA . 17276 1 602 . 1 1 59 59 ALA CB C 13 18.296 1.000 . 1 . . . . 63 ALA CB . 17276 1 603 . 1 1 59 59 ALA N N 15 125.583 1.000 . 1 . . . . 63 ALA N . 17276 1 604 . 1 1 60 60 PRO HA H 1 4.495 1.000 . 1 . . . . 64 PRO HA . 17276 1 605 . 1 1 60 60 PRO HB2 H 1 1.945 0.880 . 2 . . . . 64 PRO HB1 . 17276 1 606 . 1 1 60 60 PRO HB3 H 1 2.304 0.880 . 2 . . . . 64 PRO HB2 . 17276 1 607 . 1 1 60 60 PRO HD2 H 1 3.622 0.880 . 2 . . . . 64 PRO HD1 . 17276 1 608 . 1 1 60 60 PRO HD3 H 1 3.805 0.880 . 2 . . . . 64 PRO HD2 . 17276 1 609 . 1 1 60 60 PRO HG2 H 1 2.006 0.880 . 2 . . . . 64 PRO HG1 . 17276 1 610 . 1 1 60 60 PRO CA C 13 62.985 1.000 . 1 . . . . 64 PRO CA . 17276 1 611 . 1 1 60 60 PRO CB C 13 32.100 1.000 . 1 . . . . 64 PRO CB . 17276 1 612 . 1 1 60 60 PRO CD C 13 50.537 1.000 . 1 . . . . 64 PRO CD . 17276 1 613 . 1 1 60 60 PRO CG C 13 27.364 1.000 . 1 . . . . 64 PRO CG . 17276 1 614 . 1 1 61 61 SER H H 1 8.248 1.000 . 1 . . . . 65 SER HN . 17276 1 615 . 1 1 61 61 SER HA H 1 4.375 0.880 . 1 . . . . 65 SER HA . 17276 1 616 . 1 1 61 61 SER HB2 H 1 4.201 0.440 . 2 . . . . 65 SER HB1 . 17276 1 617 . 1 1 61 61 SER HB3 H 1 4.201 0.440 . 2 . . . . 65 SER HB2 . 17276 1 618 . 1 1 61 61 SER CA C 13 61.913 1.000 . 1 . . . . 65 SER CA . 17276 1 619 . 1 1 61 61 SER CB C 13 69.817 1.000 . 1 . . . . 65 SER CB . 17276 1 620 . 1 1 61 61 SER N N 15 114.572 1.000 . 1 . . . . 65 SER N . 17276 1 621 . 1 1 62 62 SER H H 1 8.217 1.000 . 1 . . . . 66 SER HN . 17276 1 622 . 1 1 62 62 SER HB2 H 1 3.835 0.440 . 2 . . . . 66 SER HB1 . 17276 1 623 . 1 1 62 62 SER HB3 H 1 3.888 0.440 . 2 . . . . 66 SER HB2 . 17276 1 624 . 1 1 62 62 SER CA C 13 58.175 1.000 . 1 . . . . 66 SER CA . 17276 1 625 . 1 1 62 62 SER CB C 13 64.184 1.000 . 1 . . . . 66 SER CB . 17276 1 626 . 1 1 62 62 SER N N 15 117.060 1.000 . 1 . . . . 66 SER N . 17276 1 627 . 1 1 63 63 LYS H H 1 8.452 1.000 . 1 . . . . 67 LYS HN . 17276 1 628 . 1 1 63 63 LYS CA C 13 63.105 1.000 . 1 . . . . 67 LYS CA . 17276 1 629 . 1 1 63 63 LYS CB C 13 32.214 1.000 . 1 . . . . 67 LYS CB . 17276 1 630 . 1 1 63 63 LYS N N 15 123.308 1.000 . 1 . . . . 67 LYS N . 17276 1 631 . 1 1 64 64 THR H H 1 8.337 1.000 . 1 . . . . 68 THR HN . 17276 1 632 . 1 1 64 64 THR CA C 13 57.924 1.000 . 1 . . . . 68 THR CA . 17276 1 633 . 1 1 64 64 THR CB C 13 64.376 1.000 . 1 . . . . 68 THR CB . 17276 1 634 . 1 1 64 64 THR N N 15 115.466 1.000 . 1 . . . . 68 THR N . 17276 1 635 . 1 1 65 65 GLY H H 1 8.684 1.000 . 1 . . . . 69 GLY HN . 17276 1 636 . 1 1 65 65 GLY HA2 H 1 3.817 0.880 . 2 . . . . 69 GLY HA1 . 17276 1 637 . 1 1 65 65 GLY HA3 H 1 4.128 0.880 . 2 . . . . 69 GLY HA2 . 17276 1 638 . 1 1 65 65 GLY CA C 13 45.518 1.000 . 1 . . . . 69 GLY CA . 17276 1 639 . 1 1 65 65 GLY N N 15 113.209 1.000 . 1 . . . . 69 GLY N . 17276 1 640 . 1 1 66 66 SER H H 1 8.052 1.000 . 1 . . . . 70 SER HN . 17276 1 641 . 1 1 66 66 SER HA H 1 4.732 1.000 . 1 . . . . 70 SER HA . 17276 1 642 . 1 1 66 66 SER HB2 H 1 3.701 0.880 . 2 . . . . 70 SER HB1 . 17276 1 643 . 1 1 66 66 SER HB3 H 1 3.758 0.880 . 2 . . . . 70 SER HB2 . 17276 1 644 . 1 1 66 66 SER CA C 13 57.835 1.000 . 1 . . . . 70 SER CA . 17276 1 645 . 1 1 66 66 SER CB C 13 64.526 1.000 . 1 . . . . 70 SER CB . 17276 1 646 . 1 1 66 66 SER N N 15 115.141 1.000 . 1 . . . . 70 SER N . 17276 1 647 . 1 1 67 67 VAL H H 1 8.282 1.000 . 1 . . . . 71 VAL HN . 17276 1 648 . 1 1 67 67 VAL HA H 1 4.333 1.000 . 1 . . . . 71 VAL HA . 17276 1 649 . 1 1 67 67 VAL HB H 1 2.161 1.000 . 1 . . . . 71 VAL HB . 17276 1 650 . 1 1 67 67 VAL HG11 H 1 0.919 0.440 . 2 . . . . 71 VAL HG11 . 17276 1 651 . 1 1 67 67 VAL HG12 H 1 0.919 0.440 . 2 . . . . 71 VAL HG12 . 17276 1 652 . 1 1 67 67 VAL HG13 H 1 0.919 0.440 . 2 . . . . 71 VAL HG13 . 17276 1 653 . 1 1 67 67 VAL HG21 H 1 0.950 0.440 . 2 . . . . 71 VAL HG21 . 17276 1 654 . 1 1 67 67 VAL HG22 H 1 0.950 0.440 . 2 . . . . 71 VAL HG22 . 17276 1 655 . 1 1 67 67 VAL HG23 H 1 0.950 0.440 . 2 . . . . 71 VAL HG23 . 17276 1 656 . 1 1 67 67 VAL CA C 13 62.523 1.000 . 1 . . . . 71 VAL CA . 17276 1 657 . 1 1 67 67 VAL CB C 13 32.934 1.000 . 1 . . . . 71 VAL CB . 17276 1 658 . 1 1 67 67 VAL CG1 C 13 21.304 1.000 . 2 . . . . 71 VAL CG1 . 17276 1 659 . 1 1 67 67 VAL CG2 C 13 20.643 1.000 . 2 . . . . 71 VAL CG2 . 17276 1 660 . 1 1 67 67 VAL N N 15 122.604 1.000 . 1 . . . . 71 VAL N . 17276 1 661 . 1 1 68 68 THR H H 1 8.535 1.000 . 1 . . . . 72 THR HN . 17276 1 662 . 1 1 68 68 THR HA H 1 5.146 1.000 . 1 . . . . 72 THR HA . 17276 1 663 . 1 1 68 68 THR HB H 1 3.951 1.000 . 1 . . . . 72 THR HB . 17276 1 664 . 1 1 68 68 THR HG21 H 1 1.124 0.440 . 1 . . . . 72 THR HG21 . 17276 1 665 . 1 1 68 68 THR HG22 H 1 1.124 0.440 . 1 . . . . 72 THR HG22 . 17276 1 666 . 1 1 68 68 THR HG23 H 1 1.124 0.440 . 1 . . . . 72 THR HG23 . 17276 1 667 . 1 1 68 68 THR CA C 13 61.879 1.000 . 1 . . . . 72 THR CA . 17276 1 668 . 1 1 68 68 THR CB C 13 70.796 1.000 . 1 . . . . 72 THR CB . 17276 1 669 . 1 1 68 68 THR CG2 C 13 21.753 1.000 . 1 . . . . 72 THR CG2 . 17276 1 670 . 1 1 68 68 THR N N 15 122.552 1.000 . 1 . . . . 72 THR N . 17276 1 671 . 1 1 69 69 THR H H 1 8.717 1.000 . 1 . . . . 73 THR HN . 17276 1 672 . 1 1 69 69 THR HA H 1 4.477 1.000 . 1 . . . . 73 THR HA . 17276 1 673 . 1 1 69 69 THR HB H 1 3.968 1.000 . 1 . . . . 73 THR HB . 17276 1 674 . 1 1 69 69 THR HG21 H 1 1.116 0.440 . 1 . . . . 73 THR HG21 . 17276 1 675 . 1 1 69 69 THR HG22 H 1 1.116 0.440 . 1 . . . . 73 THR HG22 . 17276 1 676 . 1 1 69 69 THR HG23 H 1 1.116 0.440 . 1 . . . . 73 THR HG23 . 17276 1 677 . 1 1 69 69 THR CA C 13 61.915 1.000 . 1 . . . . 73 THR CA . 17276 1 678 . 1 1 69 69 THR CB C 13 70.244 1.000 . 1 . . . . 73 THR CB . 17276 1 679 . 1 1 69 69 THR CG2 C 13 21.068 1.000 . 1 . . . . 73 THR CG2 . 17276 1 680 . 1 1 69 69 THR N N 15 122.648 1.000 . 1 . . . . 73 THR N . 17276 1 681 . 1 1 70 70 THR H H 1 8.194 1.000 . 1 . . . . 74 THR HN . 17276 1 682 . 1 1 70 70 THR HA H 1 4.658 1.000 . 1 . . . . 74 THR HA . 17276 1 683 . 1 1 70 70 THR HB H 1 3.745 1.000 . 1 . . . . 74 THR HB . 17276 1 684 . 1 1 70 70 THR HG21 H 1 1.032 0.440 . 1 . . . . 74 THR HG21 . 17276 1 685 . 1 1 70 70 THR HG22 H 1 1.032 0.440 . 1 . . . . 74 THR HG22 . 17276 1 686 . 1 1 70 70 THR HG23 H 1 1.032 0.440 . 1 . . . . 74 THR HG23 . 17276 1 687 . 1 1 70 70 THR CA C 13 61.163 1.000 . 1 . . . . 74 THR CA . 17276 1 688 . 1 1 70 70 THR CB C 13 71.509 1.000 . 1 . . . . 74 THR CB . 17276 1 689 . 1 1 70 70 THR CG2 C 13 23.178 1.000 . 1 . . . . 74 THR CG2 . 17276 1 690 . 1 1 70 70 THR N N 15 119.816 1.000 . 1 . . . . 74 THR N . 17276 1 691 . 1 1 71 71 TYR H H 1 8.567 1.000 . 1 . . . . 75 TYR HN . 17276 1 692 . 1 1 71 71 TYR HA H 1 4.855 1.000 . 1 . . . . 75 TYR HA . 17276 1 693 . 1 1 71 71 TYR HB2 H 1 2.779 0.880 . 2 . . . . 75 TYR HB1 . 17276 1 694 . 1 1 71 71 TYR HB3 H 1 2.822 0.880 . 2 . . . . 75 TYR HB2 . 17276 1 695 . 1 1 71 71 TYR HD1 H 1 6.858 0.440 . 3 . . . . 75 TYR HD1 . 17276 1 696 . 1 1 71 71 TYR HD2 H 1 6.858 0.440 . 3 . . . . 75 TYR HD2 . 17276 1 697 . 1 1 71 71 TYR HE1 H 1 6.730 0.440 . 3 . . . . 75 TYR HE1 . 17276 1 698 . 1 1 71 71 TYR HE2 H 1 6.730 0.440 . 3 . . . . 75 TYR HE2 . 17276 1 699 . 1 1 71 71 TYR CA C 13 56.782 1.000 . 1 . . . . 75 TYR CA . 17276 1 700 . 1 1 71 71 TYR CB C 13 40.650 1.000 . 1 . . . . 75 TYR CB . 17276 1 701 . 1 1 71 71 TYR N N 15 124.080 1.000 . 1 . . . . 75 TYR N . 17276 1 702 . 1 1 72 72 CYS H H 1 8.281 1.000 . 1 . . . . 76 CYS HN . 17276 1 703 . 1 1 72 72 CYS HA H 1 5.581 1.000 . 1 . . . . 76 CYS HA . 17276 1 704 . 1 1 72 72 CYS HB2 H 1 3.037 0.880 . 2 . . . . 76 CYS HB1 . 17276 1 705 . 1 1 72 72 CYS HB3 H 1 3.415 0.880 . 2 . . . . 76 CYS HB2 . 17276 1 706 . 1 1 72 72 CYS CA C 13 52.240 1.000 . 1 . . . . 76 CYS CA . 17276 1 707 . 1 1 72 72 CYS CB C 13 46.618 1.000 . 1 . . . . 76 CYS CB . 17276 1 708 . 1 1 72 72 CYS N N 15 121.513 1.000 . 1 . . . . 76 CYS N . 17276 1 709 . 1 1 73 73 CYS H H 1 9.060 1.000 . 1 . . . . 77 CYS HN . 17276 1 710 . 1 1 73 73 CYS HA H 1 4.937 1.000 . 1 . . . . 77 CYS HA . 17276 1 711 . 1 1 73 73 CYS HB2 H 1 2.934 0.880 . 2 . . . . 77 CYS HB1 . 17276 1 712 . 1 1 73 73 CYS HB3 H 1 3.485 0.880 . 2 . . . . 77 CYS HB2 . 17276 1 713 . 1 1 73 73 CYS CA C 13 54.846 1.000 . 1 . . . . 77 CYS CA . 17276 1 714 . 1 1 73 73 CYS CB C 13 46.775 1.000 . 1 . . . . 77 CYS CB . 17276 1 715 . 1 1 73 73 CYS N N 15 117.314 1.000 . 1 . . . . 77 CYS N . 17276 1 716 . 1 1 74 74 ASN H H 1 8.395 1.000 . 1 . . . . 78 ASN HN . 17276 1 717 . 1 1 74 74 ASN HA H 1 5.006 1.000 . 1 . . . . 78 ASN HA . 17276 1 718 . 1 1 74 74 ASN HB2 H 1 2.503 0.880 . 2 . . . . 78 ASN HB1 . 17276 1 719 . 1 1 74 74 ASN HB3 H 1 3.050 0.880 . 2 . . . . 78 ASN HB2 . 17276 1 720 . 1 1 74 74 ASN HD21 H 1 6.712 0.880 . 2 . . . . 78 ASN HD21 . 17276 1 721 . 1 1 74 74 ASN HD22 H 1 7.490 0.880 . 2 . . . . 78 ASN HD22 . 17276 1 722 . 1 1 74 74 ASN CA C 13 52.408 1.000 . 1 . . . . 78 ASN CA . 17276 1 723 . 1 1 74 74 ASN CB C 13 39.250 1.000 . 1 . . . . 78 ASN CB . 17276 1 724 . 1 1 74 74 ASN N N 15 119.719 1.000 . 1 . . . . 78 ASN N . 17276 1 725 . 1 1 74 74 ASN ND2 N 15 110.166 1.000 . 1 . . . . 78 ASN ND2 . 17276 1 726 . 1 1 75 75 GLN H H 1 7.321 1.000 . 1 . . . . 79 GLN HN . 17276 1 727 . 1 1 75 75 GLN HA H 1 4.659 1.000 . 1 . . . . 79 GLN HA . 17276 1 728 . 1 1 75 75 GLN HB2 H 1 1.814 0.880 . 2 . . . . 79 GLN HB1 . 17276 1 729 . 1 1 75 75 GLN HB3 H 1 2.086 0.880 . 2 . . . . 79 GLN HB2 . 17276 1 730 . 1 1 75 75 GLN HE21 H 1 6.861 0.880 . 2 . . . . 79 GLN HE21 . 17276 1 731 . 1 1 75 75 GLN HE22 H 1 7.468 0.880 . 2 . . . . 79 GLN HE22 . 17276 1 732 . 1 1 75 75 GLN HG2 H 1 2.376 0.440 . 2 . . . . 79 GLN HG1 . 17276 1 733 . 1 1 75 75 GLN HG3 H 1 2.376 0.440 . 2 . . . . 79 GLN HG2 . 17276 1 734 . 1 1 75 75 GLN CA C 13 54.272 1.000 . 1 . . . . 79 GLN CA . 17276 1 735 . 1 1 75 75 GLN CB C 13 32.525 1.000 . 1 . . . . 79 GLN CB . 17276 1 736 . 1 1 75 75 GLN CG C 13 33.932 1.000 . 1 . . . . 79 GLN CG . 17276 1 737 . 1 1 75 75 GLN N N 15 118.600 1.000 . 1 . . . . 79 GLN N . 17276 1 738 . 1 1 75 75 GLN NE2 N 15 112.791 1.000 . 1 . . . . 79 GLN NE2 . 17276 1 739 . 1 1 76 76 ASP H H 1 8.439 1.000 . 1 . . . . 80 ASP HN . 17276 1 740 . 1 1 76 76 ASP HA H 1 4.894 1.000 . 1 . . . . 80 ASP HA . 17276 1 741 . 1 1 76 76 ASP HB2 H 1 2.323 0.880 . 2 . . . . 80 ASP HB1 . 17276 1 742 . 1 1 76 76 ASP HB3 H 1 2.460 0.880 . 2 . . . . 80 ASP HB2 . 17276 1 743 . 1 1 76 76 ASP CA C 13 55.518 1.000 . 1 . . . . 80 ASP CA . 17276 1 744 . 1 1 76 76 ASP CB C 13 40.590 1.000 . 1 . . . . 80 ASP CB . 17276 1 745 . 1 1 76 76 ASP N N 15 122.190 1.000 . 1 . . . . 80 ASP N . 17276 1 746 . 1 1 77 77 HIS H H 1 9.541 1.000 . 1 . . . . 81 HIS HN . 17276 1 747 . 1 1 77 77 HIS HA H 1 3.748 1.000 . 1 . . . . 81 HIS HA . 17276 1 748 . 1 1 77 77 HIS HB2 H 1 3.118 0.880 . 2 . . . . 81 HIS HB1 . 17276 1 749 . 1 1 77 77 HIS HB3 H 1 3.263 0.880 . 2 . . . . 81 HIS HB2 . 17276 1 750 . 1 1 77 77 HIS HD2 H 1 7.200 0.880 . 1 . . . . 81 HIS HD2 . 17276 1 751 . 1 1 77 77 HIS CA C 13 59.192 1.000 . 1 . . . . 81 HIS CA . 17276 1 752 . 1 1 77 77 HIS CB C 13 28.375 1.000 . 1 . . . . 81 HIS CB . 17276 1 753 . 1 1 77 77 HIS N N 15 114.600 1.000 . 1 . . . . 81 HIS N . 17276 1 754 . 1 1 78 78 CYS H H 1 8.229 1.000 . 1 . . . . 82 CYS HN . 17276 1 755 . 1 1 78 78 CYS HA H 1 4.570 1.000 . 1 . . . . 82 CYS HA . 17276 1 756 . 1 1 78 78 CYS HB2 H 1 3.500 0.880 . 2 . . . . 82 CYS HB1 . 17276 1 757 . 1 1 78 78 CYS HB3 H 1 3.560 0.880 . 2 . . . . 82 CYS HB2 . 17276 1 758 . 1 1 78 78 CYS CA C 13 57.287 1.000 . 1 . . . . 82 CYS CA . 17276 1 759 . 1 1 78 78 CYS CB C 13 46.979 1.000 . 1 . . . . 82 CYS CB . 17276 1 760 . 1 1 78 78 CYS N N 15 114.259 1.000 . 1 . . . . 82 CYS N . 17276 1 761 . 1 1 79 79 ASN H H 1 9.068 1.000 . 1 . . . . 83 ASN HN . 17276 1 762 . 1 1 79 79 ASN HA H 1 4.518 1.000 . 1 . . . . 83 ASN HA . 17276 1 763 . 1 1 79 79 ASN HB2 H 1 2.300 0.880 . 2 . . . . 83 ASN HB1 . 17276 1 764 . 1 1 79 79 ASN HB3 H 1 2.850 0.880 . 2 . . . . 83 ASN HB2 . 17276 1 765 . 1 1 79 79 ASN CA C 13 53.163 1.000 . 1 . . . . 83 ASN CA . 17276 1 766 . 1 1 79 79 ASN CB C 13 36.429 1.000 . 1 . . . . 83 ASN CB . 17276 1 767 . 1 1 79 79 ASN N N 15 119.740 1.000 . 1 . . . . 83 ASN N . 17276 1 768 . 1 1 80 80 LYS H H 1 7.561 1.000 . 1 . . . . 84 LYS HN . 17276 1 769 . 1 1 80 80 LYS HA H 1 4.160 1.000 . 1 . . . . 84 LYS HA . 17276 1 770 . 1 1 80 80 LYS HB2 H 1 1.389 0.880 . 2 . . . . 84 LYS HB1 . 17276 1 771 . 1 1 80 80 LYS HB3 H 1 1.769 0.880 . 2 . . . . 84 LYS HB2 . 17276 1 772 . 1 1 80 80 LYS HD2 H 1 1.327 0.880 . 2 . . . . 84 LYS HD1 . 17276 1 773 . 1 1 80 80 LYS HD3 H 1 1.367 0.880 . 2 . . . . 84 LYS HD2 . 17276 1 774 . 1 1 80 80 LYS HE2 H 1 2.609 0.440 . 2 . . . . 84 LYS HE1 . 17276 1 775 . 1 1 80 80 LYS HE3 H 1 2.609 0.440 . 2 . . . . 84 LYS HE2 . 17276 1 776 . 1 1 80 80 LYS HG2 H 1 0.740 0.880 . 2 . . . . 84 LYS HG1 . 17276 1 777 . 1 1 80 80 LYS HG3 H 1 0.966 0.880 . 2 . . . . 84 LYS HG2 . 17276 1 778 . 1 1 80 80 LYS CA C 13 55.593 1.000 . 1 . . . . 84 LYS CA . 17276 1 779 . 1 1 80 80 LYS CB C 13 33.728 1.000 . 1 . . . . 84 LYS CB . 17276 1 780 . 1 1 80 80 LYS CD C 13 29.072 1.000 . 1 . . . . 84 LYS CD . 17276 1 781 . 1 1 80 80 LYS CE C 13 41.948 1.000 . 1 . . . . 84 LYS CE . 17276 1 782 . 1 1 80 80 LYS CG C 13 24.577 0.440 . 1 . . . . 84 LYS CG . 17276 1 783 . 1 1 80 80 LYS N N 15 121.616 1.000 . 1 . . . . 84 LYS N . 17276 1 784 . 1 1 81 81 ILE H H 1 7.953 1.000 . 1 . . . . 85 ILE HN . 17276 1 785 . 1 1 81 81 ILE HA H 1 4.162 1.000 . 1 . . . . 85 ILE HA . 17276 1 786 . 1 1 81 81 ILE HB H 1 1.571 1.000 . 1 . . . . 85 ILE HB . 17276 1 787 . 1 1 81 81 ILE HD11 H 1 0.512 0.440 . 1 . . . . 85 ILE HD11 . 17276 1 788 . 1 1 81 81 ILE HD12 H 1 0.512 0.440 . 1 . . . . 85 ILE HD12 . 17276 1 789 . 1 1 81 81 ILE HD13 H 1 0.512 0.440 . 1 . . . . 85 ILE HD13 . 17276 1 790 . 1 1 81 81 ILE HG12 H 1 0.901 0.880 . 2 . . . . 85 ILE HG11 . 17276 1 791 . 1 1 81 81 ILE HG13 H 1 1.149 0.880 . 2 . . . . 85 ILE HG12 . 17276 1 792 . 1 1 81 81 ILE HG21 H 1 0.669 0.440 . 1 . . . . 85 ILE HG21 . 17276 1 793 . 1 1 81 81 ILE HG22 H 1 0.669 0.440 . 1 . . . . 85 ILE HG22 . 17276 1 794 . 1 1 81 81 ILE HG23 H 1 0.669 0.440 . 1 . . . . 85 ILE HG23 . 17276 1 795 . 1 1 81 81 ILE CA C 13 59.853 1.000 . 1 . . . . 85 ILE CA . 17276 1 796 . 1 1 81 81 ILE CB C 13 39.807 1.000 . 1 . . . . 85 ILE CB . 17276 1 797 . 1 1 81 81 ILE CD1 C 13 13.009 1.000 . 1 . . . . 85 ILE CD1 . 17276 1 798 . 1 1 81 81 ILE CG1 C 13 26.731 1.000 . 1 . . . . 85 ILE CG1 . 17276 1 799 . 1 1 81 81 ILE CG2 C 13 17.333 1.000 . 1 . . . . 85 ILE CG2 . 17276 1 800 . 1 1 81 81 ILE N N 15 123.052 1.000 . 1 . . . . 85 ILE N . 17276 1 801 . 1 1 82 82 GLU H H 1 8.289 1.000 . 1 . . . . 86 GLU HN . 17276 1 802 . 1 1 82 82 GLU HA H 1 4.227 1.000 . 1 . . . . 86 GLU HA . 17276 1 803 . 1 1 82 82 GLU HB2 H 1 1.724 0.880 . 2 . . . . 86 GLU HB1 . 17276 1 804 . 1 1 82 82 GLU HB3 H 1 1.839 0.880 . 2 . . . . 86 GLU HB2 . 17276 1 805 . 1 1 82 82 GLU HG2 H 1 2.011 0.880 . 2 . . . . 86 GLU HG1 . 17276 1 806 . 1 1 82 82 GLU HG3 H 1 2.076 0.880 . 2 . . . . 86 GLU HG2 . 17276 1 807 . 1 1 82 82 GLU CA C 13 55.440 1.000 . 1 . . . . 86 GLU CA . 17276 1 808 . 1 1 82 82 GLU CB C 13 30.241 1.000 . 1 . . . . 86 GLU CB . 17276 1 809 . 1 1 82 82 GLU CG C 13 35.969 1.000 . 1 . . . . 86 GLU CG . 17276 1 810 . 1 1 82 82 GLU N N 15 125.031 1.000 . 1 . . . . 86 GLU N . 17276 1 811 . 1 1 83 83 LEU H H 1 8.334 1.000 . 1 . . . . 87 LEU HN . 17276 1 812 . 1 1 83 83 LEU HA H 1 4.482 1.000 . 1 . . . . 87 LEU HA . 17276 1 813 . 1 1 83 83 LEU HB2 H 1 1.437 0.880 . 2 . . . . 87 LEU HB1 . 17276 1 814 . 1 1 83 83 LEU HB3 H 1 1.512 0.880 . 2 . . . . 87 LEU HB2 . 17276 1 815 . 1 1 83 83 LEU HD11 H 1 0.720 0.440 . 2 . . . . 87 LEU HD11 . 17276 1 816 . 1 1 83 83 LEU HD12 H 1 0.720 0.440 . 2 . . . . 87 LEU HD12 . 17276 1 817 . 1 1 83 83 LEU HD13 H 1 0.720 0.440 . 2 . . . . 87 LEU HD13 . 17276 1 818 . 1 1 83 83 LEU HD21 H 1 0.775 0.440 . 2 . . . . 87 LEU HD21 . 17276 1 819 . 1 1 83 83 LEU HD22 H 1 0.775 0.440 . 2 . . . . 87 LEU HD22 . 17276 1 820 . 1 1 83 83 LEU HD23 H 1 0.775 0.440 . 2 . . . . 87 LEU HD23 . 17276 1 821 . 1 1 83 83 LEU CA C 13 52.757 1.000 . 1 . . . . 87 LEU CA . 17276 1 822 . 1 1 83 83 LEU CB C 13 41.576 1.000 . 1 . . . . 87 LEU CB . 17276 1 823 . 1 1 83 83 LEU CD1 C 13 23.165 1.000 . 2 . . . . 87 LEU CD1 . 17276 1 824 . 1 1 83 83 LEU CD2 C 13 25.268 1.000 . 2 . . . . 87 LEU CD2 . 17276 1 825 . 1 1 83 83 LEU N N 15 126.122 1.000 . 1 . . . . 87 LEU N . 17276 1 826 . 1 1 84 84 PRO HA H 1 4.456 1.000 . 1 . . . . 88 PRO HA . 17276 1 827 . 1 1 84 84 PRO HB2 H 1 1.888 0.880 . 2 . . . . 88 PRO HB1 . 17276 1 828 . 1 1 84 84 PRO HB3 H 1 2.259 0.880 . 2 . . . . 88 PRO HB2 . 17276 1 829 . 1 1 84 84 PRO HD2 H 1 3.728 0.880 . 2 . . . . 88 PRO HD1 . 17276 1 830 . 1 1 84 84 PRO HD3 H 1 3.538 0.880 . 2 . . . . 88 PRO HD2 . 17276 1 831 . 1 1 84 84 PRO HG2 H 1 1.960 0.880 . 2 . . . . 88 PRO HG1 . 17276 1 832 . 1 1 84 84 PRO CA C 13 62.944 1.000 . 1 . . . . 88 PRO CA . 17276 1 833 . 1 1 84 84 PRO CB C 13 32.037 1.000 . 1 . . . . 88 PRO CB . 17276 1 834 . 1 1 84 84 PRO CD C 13 50.430 1.000 . 1 . . . . 88 PRO CD . 17276 1 835 . 1 1 84 84 PRO CG C 13 27.303 1.000 . 1 . . . . 88 PRO CG . 17276 1 836 . 1 1 85 85 THR H H 1 8.167 1.000 . 1 . . . . 89 THR HN . 17276 1 837 . 1 1 85 85 THR HA H 1 4.218 1.000 . 1 . . . . 89 THR HA . 17276 1 838 . 1 1 85 85 THR HB H 1 4.206 1.000 . 1 . . . . 89 THR HB . 17276 1 839 . 1 1 85 85 THR CA C 13 61.836 1.000 . 1 . . . . 89 THR CA . 17276 1 840 . 1 1 85 85 THR CB C 13 69.760 1.000 . 1 . . . . 89 THR CB . 17276 1 841 . 1 1 85 85 THR N N 15 113.982 1.000 . 1 . . . . 89 THR N . 17276 1 842 . 1 1 86 86 THR H H 1 8.127 1.000 . 1 . . . . 90 THR HN . 17276 1 843 . 1 1 86 86 THR HA H 1 4.412 1.000 . 1 . . . . 90 THR HA . 17276 1 844 . 1 1 86 86 THR HB H 1 4.198 1.000 . 1 . . . . 90 THR HB . 17276 1 845 . 1 1 86 86 THR HG21 H 1 1.163 0.440 . 1 . . . . 90 THR HG21 . 17276 1 846 . 1 1 86 86 THR HG22 H 1 1.163 0.440 . 1 . . . . 90 THR HG21 . 17276 1 847 . 1 1 86 86 THR HG23 H 1 1.163 0.440 . 1 . . . . 90 THR HG21 . 17276 1 848 . 1 1 86 86 THR CA C 13 61.750 1.000 . 1 . . . . 90 THR CA . 17276 1 849 . 1 1 86 86 THR CB C 13 69.823 1.000 . 1 . . . . 90 THR CB . 17276 1 850 . 1 1 86 86 THR CG2 C 13 21.686 1.000 . 1 . . . . 90 THR CG2 . 17276 1 851 . 1 1 86 86 THR N N 15 117.154 1.000 . 1 . . . . 90 THR N . 17276 1 852 . 1 1 87 87 VAL H H 1 7.737 1.000 . 1 . . . . 91 VAL HN . 17276 1 853 . 1 1 87 87 VAL HA H 1 4.025 0.880 . 1 . . . . 91 VAL HA . 17276 1 854 . 1 1 87 87 VAL HB H 1 2.057 1.000 . 1 . . . . 91 VAL HB . 17276 1 855 . 1 1 87 87 VAL HG21 H 1 0.851 0.440 . 2 . . . . 91 VAL HG21 . 17276 1 856 . 1 1 87 87 VAL HG22 H 1 0.851 0.440 . 2 . . . . 91 VAL HG22 . 17276 1 857 . 1 1 87 87 VAL HG23 H 1 0.851 0.440 . 2 . . . . 91 VAL HG23 . 17276 1 858 . 1 1 87 87 VAL CA C 13 63.704 1.000 . 1 . . . . 91 VAL CA . 17276 1 859 . 1 1 87 87 VAL CB C 13 33.162 0.440 . 1 . . . . 91 VAL CB . 17276 1 860 . 1 1 87 87 VAL CG2 C 13 20.042 1.000 . 2 . . . . 91 VAL CG2 . 17276 1 861 . 1 1 87 87 VAL N N 15 126.423 1.000 . 1 . . . . 91 VAL N . 17276 1 stop_ save_