data_5787 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5787 _Entry.Title ; 1H, 13C and 15N resonance assignments and secondary structure of the cytotoxic protein RNase 3 from oocytes of bullfrog Rana catesbeiana ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-04-29 _Entry.Accession_date 2003-04-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yuan-Chao Lou . . . 5787 2 Yun-Ru Pan . . . 5787 3 Yi-Hsuan Ho . . . 5787 4 You-Di Liao . . . 5787 5 Chinpan Chen . . . 5787 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5787 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 754 5787 '13C chemical shifts' 484 5787 '15N chemical shifts' 108 5787 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 3 . . 2008-07-17 . update BMRB 'Updating non-standard residue' 5787 2 . . 2004-09-29 . update author 'update of chemical shift table' 5787 1 . . 2003-09-05 . original author 'original release' 5787 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5787 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignments and secondary structure of the cytotoxic protein RNase 3 from oocytes of bullfrog Rana catesbeiana ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 3 _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 289 _Citation.Page_last 290 _Citation.Year 2003 _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 Yuan-Chao Lou . . . 5787 1 2 Yun-Ru Pan . . . 5787 1 3 Yi-Hsuan Ho . . . 5787 1 4 You-Di Liao . . . 5787 1 5 Chinpan Chen . . . 5787 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID antitumor 5787 1 bullfrog 5787 1 cytotoxicity 5787 1 lectin 5787 1 ribonuclease 5787 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RC-RNase_3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RC-RNase_3 _Assembly.Entry_ID 5787 _Assembly.ID 1 _Assembly.Name 'RC-RNase 3' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5787 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RC-RNase 3' 1 $RC-RNase_3 . . . native . . . . . 5787 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 19 19 SG . 1 . 1 CYS 68 68 SG . . . . . . . . . . 5787 1 2 disulfide single . 1 . 1 CYS 30 30 SG . 1 . 1 CYS 75 75 SG . . . . . . . . . . 5787 1 3 disulfide single . 1 . 1 CYS 48 48 SG . 1 . 1 CYS 90 90 SG . . . . . . . . . . 5787 1 4 disulfide single . 1 . 1 CYS 87 87 SG . 1 . 1 CYS 104 104 SG . . . . . . . . . . 5787 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'RC-RNase 3' system 5787 1 'RC-RNase 3' abbreviation 5787 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ribonulease 5787 1 antitumor 5787 1 'cytotoxic protein' 5787 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RC-RNase_3 _Entity.Sf_category entity _Entity.Sf_framecode RC-RNase_3 _Entity.Entry_ID 5787 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RC-RNase 3' _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 ; XDWETFQKKHLTDTKKVKCD VEMAKALFDCKKTNTFIYAL PGRVKALCKNIRDNTDVLSR DAFLLPQCDRIKLPCHYKLS SSTNTICITCVNQLPIHFAG VGSCP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 11876 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-03-24 _Entity.DB_query_revised_last_date 2007-10-08 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 . . PDB 1Z5F . 'A Chain A, Solution Structure Of The CytotoxicRc-Rnase 3 With A Pyroglutamate Residue At TheN-Terminus' . . . . . 100.00 105 100 100 2e-57 . . . . 5787 1 . . GenBank AAG31440.2 . 'AF242554_1 RC-RNase3 ribonucleaseprecursor [Rana catesbeiana]' . . . . . 82.03 128 100 100 2e-57 . . . . 5787 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RC-RNase 3' common 5787 1 'RC-RNase 3' abbreviation 5787 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 . PCA . 5787 1 2 . ASP . 5787 1 3 . TRP . 5787 1 4 . GLU . 5787 1 5 . THR . 5787 1 6 . PHE . 5787 1 7 . GLN . 5787 1 8 . LYS . 5787 1 9 . LYS . 5787 1 10 . HIS . 5787 1 11 . LEU . 5787 1 12 . THR . 5787 1 13 . ASP . 5787 1 14 . THR . 5787 1 15 . LYS . 5787 1 16 . LYS . 5787 1 17 . VAL . 5787 1 18 . LYS . 5787 1 19 . CYS . 5787 1 20 . ASP . 5787 1 21 . VAL . 5787 1 22 . GLU . 5787 1 23 . MET . 5787 1 24 . ALA . 5787 1 25 . LYS . 5787 1 26 . ALA . 5787 1 27 . LEU . 5787 1 28 . PHE . 5787 1 29 . ASP . 5787 1 30 . CYS . 5787 1 31 . LYS . 5787 1 32 . LYS . 5787 1 33 . THR . 5787 1 34 . ASN . 5787 1 35 . THR . 5787 1 36 . PHE . 5787 1 37 . ILE . 5787 1 38 . TYR . 5787 1 39 . ALA . 5787 1 40 . LEU . 5787 1 41 . PRO . 5787 1 42 . GLY . 5787 1 43 . ARG . 5787 1 44 . VAL . 5787 1 45 . LYS . 5787 1 46 . ALA . 5787 1 47 . LEU . 5787 1 48 . CYS . 5787 1 49 . LYS . 5787 1 50 . ASN . 5787 1 51 . ILE . 5787 1 52 . ARG . 5787 1 53 . ASP . 5787 1 54 . ASN . 5787 1 55 . THR . 5787 1 56 . ASP . 5787 1 57 . VAL . 5787 1 58 . LEU . 5787 1 59 . SER . 5787 1 60 . ARG . 5787 1 61 . ASP . 5787 1 62 . ALA . 5787 1 63 . PHE . 5787 1 64 . LEU . 5787 1 65 . LEU . 5787 1 66 . PRO . 5787 1 67 . GLN . 5787 1 68 . CYS . 5787 1 69 . ASP . 5787 1 70 . ARG . 5787 1 71 . ILE . 5787 1 72 . LYS . 5787 1 73 . LEU . 5787 1 74 . PRO . 5787 1 75 . CYS . 5787 1 76 . HIS . 5787 1 77 . TYR . 5787 1 78 . LYS . 5787 1 79 . LEU . 5787 1 80 . SER . 5787 1 81 . SER . 5787 1 82 . SER . 5787 1 83 . THR . 5787 1 84 . ASN . 5787 1 85 . THR . 5787 1 86 . ILE . 5787 1 87 . CYS . 5787 1 88 . ILE . 5787 1 89 . THR . 5787 1 90 . CYS . 5787 1 91 . VAL . 5787 1 92 . ASN . 5787 1 93 . GLN . 5787 1 94 . LEU . 5787 1 95 . PRO . 5787 1 96 . ILE . 5787 1 97 . HIS . 5787 1 98 . PHE . 5787 1 99 . ALA . 5787 1 100 . GLY . 5787 1 101 . VAL . 5787 1 102 . GLY . 5787 1 103 . SER . 5787 1 104 . CYS . 5787 1 105 . PRO . 5787 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 . PCA 1 1 5787 1 . ASP 2 2 5787 1 . TRP 3 3 5787 1 . GLU 4 4 5787 1 . THR 5 5 5787 1 . PHE 6 6 5787 1 . GLN 7 7 5787 1 . LYS 8 8 5787 1 . LYS 9 9 5787 1 . HIS 10 10 5787 1 . LEU 11 11 5787 1 . THR 12 12 5787 1 . ASP 13 13 5787 1 . THR 14 14 5787 1 . LYS 15 15 5787 1 . LYS 16 16 5787 1 . VAL 17 17 5787 1 . LYS 18 18 5787 1 . CYS 19 19 5787 1 . ASP 20 20 5787 1 . VAL 21 21 5787 1 . GLU 22 22 5787 1 . MET 23 23 5787 1 . ALA 24 24 5787 1 . LYS 25 25 5787 1 . ALA 26 26 5787 1 . LEU 27 27 5787 1 . PHE 28 28 5787 1 . ASP 29 29 5787 1 . CYS 30 30 5787 1 . LYS 31 31 5787 1 . LYS 32 32 5787 1 . THR 33 33 5787 1 . ASN 34 34 5787 1 . THR 35 35 5787 1 . PHE 36 36 5787 1 . ILE 37 37 5787 1 . TYR 38 38 5787 1 . ALA 39 39 5787 1 . LEU 40 40 5787 1 . PRO 41 41 5787 1 . GLY 42 42 5787 1 . ARG 43 43 5787 1 . VAL 44 44 5787 1 . LYS 45 45 5787 1 . ALA 46 46 5787 1 . LEU 47 47 5787 1 . CYS 48 48 5787 1 . LYS 49 49 5787 1 . ASN 50 50 5787 1 . ILE 51 51 5787 1 . ARG 52 52 5787 1 . ASP 53 53 5787 1 . ASN 54 54 5787 1 . THR 55 55 5787 1 . ASP 56 56 5787 1 . VAL 57 57 5787 1 . LEU 58 58 5787 1 . SER 59 59 5787 1 . ARG 60 60 5787 1 . ASP 61 61 5787 1 . ALA 62 62 5787 1 . PHE 63 63 5787 1 . LEU 64 64 5787 1 . LEU 65 65 5787 1 . PRO 66 66 5787 1 . GLN 67 67 5787 1 . CYS 68 68 5787 1 . ASP 69 69 5787 1 . ARG 70 70 5787 1 . ILE 71 71 5787 1 . LYS 72 72 5787 1 . LEU 73 73 5787 1 . PRO 74 74 5787 1 . CYS 75 75 5787 1 . HIS 76 76 5787 1 . TYR 77 77 5787 1 . LYS 78 78 5787 1 . LEU 79 79 5787 1 . SER 80 80 5787 1 . SER 81 81 5787 1 . SER 82 82 5787 1 . THR 83 83 5787 1 . ASN 84 84 5787 1 . THR 85 85 5787 1 . ILE 86 86 5787 1 . CYS 87 87 5787 1 . ILE 88 88 5787 1 . THR 89 89 5787 1 . CYS 90 90 5787 1 . VAL 91 91 5787 1 . ASN 92 92 5787 1 . GLN 93 93 5787 1 . LEU 94 94 5787 1 . PRO 95 95 5787 1 . ILE 96 96 5787 1 . HIS 97 97 5787 1 . PHE 98 98 5787 1 . ALA 99 99 5787 1 . GLY 100 100 5787 1 . VAL 101 101 5787 1 . GLY 102 102 5787 1 . SER 103 103 5787 1 . CYS 104 104 5787 1 . PRO 105 105 5787 1 stop_ save_ save_PCA _Entity.Sf_category entity _Entity.Sf_framecode PCA _Entity.Entry_ID 5787 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PCA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID PCA _Entity.Nonpolymer_comp_label $chem_comp_PCA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . PCA . 5787 2 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 5787 _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 $RC-RNase_3 . 8400 organism . 'Rana catesbeiana' bullfrog . . Eukaryota Metazoa Rana catesbeiana . . . oocyte . . . . . . . . . . . . . . . . . 5787 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 5787 _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 $RC-RNase_3 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET-11d . . . . . . 5787 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PCA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PCA _Chem_comp.Entry_ID 5787 _Chem_comp.ID PCA _Chem_comp.Provenance . _Chem_comp.Name 'PYROGLUTAMIC ACID' _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code PCA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces PCC _Chem_comp.One_letter_code E _Chem_comp.Three_letter_code PCA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID GLU _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H7 N O3' _Chem_comp.Formula_weight 129.114 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 27 14:00:50 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID O=C(O)C1NC(=O)CC1 SMILES ACDLabs 10.04 5787 PCA OC(=O)[C@@H]1CCC(=O)N1 SMILES_CANONICAL CACTVS 3.341 5787 PCA OC(=O)[CH]1CCC(=O)N1 SMILES CACTVS 3.341 5787 PCA C1CC(=O)N[C@@H]1C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5787 PCA C1CC(=O)NC1C(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 5787 PCA InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 InChI InChI 1.03 5787 PCA ODHCTXKNWHHXJC-VKHMYHEASA-N InChIKey InChI 1.03 5787 PCA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 5-oxo-L-proline 'SYSTEMATIC NAME' ACDLabs 10.04 5787 PCA '(2S)-5-oxopyrrolidine-2-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5787 PCA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . 38.821 . 57.719 . 67.990 . 0.713 0.531 -0.633 1 . 5787 PCA CA . CA . . C . . S 0 . . . . no no . . . . 38.455 . 58.883 . 67.183 . -0.328 0.539 0.400 2 . 5787 PCA CB . CB . . C . . N 0 . . . . no no . . . . 37.375 . 59.639 . 67.947 . -1.455 -0.368 -0.140 3 . 5787 PCA CG . CG . . C . . N 0 . . . . no no . . . . 37.746 . 59.312 . 69.375 . -1.232 -0.272 -1.667 4 . 5787 PCA CD . CD . . C . . N 0 . . . . no no . . . . 38.398 . 57.930 . 69.250 . 0.231 0.082 -1.807 5 . 5787 PCA OE . OE . . O . . N 0 . . . . no no . . . . 38.575 . 57.133 . 70.197 . 0.876 -0.019 -2.829 6 . 5787 PCA C . C . . C . . N 0 . . . . no no . . . . 39.640 . 59.813 . 66.967 . 0.214 -0.015 1.691 7 . 5787 PCA O . O . . O . . N 0 . . . . no no . . . . 40.560 . 59.863 . 67.790 . 1.122 -0.812 1.672 8 . 5787 PCA OXT . OXT . . O . . N 0 . . . . no yes . . . . 39.626 . 60.540 . 65.853 . -0.311 0.374 2.863 9 . 5787 PCA H . H . . H . . N 0 . . . . no no . . . . 39.309 . 56.868 . 67.709 . 1.631 0.810 -0.489 10 . 5787 PCA HA . HA . . H . . N 0 . . . . no no . . . . 38.103 . 58.540 . 66.181 . -0.700 1.552 0.552 11 . 5787 PCA HB2 . HB2 . . H . . N 0 . . . . no no . . . . 37.293 . 60.725 . 67.710 . -1.331 -1.393 0.208 12 . 5787 PCA HB3 . HB3 . . H . . N 0 . . . . no no . . . . 36.325 . 59.396 . 67.657 . -2.435 0.019 0.136 13 . 5787 PCA HG2 . HG2 . . H . . N 0 . . . . no no . . . . 38.375 . 60.080 . 69.881 . -1.439 -1.230 -2.144 14 . 5787 PCA HG3 . HG3 . . H . . N 0 . . . . no no . . . . 36.900 . 59.365 . 70.100 . -1.857 0.511 -2.095 15 . 5787 PCA HXT . HXT . . H . . N 0 . . . . no yes . . . . 40.365 . 61.120 . 65.718 . 0.036 0.018 3.692 16 . 5787 PCA stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 5787 PCA 2 . SING N CD no N 2 . 5787 PCA 3 . SING N H no N 3 . 5787 PCA 4 . SING CA CB no N 4 . 5787 PCA 5 . SING CA C no N 5 . 5787 PCA 6 . SING CA HA no N 6 . 5787 PCA 7 . SING CB CG no N 7 . 5787 PCA 8 . SING CB HB2 no N 8 . 5787 PCA 9 . SING CB HB3 no N 9 . 5787 PCA 10 . SING CG CD no N 10 . 5787 PCA 11 . SING CG HG2 no N 11 . 5787 PCA 12 . SING CG HG3 no N 12 . 5787 PCA 13 . DOUB CD OE no N 13 . 5787 PCA 14 . DOUB C O no N 14 . 5787 PCA 15 . SING C OXT no N 15 . 5787 PCA 16 . SING OXT HXT no N 16 . 5787 PCA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5787 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RC-RNase 3' '[U-13C; U-15N]' . . 1 $RC-RNase_3 . . 1.0 . . mM . . . . 5787 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5787 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RC-RNase 3' . . . 1 $RC-RNase_3 . . 1.5 . . mM . . . . 5787 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition _Sample_condition_list.Entry_ID 5787 _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 pH 3.5 0.1 n/a 5787 1 temperature 310 2 K 5787 1 stop_ save_ ############################ # Computer software used # ############################ save_Xwinnmr _Software.Sf_category software _Software.Sf_framecode Xwinnmr _Software.Entry_ID 5787 _Software.ID 1 _Software.Name Xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5787 1 stop_ save_ save_Aurelia _Software.Sf_category software _Software.Sf_framecode Aurelia _Software.Entry_ID 5787 _Software.ID 2 _Software.Name Aurelia _Software.Version 2.1.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 5787 2 stop_ save_ save_Nmrpipe _Software.Sf_category software _Software.Sf_framecode Nmrpipe _Software.Entry_ID 5787 _Software.ID 3 _Software.Name Nmrpipe _Software.Version 2.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5787 3 stop_ save_ save_Nmrview _Software.Sf_category software _Software.Sf_framecode Nmrview _Software.Entry_ID 5787 _Software.ID 4 _Software.Name Nmrview _Software.Version 5.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 5787 4 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 5787 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 5787 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5787 _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 DRX . 600 . . . 5787 1 2 spectrometer_2 Bruker Avance . 500 . . . 5787 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 5787 _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 TOCSY' . . . . . . . . . . . . . . . . 1 $sample_condition . . . . . . . . . . . . . . . . . . . . . 5787 1 2 '2D DQF-COSY' . . . . . . . . . . . . . . . . 1 $sample_condition . . . . . . . . . . . . . . . . . . . . . 5787 1 3 '2D NOESY' . . . . . . . . . . . . . . . . 1 $sample_condition . . . . . . . . . . . . . . . . . . . . . 5787 1 4 '2D 1H-13C HSQC' . . . . . . . . . . . . . . . . 1 $sample_condition . . . . . . . . . . . . . . . . . . . . . 5787 1 5 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $sample_condition . . . . . . . . . . . . . . . . . . . . . 5787 1 6 '3D HNCACB' . . . . . . . . . . . . . . . . 1 $sample_condition . . . . . . . . . . . . . . . . . . . . . 5787 1 7 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . 1 $sample_condition . . . . . . . . . . . . . . . . . . . . . 5787 1 8 '3D HNCO' . . . . . . . . . . . . . . . . 1 $sample_condition . . . . . . . . . . . . . . . . . . . . . 5787 1 9 '3D HN(CA)CO' . . . . . . . . . . . . . . . . 1 $sample_condition . . . . . . . . . . . . . . . . . . . . . 5787 1 10 '3D 15N NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $sample_condition . . . . . . . . . . . . . . . . . . . . . 5787 1 11 '3D 15N TOCSY-HSQC' . . . . . . . . . . . . . . . . 1 $sample_condition . . . . . . . . . . . . . . . . . . . . . 5787 1 12 '3D C(CO)NH' . . . . . . . . . . . . . . . . 1 $sample_condition . . . . . . . . . . . . . . . . . . . . . 5787 1 13 '3D HC(CO)NH' . . . . . . . . . . . . . . . . 1 $sample_condition . . . . . . . . . . . . . . . . . . . . . 5787 1 14 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . 1 $sample_condition . . . . . . . . . . . . . . . . . . . . . 5787 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5787 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 5787 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5787 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5787 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_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_1 _Assigned_chem_shift_list.Entry_ID 5787 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5787 1 . . 2 $sample_2 . 5787 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PCA H H 1 8.379 0.02 . 1 . . . . . . . . 5787 1 2 . 1 1 1 1 PCA HA H 1 4.111 0.02 . 1 . . . . . . . . 5787 1 3 . 1 1 1 1 PCA HB2 H 1 2.834 0.02 . 1 . . . . . . . . 5787 1 4 . 1 1 1 1 PCA HB3 H 1 2.302 0.02 . 1 . . . . . . . . 5787 1 5 . 1 1 1 1 PCA HG2 H 1 2.644 0.02 . 2 . . . . . . . . 5787 1 6 . 1 1 1 1 PCA HG3 H 1 2.644 0.02 . 2 . . . . . . . . 5787 1 7 . 1 1 1 1 PCA C C 13 175.880 0.2 . 1 . . . . . . . . 5787 1 8 . 1 1 1 1 PCA CA C 13 60.337 0.2 . 1 . . . . . . . . 5787 1 9 . 1 1 1 1 PCA CB C 13 27.906 0.2 . 1 . . . . . . . . 5787 1 10 . 1 1 1 1 PCA CG C 13 31.404 0.2 . 1 . . . . . . . . 5787 1 11 . 1 1 1 1 PCA N N 15 124.279 0.1 . 1 . . . . . . . . 5787 1 12 . 1 1 2 2 ASP H H 1 7.959 0.02 . 1 . . . . . . . . 5787 1 13 . 1 1 2 2 ASP HA H 1 4.746 0.02 . 1 . . . . . . . . 5787 1 14 . 1 1 2 2 ASP HB2 H 1 3.154 0.02 . 1 . . . . . . . . 5787 1 15 . 1 1 2 2 ASP HB3 H 1 3.154 0.02 . 1 . . . . . . . . 5787 1 16 . 1 1 2 2 ASP C C 13 174.728 0.2 . 1 . . . . . . . . 5787 1 17 . 1 1 2 2 ASP CA C 13 52.070 0.2 . 1 . . . . . . . . 5787 1 18 . 1 1 2 2 ASP CB C 13 42.126 0.2 . 1 . . . . . . . . 5787 1 19 . 1 1 2 2 ASP N N 15 114.136 0.1 . 1 . . . . . . . . 5787 1 20 . 1 1 3 3 TRP H H 1 9.602 0.02 . 1 . . . . . . . . 5787 1 21 . 1 1 3 3 TRP HA H 1 5.635 0.02 . 1 . . . . . . . . 5787 1 22 . 1 1 3 3 TRP HB2 H 1 3.526 0.02 . 1 . . . . . . . . 5787 1 23 . 1 1 3 3 TRP HB3 H 1 3.317 0.02 . 1 . . . . . . . . 5787 1 24 . 1 1 3 3 TRP HD1 H 1 7.384 0.02 . 1 . . . . . . . . 5787 1 25 . 1 1 3 3 TRP HE1 H 1 10.193 0.02 . 1 . . . . . . . . 5787 1 26 . 1 1 3 3 TRP HE3 H 1 8.290 0.02 . 1 . . . . . . . . 5787 1 27 . 1 1 3 3 TRP HZ2 H 1 7.308 0.02 . 1 . . . . . . . . 5787 1 28 . 1 1 3 3 TRP HZ3 H 1 6.811 0.02 . 1 . . . . . . . . 5787 1 29 . 1 1 3 3 TRP HH2 H 1 7.286 0.02 . 1 . . . . . . . . 5787 1 30 . 1 1 3 3 TRP C C 13 178.494 0.2 . 1 . . . . . . . . 5787 1 31 . 1 1 3 3 TRP CA C 13 58.251 0.2 . 1 . . . . . . . . 5787 1 32 . 1 1 3 3 TRP CB C 13 32.468 0.2 . 1 . . . . . . . . 5787 1 33 . 1 1 3 3 TRP CD1 C 13 128.925 0.2 . 1 . . . . . . . . 5787 1 34 . 1 1 3 3 TRP CE3 C 13 124.926 0.2 . 1 . . . . . . . . 5787 1 35 . 1 1 3 3 TRP CZ2 C 13 114.589 0.2 . 1 . . . . . . . . 5787 1 36 . 1 1 3 3 TRP CZ3 C 13 120.036 0.2 . 1 . . . . . . . . 5787 1 37 . 1 1 3 3 TRP CH2 C 13 123.330 0.2 . 1 . . . . . . . . 5787 1 38 . 1 1 3 3 TRP N N 15 124.678 0.1 . 1 . . . . . . . . 5787 1 39 . 1 1 3 3 TRP NE1 N 15 129.962 0.1 . 1 . . . . . . . . 5787 1 40 . 1 1 4 4 GLU H H 1 8.707 0.02 . 1 . . . . . . . . 5787 1 41 . 1 1 4 4 GLU HA H 1 3.782 0.02 . 1 . . . . . . . . 5787 1 42 . 1 1 4 4 GLU HB2 H 1 2.021 0.02 . 1 . . . . . . . . 5787 1 43 . 1 1 4 4 GLU HB3 H 1 2.021 0.02 . 1 . . . . . . . . 5787 1 44 . 1 1 4 4 GLU HG2 H 1 2.422 0.02 . 1 . . . . . . . . 5787 1 45 . 1 1 4 4 GLU HG3 H 1 2.200 0.02 . 1 . . . . . . . . 5787 1 46 . 1 1 4 4 GLU C C 13 178.990 0.2 . 1 . . . . . . . . 5787 1 47 . 1 1 4 4 GLU CA C 13 59.771 0.2 . 1 . . . . . . . . 5787 1 48 . 1 1 4 4 GLU CB C 13 27.665 0.2 . 1 . . . . . . . . 5787 1 49 . 1 1 4 4 GLU CG C 13 34.591 0.2 . 1 . . . . . . . . 5787 1 50 . 1 1 4 4 GLU N N 15 120.757 0.1 . 1 . . . . . . . . 5787 1 51 . 1 1 5 5 THR H H 1 8.910 0.02 . 1 . . . . . . . . 5787 1 52 . 1 1 5 5 THR HA H 1 3.942 0.02 . 1 . . . . . . . . 5787 1 53 . 1 1 5 5 THR HB H 1 3.739 0.02 . 1 . . . . . . . . 5787 1 54 . 1 1 5 5 THR HG21 H 1 1.248 0.02 . 1 . . . . . . . . 5787 1 55 . 1 1 5 5 THR HG22 H 1 1.248 0.02 . 1 . . . . . . . . 5787 1 56 . 1 1 5 5 THR HG23 H 1 1.248 0.02 . 1 . . . . . . . . 5787 1 57 . 1 1 5 5 THR C C 13 175.760 0.2 . 1 . . . . . . . . 5787 1 58 . 1 1 5 5 THR CA C 13 65.742 0.2 . 1 . . . . . . . . 5787 1 59 . 1 1 5 5 THR CB C 13 67.089 0.2 . 1 . . . . . . . . 5787 1 60 . 1 1 5 5 THR CG2 C 13 22.548 0.2 . 1 . . . . . . . . 5787 1 61 . 1 1 5 5 THR N N 15 118.196 0.1 . 1 . . . . . . . . 5787 1 62 . 1 1 6 6 PHE H H 1 8.796 0.02 . 1 . . . . . . . . 5787 1 63 . 1 1 6 6 PHE HA H 1 4.228 0.02 . 1 . . . . . . . . 5787 1 64 . 1 1 6 6 PHE HB2 H 1 3.615 0.02 . 1 . . . . . . . . 5787 1 65 . 1 1 6 6 PHE HB3 H 1 3.171 0.02 . 1 . . . . . . . . 5787 1 66 . 1 1 6 6 PHE HD1 H 1 7.165 0.02 . 1 . . . . . . . . 5787 1 67 . 1 1 6 6 PHE HD2 H 1 7.165 0.02 . 1 . . . . . . . . 5787 1 68 . 1 1 6 6 PHE HE1 H 1 7.024 0.02 . 1 . . . . . . . . 5787 1 69 . 1 1 6 6 PHE HE2 H 1 7.024 0.02 . 1 . . . . . . . . 5787 1 70 . 1 1 6 6 PHE HZ H 1 6.834 0.02 . 1 . . . . . . . . 5787 1 71 . 1 1 6 6 PHE C C 13 177.890 0.2 . 1 . . . . . . . . 5787 1 72 . 1 1 6 6 PHE CA C 13 61.930 0.2 . 1 . . . . . . . . 5787 1 73 . 1 1 6 6 PHE CB C 13 39.135 0.2 . 1 . . . . . . . . 5787 1 74 . 1 1 6 6 PHE CD1 C 13 132.878 0.2 . 1 . . . . . . . . 5787 1 75 . 1 1 6 6 PHE CD2 C 13 132.878 0.2 . 1 . . . . . . . . 5787 1 76 . 1 1 6 6 PHE CE1 C 13 129.972 0.2 . 1 . . . . . . . . 5787 1 77 . 1 1 6 6 PHE CE2 C 13 129.972 0.2 . 1 . . . . . . . . 5787 1 78 . 1 1 6 6 PHE CZ C 13 128.127 0.2 . 1 . . . . . . . . 5787 1 79 . 1 1 6 6 PHE N N 15 122.999 0.1 . 1 . . . . . . . . 5787 1 80 . 1 1 7 7 GLN H H 1 8.118 0.02 . 1 . . . . . . . . 5787 1 81 . 1 1 7 7 GLN HA H 1 3.647 0.02 . 1 . . . . . . . . 5787 1 82 . 1 1 7 7 GLN HB2 H 1 1.193 0.02 . 1 . . . . . . . . 5787 1 83 . 1 1 7 7 GLN HB3 H 1 1.193 0.02 . 1 . . . . . . . . 5787 1 84 . 1 1 7 7 GLN HG2 H 1 1.851 0.02 . 1 . . . . . . . . 5787 1 85 . 1 1 7 7 GLN HG3 H 1 1.851 0.02 . 1 . . . . . . . . 5787 1 86 . 1 1 7 7 GLN HE21 H 1 6.195 0.02 . 1 . . . . . . . . 5787 1 87 . 1 1 7 7 GLN HE22 H 1 4.472 0.02 . 1 . . . . . . . . 5787 1 88 . 1 1 7 7 GLN C C 13 178.649 0.2 . 1 . . . . . . . . 5787 1 89 . 1 1 7 7 GLN CA C 13 59.520 0.2 . 1 . . . . . . . . 5787 1 90 . 1 1 7 7 GLN CB C 13 30.229 0.2 . 1 . . . . . . . . 5787 1 91 . 1 1 7 7 GLN CG C 13 34.492 0.2 . 1 . . . . . . . . 5787 1 92 . 1 1 7 7 GLN N N 15 117.315 0.1 . 1 . . . . . . . . 5787 1 93 . 1 1 7 7 GLN NE2 N 15 107.564 0.1 . 1 . . . . . . . . 5787 1 94 . 1 1 8 8 LYS H H 1 7.449 0.02 . 1 . . . . . . . . 5787 1 95 . 1 1 8 8 LYS HA H 1 4.036 0.02 . 1 . . . . . . . . 5787 1 96 . 1 1 8 8 LYS HB2 H 1 1.807 0.02 . 1 . . . . . . . . 5787 1 97 . 1 1 8 8 LYS HB3 H 1 1.770 0.02 . 1 . . . . . . . . 5787 1 98 . 1 1 8 8 LYS HG2 H 1 1.487 0.02 . 1 . . . . . . . . 5787 1 99 . 1 1 8 8 LYS HG3 H 1 1.487 0.02 . 1 . . . . . . . . 5787 1 100 . 1 1 8 8 LYS HD2 H 1 1.710 0.02 . 1 . . . . . . . . 5787 1 101 . 1 1 8 8 LYS HD3 H 1 1.710 0.02 . 1 . . . . . . . . 5787 1 102 . 1 1 8 8 LYS HE2 H 1 2.944 0.02 . 1 . . . . . . . . 5787 1 103 . 1 1 8 8 LYS HE3 H 1 2.944 0.02 . 1 . . . . . . . . 5787 1 104 . 1 1 8 8 LYS C C 13 178.680 0.2 . 1 . . . . . . . . 5787 1 105 . 1 1 8 8 LYS CA C 13 58.946 0.2 . 1 . . . . . . . . 5787 1 106 . 1 1 8 8 LYS CB C 13 32.895 0.2 . 1 . . . . . . . . 5787 1 107 . 1 1 8 8 LYS CG C 13 25.188 0.2 . 1 . . . . . . . . 5787 1 108 . 1 1 8 8 LYS CD C 13 29.128 0.2 . 1 . . . . . . . . 5787 1 109 . 1 1 8 8 LYS CE C 13 42.023 0.2 . 1 . . . . . . . . 5787 1 110 . 1 1 8 8 LYS N N 15 118.131 0.1 . 1 . . . . . . . . 5787 1 111 . 1 1 9 9 LYS H H 1 8.261 0.02 . 1 . . . . . . . . 5787 1 112 . 1 1 9 9 LYS HA H 1 4.167 0.02 . 1 . . . . . . . . 5787 1 113 . 1 1 9 9 LYS HB2 H 1 1.626 0.02 . 1 . . . . . . . . 5787 1 114 . 1 1 9 9 LYS HB3 H 1 1.626 0.02 . 1 . . . . . . . . 5787 1 115 . 1 1 9 9 LYS HG2 H 1 1.090 0.02 . 1 . . . . . . . . 5787 1 116 . 1 1 9 9 LYS HG3 H 1 1.090 0.02 . 1 . . . . . . . . 5787 1 117 . 1 1 9 9 LYS HD2 H 1 1.398 0.02 . 1 . . . . . . . . 5787 1 118 . 1 1 9 9 LYS HD3 H 1 1.398 0.02 . 1 . . . . . . . . 5787 1 119 . 1 1 9 9 LYS HE2 H 1 2.882 0.02 . 1 . . . . . . . . 5787 1 120 . 1 1 9 9 LYS HE3 H 1 2.882 0.02 . 1 . . . . . . . . 5787 1 121 . 1 1 9 9 LYS C C 13 176.634 0.2 . 1 . . . . . . . . 5787 1 122 . 1 1 9 9 LYS CA C 13 57.489 0.2 . 1 . . . . . . . . 5787 1 123 . 1 1 9 9 LYS CB C 13 34.724 0.2 . 1 . . . . . . . . 5787 1 124 . 1 1 9 9 LYS CG C 13 26.475 0.2 . 1 . . . . . . . . 5787 1 125 . 1 1 9 9 LYS CD C 13 29.549 0.2 . 1 . . . . . . . . 5787 1 126 . 1 1 9 9 LYS CE C 13 41.720 0.2 . 1 . . . . . . . . 5787 1 127 . 1 1 9 9 LYS N N 15 115.307 0.1 . 1 . . . . . . . . 5787 1 128 . 1 1 10 10 HIS H H 1 7.803 0.02 . 1 . . . . . . . . 5787 1 129 . 1 1 10 10 HIS HA H 1 4.846 0.02 . 1 . . . . . . . . 5787 1 130 . 1 1 10 10 HIS HB2 H 1 2.767 0.02 . 1 . . . . . . . . 5787 1 131 . 1 1 10 10 HIS HB3 H 1 2.000 0.02 . 1 . . . . . . . . 5787 1 132 . 1 1 10 10 HIS HD2 H 1 6.786 0.02 . 1 . . . . . . . . 5787 1 133 . 1 1 10 10 HIS HE1 H 1 8.755 0.02 . 1 . . . . . . . . 5787 1 134 . 1 1 10 10 HIS C C 13 173.998 0.2 . 1 . . . . . . . . 5787 1 135 . 1 1 10 10 HIS CA C 13 55.370 0.2 . 1 . . . . . . . . 5787 1 136 . 1 1 10 10 HIS CB C 13 30.286 0.2 . 1 . . . . . . . . 5787 1 137 . 1 1 10 10 HIS CD2 C 13 122.074 0.2 . 1 . . . . . . . . 5787 1 138 . 1 1 10 10 HIS CE1 C 13 137.835 0.2 . 1 . . . . . . . . 5787 1 139 . 1 1 10 10 HIS N N 15 106.834 0.1 . 1 . . . . . . . . 5787 1 140 . 1 1 11 11 LEU H H 1 8.311 0.02 . 1 . . . . . . . . 5787 1 141 . 1 1 11 11 LEU HA H 1 5.406 0.02 . 1 . . . . . . . . 5787 1 142 . 1 1 11 11 LEU HB2 H 1 2.156 0.02 . 1 . . . . . . . . 5787 1 143 . 1 1 11 11 LEU HB3 H 1 2.156 0.02 . 1 . . . . . . . . 5787 1 144 . 1 1 11 11 LEU HG H 1 1.788 0.02 . 1 . . . . . . . . 5787 1 145 . 1 1 11 11 LEU HD11 H 1 1.103 0.02 . 1 . . . . . . . . 5787 1 146 . 1 1 11 11 LEU HD12 H 1 1.103 0.02 . 1 . . . . . . . . 5787 1 147 . 1 1 11 11 LEU HD13 H 1 1.103 0.02 . 1 . . . . . . . . 5787 1 148 . 1 1 11 11 LEU HD21 H 1 1.103 0.02 . 1 . . . . . . . . 5787 1 149 . 1 1 11 11 LEU HD22 H 1 1.103 0.02 . 1 . . . . . . . . 5787 1 150 . 1 1 11 11 LEU HD23 H 1 1.103 0.02 . 1 . . . . . . . . 5787 1 151 . 1 1 11 11 LEU C C 13 176.088 0.2 . 1 . . . . . . . . 5787 1 152 . 1 1 11 11 LEU CA C 13 55.178 0.2 . 1 . . . . . . . . 5787 1 153 . 1 1 11 11 LEU CB C 13 41.738 0.2 . 1 . . . . . . . . 5787 1 154 . 1 1 11 11 LEU CG C 13 26.267 0.2 . 1 . . . . . . . . 5787 1 155 . 1 1 11 11 LEU CD1 C 13 24.285 0.2 . 1 . . . . . . . . 5787 1 156 . 1 1 11 11 LEU CD2 C 13 24.285 0.2 . 1 . . . . . . . . 5787 1 157 . 1 1 11 11 LEU N N 15 120.994 0.1 . 1 . . . . . . . . 5787 1 158 . 1 1 12 12 THR H H 1 8.237 0.02 . 1 . . . . . . . . 5787 1 159 . 1 1 12 12 THR HA H 1 5.003 0.02 . 1 . . . . . . . . 5787 1 160 . 1 1 12 12 THR HB H 1 3.775 0.02 . 1 . . . . . . . . 5787 1 161 . 1 1 12 12 THR HG21 H 1 1.220 0.02 . 1 . . . . . . . . 5787 1 162 . 1 1 12 12 THR HG22 H 1 1.220 0.02 . 1 . . . . . . . . 5787 1 163 . 1 1 12 12 THR HG23 H 1 1.220 0.02 . 1 . . . . . . . . 5787 1 164 . 1 1 12 12 THR C C 13 171.678 0.2 . 1 . . . . . . . . 5787 1 165 . 1 1 12 12 THR CA C 13 58.813 0.2 . 1 . . . . . . . . 5787 1 166 . 1 1 12 12 THR CB C 13 69.998 0.2 . 1 . . . . . . . . 5787 1 167 . 1 1 12 12 THR CG2 C 13 19.537 0.2 . 1 . . . . . . . . 5787 1 168 . 1 1 12 12 THR N N 15 114.206 0.1 . 1 . . . . . . . . 5787 1 169 . 1 1 13 13 ASP H H 1 8.271 0.02 . 1 . . . . . . . . 5787 1 170 . 1 1 13 13 ASP HA H 1 4.874 0.02 . 1 . . . . . . . . 5787 1 171 . 1 1 13 13 ASP HB2 H 1 3.060 0.02 . 1 . . . . . . . . 5787 1 172 . 1 1 13 13 ASP HB3 H 1 2.766 0.02 . 1 . . . . . . . . 5787 1 173 . 1 1 13 13 ASP C C 13 175.311 0.2 . 1 . . . . . . . . 5787 1 174 . 1 1 13 13 ASP CA C 13 52.472 0.2 . 1 . . . . . . . . 5787 1 175 . 1 1 13 13 ASP CB C 13 39.360 0.2 . 1 . . . . . . . . 5787 1 176 . 1 1 13 13 ASP N N 15 125.154 0.1 . 1 . . . . . . . . 5787 1 177 . 1 1 14 14 THR H H 1 8.106 0.02 . 1 . . . . . . . . 5787 1 178 . 1 1 14 14 THR HA H 1 4.802 0.02 . 1 . . . . . . . . 5787 1 179 . 1 1 14 14 THR HB H 1 4.067 0.02 . 1 . . . . . . . . 5787 1 180 . 1 1 14 14 THR HG21 H 1 0.947 0.02 . 1 . . . . . . . . 5787 1 181 . 1 1 14 14 THR HG22 H 1 0.947 0.02 . 1 . . . . . . . . 5787 1 182 . 1 1 14 14 THR HG23 H 1 0.947 0.02 . 1 . . . . . . . . 5787 1 183 . 1 1 14 14 THR C C 13 172.387 0.2 . 1 . . . . . . . . 5787 1 184 . 1 1 14 14 THR CA C 13 58.915 0.2 . 1 . . . . . . . . 5787 1 185 . 1 1 14 14 THR CB C 13 69.593 0.2 . 1 . . . . . . . . 5787 1 186 . 1 1 14 14 THR CG2 C 13 19.268 0.2 . 1 . . . . . . . . 5787 1 187 . 1 1 14 14 THR N N 15 114.229 0.1 . 1 . . . . . . . . 5787 1 188 . 1 1 15 15 LYS H H 1 8.239 0.02 . 1 . . . . . . . . 5787 1 189 . 1 1 15 15 LYS HA H 1 3.623 0.02 . 1 . . . . . . . . 5787 1 190 . 1 1 15 15 LYS HB2 H 1 1.440 0.02 . 1 . . . . . . . . 5787 1 191 . 1 1 15 15 LYS HB3 H 1 1.440 0.02 . 1 . . . . . . . . 5787 1 192 . 1 1 15 15 LYS HG2 H 1 0.736 0.02 . 1 . . . . . . . . 5787 1 193 . 1 1 15 15 LYS HG3 H 1 0.405 0.02 . 1 . . . . . . . . 5787 1 194 . 1 1 15 15 LYS HD2 H 1 1.423 0.02 . 1 . . . . . . . . 5787 1 195 . 1 1 15 15 LYS HD3 H 1 1.423 0.02 . 1 . . . . . . . . 5787 1 196 . 1 1 15 15 LYS HE2 H 1 2.741 0.02 . 1 . . . . . . . . 5787 1 197 . 1 1 15 15 LYS HE3 H 1 2.741 0.02 . 1 . . . . . . . . 5787 1 198 . 1 1 15 15 LYS C C 13 176.948 0.2 . 1 . . . . . . . . 5787 1 199 . 1 1 15 15 LYS CA C 13 57.949 0.2 . 1 . . . . . . . . 5787 1 200 . 1 1 15 15 LYS CB C 13 32.306 0.2 . 1 . . . . . . . . 5787 1 201 . 1 1 15 15 LYS CG C 13 24.692 0.2 . 1 . . . . . . . . 5787 1 202 . 1 1 15 15 LYS CD C 13 29.281 0.2 . 1 . . . . . . . . 5787 1 203 . 1 1 15 15 LYS CE C 13 41.742 0.2 . 1 . . . . . . . . 5787 1 204 . 1 1 15 15 LYS N N 15 124.290 0.1 . 1 . . . . . . . . 5787 1 205 . 1 1 16 16 LYS H H 1 7.904 0.02 . 1 . . . . . . . . 5787 1 206 . 1 1 16 16 LYS HA H 1 4.277 0.02 . 1 . . . . . . . . 5787 1 207 . 1 1 16 16 LYS HB2 H 1 1.680 0.02 . 1 . . . . . . . . 5787 1 208 . 1 1 16 16 LYS HB3 H 1 1.680 0.02 . 1 . . . . . . . . 5787 1 209 . 1 1 16 16 LYS HG2 H 1 1.234 0.02 . 1 . . . . . . . . 5787 1 210 . 1 1 16 16 LYS HG3 H 1 1.234 0.02 . 1 . . . . . . . . 5787 1 211 . 1 1 16 16 LYS HD2 H 1 1.545 0.02 . 1 . . . . . . . . 5787 1 212 . 1 1 16 16 LYS HD3 H 1 1.545 0.02 . 1 . . . . . . . . 5787 1 213 . 1 1 16 16 LYS HE2 H 1 2.953 0.02 . 1 . . . . . . . . 5787 1 214 . 1 1 16 16 LYS HE3 H 1 2.953 0.02 . 1 . . . . . . . . 5787 1 215 . 1 1 16 16 LYS C C 13 174.770 0.2 . 1 . . . . . . . . 5787 1 216 . 1 1 16 16 LYS CA C 13 53.666 0.2 . 1 . . . . . . . . 5787 1 217 . 1 1 16 16 LYS CB C 13 30.617 0.2 . 1 . . . . . . . . 5787 1 218 . 1 1 16 16 LYS CG C 13 24.350 0.2 . 1 . . . . . . . . 5787 1 219 . 1 1 16 16 LYS CD C 13 28.913 0.2 . 1 . . . . . . . . 5787 1 220 . 1 1 16 16 LYS CE C 13 41.894 0.2 . 1 . . . . . . . . 5787 1 221 . 1 1 16 16 LYS N N 15 120.841 0.1 . 1 . . . . . . . . 5787 1 222 . 1 1 17 17 VAL H H 1 6.052 0.02 . 1 . . . . . . . . 5787 1 223 . 1 1 17 17 VAL HA H 1 3.325 0.02 . 1 . . . . . . . . 5787 1 224 . 1 1 17 17 VAL HB H 1 1.441 0.02 . 1 . . . . . . . . 5787 1 225 . 1 1 17 17 VAL HG11 H 1 0.405 0.02 . 1 . . . . . . . . 5787 1 226 . 1 1 17 17 VAL HG12 H 1 0.405 0.02 . 1 . . . . . . . . 5787 1 227 . 1 1 17 17 VAL HG13 H 1 0.405 0.02 . 1 . . . . . . . . 5787 1 228 . 1 1 17 17 VAL HG21 H 1 0.105 0.02 . 1 . . . . . . . . 5787 1 229 . 1 1 17 17 VAL HG22 H 1 0.105 0.02 . 1 . . . . . . . . 5787 1 230 . 1 1 17 17 VAL HG23 H 1 0.105 0.02 . 1 . . . . . . . . 5787 1 231 . 1 1 17 17 VAL C C 13 175.994 0.2 . 1 . . . . . . . . 5787 1 232 . 1 1 17 17 VAL CA C 13 62.623 0.2 . 1 . . . . . . . . 5787 1 233 . 1 1 17 17 VAL CB C 13 32.235 0.2 . 1 . . . . . . . . 5787 1 234 . 1 1 17 17 VAL CG1 C 13 21.082 0.2 . 1 . . . . . . . . 5787 1 235 . 1 1 17 17 VAL CG2 C 13 19.392 0.2 . 1 . . . . . . . . 5787 1 236 . 1 1 17 17 VAL N N 15 121.789 0.1 . 1 . . . . . . . . 5787 1 237 . 1 1 18 18 LYS H H 1 8.665 0.02 . 1 . . . . . . . . 5787 1 238 . 1 1 18 18 LYS HA H 1 4.488 0.02 . 1 . . . . . . . . 5787 1 239 . 1 1 18 18 LYS HB2 H 1 1.886 0.02 . 1 . . . . . . . . 5787 1 240 . 1 1 18 18 LYS HB3 H 1 1.886 0.02 . 1 . . . . . . . . 5787 1 241 . 1 1 18 18 LYS HG2 H 1 1.548 0.02 . 1 . . . . . . . . 5787 1 242 . 1 1 18 18 LYS HG3 H 1 1.548 0.02 . 1 . . . . . . . . 5787 1 243 . 1 1 18 18 LYS HD2 H 1 1.748 0.02 . 1 . . . . . . . . 5787 1 244 . 1 1 18 18 LYS HD3 H 1 1.748 0.02 . 1 . . . . . . . . 5787 1 245 . 1 1 18 18 LYS HE2 H 1 3.062 0.02 . 1 . . . . . . . . 5787 1 246 . 1 1 18 18 LYS HE3 H 1 3.062 0.02 . 1 . . . . . . . . 5787 1 247 . 1 1 18 18 LYS C C 13 176.794 0.2 . 1 . . . . . . . . 5787 1 248 . 1 1 18 18 LYS CA C 13 53.827 0.2 . 1 . . . . . . . . 5787 1 249 . 1 1 18 18 LYS CB C 13 29.301 0.2 . 1 . . . . . . . . 5787 1 250 . 1 1 18 18 LYS CG C 13 19.141 0.2 . 1 . . . . . . . . 5787 1 251 . 1 1 18 18 LYS CD C 13 24.296 0.2 . 1 . . . . . . . . 5787 1 252 . 1 1 18 18 LYS CE C 13 42.046 0.2 . 1 . . . . . . . . 5787 1 253 . 1 1 18 18 LYS N N 15 128.767 0.1 . 1 . . . . . . . . 5787 1 254 . 1 1 19 19 CYS H H 1 8.066 0.02 . 1 . . . . . . . . 5787 1 255 . 1 1 19 19 CYS HA H 1 3.692 0.02 . 1 . . . . . . . . 5787 1 256 . 1 1 19 19 CYS HB2 H 1 3.027 0.02 . 1 . . . . . . . . 5787 1 257 . 1 1 19 19 CYS HB3 H 1 2.339 0.02 . 1 . . . . . . . . 5787 1 258 . 1 1 19 19 CYS C C 13 174.536 0.2 . 1 . . . . . . . . 5787 1 259 . 1 1 19 19 CYS CA C 13 58.997 0.2 . 1 . . . . . . . . 5787 1 260 . 1 1 19 19 CYS CB C 13 40.173 0.2 . 1 . . . . . . . . 5787 1 261 . 1 1 19 19 CYS N N 15 122.110 0.1 . 1 . . . . . . . . 5787 1 262 . 1 1 20 20 ASP H H 1 8.880 0.02 . 1 . . . . . . . . 5787 1 263 . 1 1 20 20 ASP HA H 1 4.453 0.02 . 1 . . . . . . . . 5787 1 264 . 1 1 20 20 ASP HB2 H 1 3.056 0.02 . 1 . . . . . . . . 5787 1 265 . 1 1 20 20 ASP HB3 H 1 2.905 0.02 . 1 . . . . . . . . 5787 1 266 . 1 1 20 20 ASP C C 13 177.547 0.2 . 1 . . . . . . . . 5787 1 267 . 1 1 20 20 ASP CA C 13 57.451 0.2 . 1 . . . . . . . . 5787 1 268 . 1 1 20 20 ASP CB C 13 38.424 0.2 . 1 . . . . . . . . 5787 1 269 . 1 1 20 20 ASP N N 15 118.616 0.1 . 1 . . . . . . . . 5787 1 270 . 1 1 21 21 VAL H H 1 7.035 0.02 . 1 . . . . . . . . 5787 1 271 . 1 1 21 21 VAL HA H 1 3.945 0.02 . 1 . . . . . . . . 5787 1 272 . 1 1 21 21 VAL HB H 1 2.122 0.02 . 1 . . . . . . . . 5787 1 273 . 1 1 21 21 VAL HG11 H 1 1.018 0.02 . 1 . . . . . . . . 5787 1 274 . 1 1 21 21 VAL HG12 H 1 1.018 0.02 . 1 . . . . . . . . 5787 1 275 . 1 1 21 21 VAL HG13 H 1 1.018 0.02 . 1 . . . . . . . . 5787 1 276 . 1 1 21 21 VAL HG21 H 1 1.018 0.02 . 1 . . . . . . . . 5787 1 277 . 1 1 21 21 VAL HG22 H 1 1.018 0.02 . 1 . . . . . . . . 5787 1 278 . 1 1 21 21 VAL HG23 H 1 1.018 0.02 . 1 . . . . . . . . 5787 1 279 . 1 1 21 21 VAL C C 13 178.081 0.2 . 1 . . . . . . . . 5787 1 280 . 1 1 21 21 VAL CA C 13 64.426 0.2 . 1 . . . . . . . . 5787 1 281 . 1 1 21 21 VAL CB C 13 32.359 0.2 . 1 . . . . . . . . 5787 1 282 . 1 1 21 21 VAL CG1 C 13 21.148 0.2 . 1 . . . . . . . . 5787 1 283 . 1 1 21 21 VAL CG2 C 13 21.148 0.2 . 1 . . . . . . . . 5787 1 284 . 1 1 21 21 VAL N N 15 117.356 0.1 . 1 . . . . . . . . 5787 1 285 . 1 1 22 22 GLU H H 1 8.113 0.02 . 1 . . . . . . . . 5787 1 286 . 1 1 22 22 GLU HA H 1 4.079 0.02 . 1 . . . . . . . . 5787 1 287 . 1 1 22 22 GLU HB2 H 1 2.110 0.02 . 1 . . . . . . . . 5787 1 288 . 1 1 22 22 GLU HB3 H 1 2.110 0.02 . 1 . . . . . . . . 5787 1 289 . 1 1 22 22 GLU HG2 H 1 2.206 0.02 . 1 . . . . . . . . 5787 1 290 . 1 1 22 22 GLU HG3 H 1 2.179 0.02 . 1 . . . . . . . . 5787 1 291 . 1 1 22 22 GLU C C 13 178.190 0.2 . 1 . . . . . . . . 5787 1 292 . 1 1 22 22 GLU CA C 13 58.604 0.2 . 1 . . . . . . . . 5787 1 293 . 1 1 22 22 GLU CB C 13 28.918 0.2 . 1 . . . . . . . . 5787 1 294 . 1 1 22 22 GLU CG C 13 32.970 0.2 . 1 . . . . . . . . 5787 1 295 . 1 1 22 22 GLU N N 15 118.165 0.1 . 1 . . . . . . . . 5787 1 296 . 1 1 23 23 MET H H 1 8.323 0.02 . 1 . . . . . . . . 5787 1 297 . 1 1 23 23 MET HA H 1 4.247 0.02 . 1 . . . . . . . . 5787 1 298 . 1 1 23 23 MET HB2 H 1 1.679 0.02 . 1 . . . . . . . . 5787 1 299 . 1 1 23 23 MET HB3 H 1 1.739 0.02 . 1 . . . . . . . . 5787 1 300 . 1 1 23 23 MET HG2 H 1 2.977 0.02 . 1 . . . . . . . . 5787 1 301 . 1 1 23 23 MET HG3 H 1 2.977 0.02 . 1 . . . . . . . . 5787 1 302 . 1 1 23 23 MET C C 13 175.977 0.2 . 1 . . . . . . . . 5787 1 303 . 1 1 23 23 MET CA C 13 54.644 0.2 . 1 . . . . . . . . 5787 1 304 . 1 1 23 23 MET CB C 13 30.090 0.2 . 1 . . . . . . . . 5787 1 305 . 1 1 23 23 MET CG C 13 30.794 0.2 . 1 . . . . . . . . 5787 1 306 . 1 1 23 23 MET N N 15 110.225 0.1 . 1 . . . . . . . . 5787 1 307 . 1 1 24 24 ALA H H 1 6.621 0.02 . 1 . . . . . . . . 5787 1 308 . 1 1 24 24 ALA HA H 1 4.796 0.02 . 1 . . . . . . . . 5787 1 309 . 1 1 24 24 ALA HB1 H 1 1.612 0.02 . 1 . . . . . . . . 5787 1 310 . 1 1 24 24 ALA HB2 H 1 1.612 0.02 . 1 . . . . . . . . 5787 1 311 . 1 1 24 24 ALA HB3 H 1 1.612 0.02 . 1 . . . . . . . . 5787 1 312 . 1 1 24 24 ALA C C 13 179.472 0.2 . 1 . . . . . . . . 5787 1 313 . 1 1 24 24 ALA CA C 13 51.998 0.2 . 1 . . . . . . . . 5787 1 314 . 1 1 24 24 ALA CB C 13 19.254 0.2 . 1 . . . . . . . . 5787 1 315 . 1 1 24 24 ALA N N 15 117.038 0.1 . 1 . . . . . . . . 5787 1 316 . 1 1 25 25 LYS H H 1 7.632 0.02 . 1 . . . . . . . . 5787 1 317 . 1 1 25 25 LYS HA H 1 4.369 0.02 . 1 . . . . . . . . 5787 1 318 . 1 1 25 25 LYS HB2 H 1 2.256 0.02 . 1 . . . . . . . . 5787 1 319 . 1 1 25 25 LYS HB3 H 1 2.256 0.02 . 1 . . . . . . . . 5787 1 320 . 1 1 25 25 LYS HG2 H 1 1.630 0.02 . 1 . . . . . . . . 5787 1 321 . 1 1 25 25 LYS HG3 H 1 1.630 0.02 . 1 . . . . . . . . 5787 1 322 . 1 1 25 25 LYS HD2 H 1 1.992 0.02 . 1 . . . . . . . . 5787 1 323 . 1 1 25 25 LYS HD3 H 1 1.992 0.02 . 1 . . . . . . . . 5787 1 324 . 1 1 25 25 LYS HE2 H 1 3.288 0.02 . 1 . . . . . . . . 5787 1 325 . 1 1 25 25 LYS HE3 H 1 3.288 0.02 . 1 . . . . . . . . 5787 1 326 . 1 1 25 25 LYS C C 13 178.214 0.2 . 1 . . . . . . . . 5787 1 327 . 1 1 25 25 LYS CA C 13 57.193 0.2 . 1 . . . . . . . . 5787 1 328 . 1 1 25 25 LYS CB C 13 33.178 0.2 . 1 . . . . . . . . 5787 1 329 . 1 1 25 25 LYS CG C 13 26.053 0.2 . 1 . . . . . . . . 5787 1 330 . 1 1 25 25 LYS CD C 13 29.365 0.2 . 1 . . . . . . . . 5787 1 331 . 1 1 25 25 LYS CE C 13 42.309 0.2 . 1 . . . . . . . . 5787 1 332 . 1 1 25 25 LYS N N 15 118.953 0.1 . 1 . . . . . . . . 5787 1 333 . 1 1 26 26 ALA H H 1 8.711 0.02 . 1 . . . . . . . . 5787 1 334 . 1 1 26 26 ALA HA H 1 4.187 0.02 . 1 . . . . . . . . 5787 1 335 . 1 1 26 26 ALA HB1 H 1 1.488 0.02 . 1 . . . . . . . . 5787 1 336 . 1 1 26 26 ALA HB2 H 1 1.488 0.02 . 1 . . . . . . . . 5787 1 337 . 1 1 26 26 ALA HB3 H 1 1.488 0.02 . 1 . . . . . . . . 5787 1 338 . 1 1 26 26 ALA C C 13 177.965 0.2 . 1 . . . . . . . . 5787 1 339 . 1 1 26 26 ALA CA C 13 54.950 0.2 . 1 . . . . . . . . 5787 1 340 . 1 1 26 26 ALA CB C 13 18.198 0.2 . 1 . . . . . . . . 5787 1 341 . 1 1 26 26 ALA N N 15 125.741 0.1 . 1 . . . . . . . . 5787 1 342 . 1 1 27 27 LEU H H 1 7.270 0.02 . 1 . . . . . . . . 5787 1 343 . 1 1 27 27 LEU HA H 1 3.860 0.02 . 1 . . . . . . . . 5787 1 344 . 1 1 27 27 LEU HB2 H 1 1.144 0.02 . 1 . . . . . . . . 5787 1 345 . 1 1 27 27 LEU HB3 H 1 1.144 0.02 . 1 . . . . . . . . 5787 1 346 . 1 1 27 27 LEU HG H 1 0.886 0.02 . 1 . . . . . . . . 5787 1 347 . 1 1 27 27 LEU HD11 H 1 0.731 0.02 . 1 . . . . . . . . 5787 1 348 . 1 1 27 27 LEU HD12 H 1 0.731 0.02 . 1 . . . . . . . . 5787 1 349 . 1 1 27 27 LEU HD13 H 1 0.731 0.02 . 1 . . . . . . . . 5787 1 350 . 1 1 27 27 LEU HD21 H 1 0.731 0.02 . 1 . . . . . . . . 5787 1 351 . 1 1 27 27 LEU HD22 H 1 0.731 0.02 . 1 . . . . . . . . 5787 1 352 . 1 1 27 27 LEU HD23 H 1 0.731 0.02 . 1 . . . . . . . . 5787 1 353 . 1 1 27 27 LEU C C 13 176.126 0.2 . 1 . . . . . . . . 5787 1 354 . 1 1 27 27 LEU CA C 13 56.622 0.2 . 1 . . . . . . . . 5787 1 355 . 1 1 27 27 LEU CB C 13 42.442 0.2 . 1 . . . . . . . . 5787 1 356 . 1 1 27 27 LEU CG C 13 25.959 0.2 . 1 . . . . . . . . 5787 1 357 . 1 1 27 27 LEU CD1 C 13 24.602 0.2 . 1 . . . . . . . . 5787 1 358 . 1 1 27 27 LEU CD2 C 13 24.602 0.2 . 1 . . . . . . . . 5787 1 359 . 1 1 27 27 LEU N N 15 114.137 0.1 . 1 . . . . . . . . 5787 1 360 . 1 1 28 28 PHE H H 1 7.335 0.02 . 1 . . . . . . . . 5787 1 361 . 1 1 28 28 PHE HA H 1 4.675 0.02 . 1 . . . . . . . . 5787 1 362 . 1 1 28 28 PHE HB2 H 1 3.307 0.02 . 1 . . . . . . . . 5787 1 363 . 1 1 28 28 PHE HB3 H 1 3.099 0.02 . 1 . . . . . . . . 5787 1 364 . 1 1 28 28 PHE HD1 H 1 7.236 0.02 . 1 . . . . . . . . 5787 1 365 . 1 1 28 28 PHE HD2 H 1 7.236 0.02 . 1 . . . . . . . . 5787 1 366 . 1 1 28 28 PHE HE1 H 1 7.502 0.02 . 1 . . . . . . . . 5787 1 367 . 1 1 28 28 PHE HE2 H 1 7.502 0.02 . 1 . . . . . . . . 5787 1 368 . 1 1 28 28 PHE HZ H 1 7.242 0.02 . 1 . . . . . . . . 5787 1 369 . 1 1 28 28 PHE C C 13 176.871 0.2 . 1 . . . . . . . . 5787 1 370 . 1 1 28 28 PHE CA C 13 57.959 0.2 . 1 . . . . . . . . 5787 1 371 . 1 1 28 28 PHE CB C 13 42.049 0.2 . 1 . . . . . . . . 5787 1 372 . 1 1 28 28 PHE CD1 C 13 131.504 0.2 . 1 . . . . . . . . 5787 1 373 . 1 1 28 28 PHE CD2 C 13 131.504 0.2 . 1 . . . . . . . . 5787 1 374 . 1 1 28 28 PHE CE1 C 13 130.718 0.2 . 1 . . . . . . . . 5787 1 375 . 1 1 28 28 PHE CE2 C 13 130.718 0.2 . 1 . . . . . . . . 5787 1 376 . 1 1 28 28 PHE CZ C 13 131.711 0.2 . 1 . . . . . . . . 5787 1 377 . 1 1 28 28 PHE N N 15 114.156 0.1 . 1 . . . . . . . . 5787 1 378 . 1 1 29 29 ASP H H 1 9.052 0.02 . 1 . . . . . . . . 5787 1 379 . 1 1 29 29 ASP HA H 1 4.411 0.02 . 1 . . . . . . . . 5787 1 380 . 1 1 29 29 ASP HB2 H 1 3.192 0.02 . 1 . . . . . . . . 5787 1 381 . 1 1 29 29 ASP HB3 H 1 2.567 0.02 . 1 . . . . . . . . 5787 1 382 . 1 1 29 29 ASP C C 13 174.428 0.2 . 1 . . . . . . . . 5787 1 383 . 1 1 29 29 ASP CA C 13 53.993 0.2 . 1 . . . . . . . . 5787 1 384 . 1 1 29 29 ASP CB C 13 37.594 0.2 . 1 . . . . . . . . 5787 1 385 . 1 1 29 29 ASP N N 15 117.248 0.1 . 1 . . . . . . . . 5787 1 386 . 1 1 30 30 CYS H H 1 9.239 0.02 . 1 . . . . . . . . 5787 1 387 . 1 1 30 30 CYS HA H 1 4.651 0.02 . 1 . . . . . . . . 5787 1 388 . 1 1 30 30 CYS HB2 H 1 3.821 0.02 . 1 . . . . . . . . 5787 1 389 . 1 1 30 30 CYS HB3 H 1 3.339 0.02 . 1 . . . . . . . . 5787 1 390 . 1 1 30 30 CYS C C 13 175.618 0.2 . 1 . . . . . . . . 5787 1 391 . 1 1 30 30 CYS CA C 13 57.361 0.2 . 1 . . . . . . . . 5787 1 392 . 1 1 30 30 CYS CB C 13 40.749 0.2 . 1 . . . . . . . . 5787 1 393 . 1 1 30 30 CYS N N 15 109.836 0.1 . 1 . . . . . . . . 5787 1 394 . 1 1 31 31 LYS H H 1 6.889 0.02 . 1 . . . . . . . . 5787 1 395 . 1 1 31 31 LYS HA H 1 4.432 0.02 . 1 . . . . . . . . 5787 1 396 . 1 1 31 31 LYS HB2 H 1 2.315 0.02 . 1 . . . . . . . . 5787 1 397 . 1 1 31 31 LYS HB3 H 1 2.315 0.02 . 1 . . . . . . . . 5787 1 398 . 1 1 31 31 LYS HG2 H 1 1.524 0.02 . 1 . . . . . . . . 5787 1 399 . 1 1 31 31 LYS HG3 H 1 1.524 0.02 . 1 . . . . . . . . 5787 1 400 . 1 1 31 31 LYS HD2 H 1 2.116 0.02 . 1 . . . . . . . . 5787 1 401 . 1 1 31 31 LYS HD3 H 1 2.116 0.02 . 1 . . . . . . . . 5787 1 402 . 1 1 31 31 LYS HE2 H 1 3.343 0.02 . 1 . . . . . . . . 5787 1 403 . 1 1 31 31 LYS HE3 H 1 3.343 0.02 . 1 . . . . . . . . 5787 1 404 . 1 1 31 31 LYS C C 13 177.188 0.2 . 1 . . . . . . . . 5787 1 405 . 1 1 31 31 LYS CA C 13 55.794 0.2 . 1 . . . . . . . . 5787 1 406 . 1 1 31 31 LYS CB C 13 31.888 0.2 . 1 . . . . . . . . 5787 1 407 . 1 1 31 31 LYS CG C 13 23.558 0.2 . 1 . . . . . . . . 5787 1 408 . 1 1 31 31 LYS CD C 13 29.645 0.2 . 1 . . . . . . . . 5787 1 409 . 1 1 31 31 LYS CE C 13 41.462 0.2 . 1 . . . . . . . . 5787 1 410 . 1 1 31 31 LYS N N 15 113.838 0.1 . 1 . . . . . . . . 5787 1 411 . 1 1 32 32 LYS H H 1 8.603 0.02 . 1 . . . . . . . . 5787 1 412 . 1 1 32 32 LYS HA H 1 3.774 0.02 . 1 . . . . . . . . 5787 1 413 . 1 1 32 32 LYS HB2 H 1 1.995 0.02 . 2 . . . . . . . . 5787 1 414 . 1 1 32 32 LYS HB3 H 1 1.925 0.02 . 2 . . . . . . . . 5787 1 415 . 1 1 32 32 LYS HG2 H 1 1.612 0.02 . 1 . . . . . . . . 5787 1 416 . 1 1 32 32 LYS HG3 H 1 1.578 0.02 . 1 . . . . . . . . 5787 1 417 . 1 1 32 32 LYS HD2 H 1 1.812 0.02 . 1 . . . . . . . . 5787 1 418 . 1 1 32 32 LYS HD3 H 1 1.765 0.02 . 1 . . . . . . . . 5787 1 419 . 1 1 32 32 LYS HE2 H 1 3.072 0.02 . 1 . . . . . . . . 5787 1 420 . 1 1 32 32 LYS HE3 H 1 3.072 0.02 . 1 . . . . . . . . 5787 1 421 . 1 1 32 32 LYS C C 13 175.348 0.2 . 1 . . . . . . . . 5787 1 422 . 1 1 32 32 LYS CA C 13 60.800 0.2 . 1 . . . . . . . . 5787 1 423 . 1 1 32 32 LYS CB C 13 32.667 0.2 . 1 . . . . . . . . 5787 1 424 . 1 1 32 32 LYS CG C 13 25.341 0.2 . 1 . . . . . . . . 5787 1 425 . 1 1 32 32 LYS CD C 13 29.248 0.2 . 1 . . . . . . . . 5787 1 426 . 1 1 32 32 LYS CE C 13 42.062 0.2 . 1 . . . . . . . . 5787 1 427 . 1 1 32 32 LYS N N 15 121.477 0.1 . 1 . . . . . . . . 5787 1 428 . 1 1 33 33 THR H H 1 7.627 0.02 . 1 . . . . . . . . 5787 1 429 . 1 1 33 33 THR HA H 1 5.720 0.02 . 1 . . . . . . . . 5787 1 430 . 1 1 33 33 THR HB H 1 4.172 0.02 . 1 . . . . . . . . 5787 1 431 . 1 1 33 33 THR HG21 H 1 1.148 0.02 . 1 . . . . . . . . 5787 1 432 . 1 1 33 33 THR HG22 H 1 1.148 0.02 . 1 . . . . . . . . 5787 1 433 . 1 1 33 33 THR HG23 H 1 1.148 0.02 . 1 . . . . . . . . 5787 1 434 . 1 1 33 33 THR C C 13 173.335 0.2 . 1 . . . . . . . . 5787 1 435 . 1 1 33 33 THR CA C 13 59.493 0.2 . 1 . . . . . . . . 5787 1 436 . 1 1 33 33 THR CB C 13 70.320 0.2 . 1 . . . . . . . . 5787 1 437 . 1 1 33 33 THR CG2 C 13 19.984 0.2 . 1 . . . . . . . . 5787 1 438 . 1 1 33 33 THR N N 15 108.878 0.1 . 1 . . . . . . . . 5787 1 439 . 1 1 34 34 ASN H H 1 8.025 0.02 . 1 . . . . . . . . 5787 1 440 . 1 1 34 34 ASN HA H 1 4.737 0.02 . 1 . . . . . . . . 5787 1 441 . 1 1 34 34 ASN HB2 H 1 2.187 0.02 . 1 . . . . . . . . 5787 1 442 . 1 1 34 34 ASN HB3 H 1 1.955 0.02 . 1 . . . . . . . . 5787 1 443 . 1 1 34 34 ASN HD21 H 1 6.306 0.02 . 1 . . . . . . . . 5787 1 444 . 1 1 34 34 ASN HD22 H 1 3.678 0.02 . 1 . . . . . . . . 5787 1 445 . 1 1 34 34 ASN C C 13 172.583 0.2 . 1 . . . . . . . . 5787 1 446 . 1 1 34 34 ASN CA C 13 55.137 0.2 . 1 . . . . . . . . 5787 1 447 . 1 1 34 34 ASN CB C 13 44.056 0.2 . 1 . . . . . . . . 5787 1 448 . 1 1 34 34 ASN N N 15 119.592 0.1 . 1 . . . . . . . . 5787 1 449 . 1 1 34 34 ASN ND2 N 15 114.391 0.1 . 1 . . . . . . . . 5787 1 450 . 1 1 35 35 THR H H 1 8.525 0.02 . 1 . . . . . . . . 5787 1 451 . 1 1 35 35 THR HA H 1 4.403 0.02 . 1 . . . . . . . . 5787 1 452 . 1 1 35 35 THR HB H 1 3.378 0.02 . 1 . . . . . . . . 5787 1 453 . 1 1 35 35 THR HG21 H 1 1.257 0.02 . 1 . . . . . . . . 5787 1 454 . 1 1 35 35 THR HG22 H 1 1.257 0.02 . 1 . . . . . . . . 5787 1 455 . 1 1 35 35 THR HG23 H 1 1.257 0.02 . 1 . . . . . . . . 5787 1 456 . 1 1 35 35 THR C C 13 171.576 0.2 . 1 . . . . . . . . 5787 1 457 . 1 1 35 35 THR CA C 13 63.421 0.2 . 1 . . . . . . . . 5787 1 458 . 1 1 35 35 THR CB C 13 68.791 0.2 . 1 . . . . . . . . 5787 1 459 . 1 1 35 35 THR CG2 C 13 23.564 0.2 . 1 . . . . . . . . 5787 1 460 . 1 1 35 35 THR N N 15 124.820 0.1 . 1 . . . . . . . . 5787 1 461 . 1 1 36 36 PHE H H 1 9.400 0.02 . 1 . . . . . . . . 5787 1 462 . 1 1 36 36 PHE HA H 1 4.911 0.02 . 1 . . . . . . . . 5787 1 463 . 1 1 36 36 PHE HB2 H 1 3.003 0.02 . 1 . . . . . . . . 5787 1 464 . 1 1 36 36 PHE HB3 H 1 2.773 0.02 . 1 . . . . . . . . 5787 1 465 . 1 1 36 36 PHE HD1 H 1 6.993 0.02 . 1 . . . . . . . . 5787 1 466 . 1 1 36 36 PHE HD2 H 1 6.993 0.02 . 1 . . . . . . . . 5787 1 467 . 1 1 36 36 PHE HE1 H 1 7.086 0.02 . 1 . . . . . . . . 5787 1 468 . 1 1 36 36 PHE HE2 H 1 7.086 0.02 . 1 . . . . . . . . 5787 1 469 . 1 1 36 36 PHE HZ H 1 6.482 0.02 . 1 . . . . . . . . 5787 1 470 . 1 1 36 36 PHE C C 13 172.073 0.2 . 1 . . . . . . . . 5787 1 471 . 1 1 36 36 PHE CA C 13 55.999 0.2 . 1 . . . . . . . . 5787 1 472 . 1 1 36 36 PHE CB C 13 41.017 0.2 . 1 . . . . . . . . 5787 1 473 . 1 1 36 36 PHE CD1 C 13 129.619 0.2 . 1 . . . . . . . . 5787 1 474 . 1 1 36 36 PHE CD2 C 13 129.619 0.2 . 1 . . . . . . . . 5787 1 475 . 1 1 36 36 PHE CE1 C 13 131.713 0.2 . 1 . . . . . . . . 5787 1 476 . 1 1 36 36 PHE CE2 C 13 131.713 0.2 . 1 . . . . . . . . 5787 1 477 . 1 1 36 36 PHE CZ C 13 128.599 0.2 . 1 . . . . . . . . 5787 1 478 . 1 1 36 36 PHE N N 15 128.173 0.1 . 1 . . . . . . . . 5787 1 479 . 1 1 37 37 ILE H H 1 8.771 0.02 . 1 . . . . . . . . 5787 1 480 . 1 1 37 37 ILE HA H 1 4.552 0.02 . 1 . . . . . . . . 5787 1 481 . 1 1 37 37 ILE HB H 1 1.788 0.02 . 1 . . . . . . . . 5787 1 482 . 1 1 37 37 ILE HG12 H 1 1.390 0.02 . 1 . . . . . . . . 5787 1 483 . 1 1 37 37 ILE HG13 H 1 1.390 0.02 . 1 . . . . . . . . 5787 1 484 . 1 1 37 37 ILE HG21 H 1 0.632 0.02 . 1 . . . . . . . . 5787 1 485 . 1 1 37 37 ILE HG22 H 1 0.632 0.02 . 1 . . . . . . . . 5787 1 486 . 1 1 37 37 ILE HG23 H 1 0.632 0.02 . 1 . . . . . . . . 5787 1 487 . 1 1 37 37 ILE HD11 H 1 0.579 0.02 . 1 . . . . . . . . 5787 1 488 . 1 1 37 37 ILE HD12 H 1 0.579 0.02 . 1 . . . . . . . . 5787 1 489 . 1 1 37 37 ILE HD13 H 1 0.579 0.02 . 1 . . . . . . . . 5787 1 490 . 1 1 37 37 ILE C C 13 176.125 0.2 . 1 . . . . . . . . 5787 1 491 . 1 1 37 37 ILE CA C 13 60.372 0.2 . 1 . . . . . . . . 5787 1 492 . 1 1 37 37 ILE CB C 13 40.655 0.2 . 1 . . . . . . . . 5787 1 493 . 1 1 37 37 ILE CG1 C 13 26.541 0.2 . 1 . . . . . . . . 5787 1 494 . 1 1 37 37 ILE CG2 C 13 18.207 0.2 . 1 . . . . . . . . 5787 1 495 . 1 1 37 37 ILE CD1 C 13 14.589 0.2 . 1 . . . . . . . . 5787 1 496 . 1 1 37 37 ILE N N 15 115.442 0.1 . 1 . . . . . . . . 5787 1 497 . 1 1 38 38 TYR H H 1 8.772 0.02 . 1 . . . . . . . . 5787 1 498 . 1 1 38 38 TYR HA H 1 5.380 0.02 . 1 . . . . . . . . 5787 1 499 . 1 1 38 38 TYR HB2 H 1 3.432 0.02 . 1 . . . . . . . . 5787 1 500 . 1 1 38 38 TYR HB3 H 1 2.483 0.02 . 1 . . . . . . . . 5787 1 501 . 1 1 38 38 TYR HD1 H 1 7.132 0.02 . 1 . . . . . . . . 5787 1 502 . 1 1 38 38 TYR HD2 H 1 7.132 0.02 . 1 . . . . . . . . 5787 1 503 . 1 1 38 38 TYR HE1 H 1 6.711 0.02 . 1 . . . . . . . . 5787 1 504 . 1 1 38 38 TYR HE2 H 1 6.711 0.02 . 1 . . . . . . . . 5787 1 505 . 1 1 38 38 TYR C C 13 172.784 0.2 . 1 . . . . . . . . 5787 1 506 . 1 1 38 38 TYR CA C 13 55.570 0.2 . 1 . . . . . . . . 5787 1 507 . 1 1 38 38 TYR CB C 13 36.909 0.2 . 1 . . . . . . . . 5787 1 508 . 1 1 38 38 TYR CD1 C 13 133.664 0.2 . 1 . . . . . . . . 5787 1 509 . 1 1 38 38 TYR CD2 C 13 133.664 0.2 . 1 . . . . . . . . 5787 1 510 . 1 1 38 38 TYR CE1 C 13 117.883 0.2 . 1 . . . . . . . . 5787 1 511 . 1 1 38 38 TYR CE2 C 13 117.883 0.2 . 1 . . . . . . . . 5787 1 512 . 1 1 38 38 TYR N N 15 128.355 0.1 . 1 . . . . . . . . 5787 1 513 . 1 1 39 39 ALA H H 1 7.728 0.02 . 1 . . . . . . . . 5787 1 514 . 1 1 39 39 ALA HA H 1 4.442 0.02 . 1 . . . . . . . . 5787 1 515 . 1 1 39 39 ALA HB1 H 1 1.455 0.02 . 1 . . . . . . . . 5787 1 516 . 1 1 39 39 ALA HB2 H 1 1.455 0.02 . 1 . . . . . . . . 5787 1 517 . 1 1 39 39 ALA HB3 H 1 1.455 0.02 . 1 . . . . . . . . 5787 1 518 . 1 1 39 39 ALA C C 13 175.251 0.2 . 1 . . . . . . . . 5787 1 519 . 1 1 39 39 ALA CA C 13 51.200 0.2 . 1 . . . . . . . . 5787 1 520 . 1 1 39 39 ALA CB C 13 22.429 0.2 . 1 . . . . . . . . 5787 1 521 . 1 1 39 39 ALA N N 15 128.125 0.1 . 1 . . . . . . . . 5787 1 522 . 1 1 40 40 LEU H H 1 8.140 0.02 . 1 . . . . . . . . 5787 1 523 . 1 1 40 40 LEU HA H 1 4.715 0.02 . 1 . . . . . . . . 5787 1 524 . 1 1 40 40 LEU HB2 H 1 1.681 0.02 . 1 . . . . . . . . 5787 1 525 . 1 1 40 40 LEU HB3 H 1 1.786 0.02 . 1 . . . . . . . . 5787 1 526 . 1 1 40 40 LEU HG H 1 1.843 0.02 . 1 . . . . . . . . 5787 1 527 . 1 1 40 40 LEU HD11 H 1 1.036 0.02 . 1 . . . . . . . . 5787 1 528 . 1 1 40 40 LEU HD12 H 1 1.036 0.02 . 1 . . . . . . . . 5787 1 529 . 1 1 40 40 LEU HD13 H 1 1.036 0.02 . 1 . . . . . . . . 5787 1 530 . 1 1 40 40 LEU HD21 H 1 1.036 0.02 . 1 . . . . . . . . 5787 1 531 . 1 1 40 40 LEU HD22 H 1 1.036 0.02 . 1 . . . . . . . . 5787 1 532 . 1 1 40 40 LEU HD23 H 1 1.036 0.02 . 1 . . . . . . . . 5787 1 533 . 1 1 40 40 LEU C C 13 177.113 0.2 . 1 . . . . . . . . 5787 1 534 . 1 1 40 40 LEU CA C 13 52.531 0.2 . 1 . . . . . . . . 5787 1 535 . 1 1 40 40 LEU CB C 13 40.921 0.2 . 1 . . . . . . . . 5787 1 536 . 1 1 40 40 LEU CG C 13 26.683 0.2 . 1 . . . . . . . . 5787 1 537 . 1 1 40 40 LEU CD1 C 13 24.543 0.2 . 1 . . . . . . . . 5787 1 538 . 1 1 40 40 LEU CD2 C 13 24.543 0.2 . 1 . . . . . . . . 5787 1 539 . 1 1 40 40 LEU N N 15 120.145 0.1 . 1 . . . . . . . . 5787 1 540 . 1 1 41 41 PRO HA H 1 4.339 0.02 . 1 . . . . . . . . 5787 1 541 . 1 1 41 41 PRO HB2 H 1 2.487 0.02 . 1 . . . . . . . . 5787 1 542 . 1 1 41 41 PRO HB3 H 1 2.341 0.02 . 1 . . . . . . . . 5787 1 543 . 1 1 41 41 PRO HG2 H 1 2.267 0.02 . 1 . . . . . . . . 5787 1 544 . 1 1 41 41 PRO HG3 H 1 2.140 0.02 . 1 . . . . . . . . 5787 1 545 . 1 1 41 41 PRO HD2 H 1 4.097 0.02 . 1 . . . . . . . . 5787 1 546 . 1 1 41 41 PRO HD3 H 1 3.927 0.02 . 1 . . . . . . . . 5787 1 547 . 1 1 41 41 PRO C C 13 179.156 0.2 . 1 . . . . . . . . 5787 1 548 . 1 1 41 41 PRO CA C 13 65.585 0.2 . 1 . . . . . . . . 5787 1 549 . 1 1 41 41 PRO CB C 13 31.603 0.2 . 1 . . . . . . . . 5787 1 550 . 1 1 41 41 PRO CG C 13 27.677 0.2 . 1 . . . . . . . . 5787 1 551 . 1 1 41 41 PRO CD C 13 50.167 0.2 . 1 . . . . . . . . 5787 1 552 . 1 1 42 42 GLY H H 1 8.858 0.02 . 1 . . . . . . . . 5787 1 553 . 1 1 42 42 GLY HA2 H 1 4.045 0.02 . 1 . . . . . . . . 5787 1 554 . 1 1 42 42 GLY HA3 H 1 3.837 0.02 . 1 . . . . . . . . 5787 1 555 . 1 1 42 42 GLY C C 13 176.320 0.2 . 1 . . . . . . . . 5787 1 556 . 1 1 42 42 GLY CA C 13 47.076 0.2 . 1 . . . . . . . . 5787 1 557 . 1 1 42 42 GLY N N 15 103.295 0.1 . 1 . . . . . . . . 5787 1 558 . 1 1 43 43 ARG H H 1 7.404 0.02 . 1 . . . . . . . . 5787 1 559 . 1 1 43 43 ARG HA H 1 4.320 0.02 . 1 . . . . . . . . 5787 1 560 . 1 1 43 43 ARG HB2 H 1 2.160 0.02 . 1 . . . . . . . . 5787 1 561 . 1 1 43 43 ARG HB3 H 1 2.160 0.02 . 1 . . . . . . . . 5787 1 562 . 1 1 43 43 ARG HG2 H 1 1.904 0.02 . 1 . . . . . . . . 5787 1 563 . 1 1 43 43 ARG HG3 H 1 1.904 0.02 . 1 . . . . . . . . 5787 1 564 . 1 1 43 43 ARG HD2 H 1 3.367 0.02 . 1 . . . . . . . . 5787 1 565 . 1 1 43 43 ARG HD3 H 1 3.367 0.02 . 1 . . . . . . . . 5787 1 566 . 1 1 43 43 ARG C C 13 177.710 0.2 . 1 . . . . . . . . 5787 1 567 . 1 1 43 43 ARG CA C 13 57.825 0.2 . 1 . . . . . . . . 5787 1 568 . 1 1 43 43 ARG CB C 13 30.238 0.2 . 1 . . . . . . . . 5787 1 569 . 1 1 43 43 ARG CG C 13 27.339 0.2 . 1 . . . . . . . . 5787 1 570 . 1 1 43 43 ARG CD C 13 43.274 0.2 . 1 . . . . . . . . 5787 1 571 . 1 1 43 43 ARG N N 15 120.365 0.1 . 1 . . . . . . . . 5787 1 572 . 1 1 44 44 VAL H H 1 7.163 0.02 . 1 . . . . . . . . 5787 1 573 . 1 1 44 44 VAL HA H 1 3.873 0.02 . 1 . . . . . . . . 5787 1 574 . 1 1 44 44 VAL HB H 1 2.242 0.02 . 1 . . . . . . . . 5787 1 575 . 1 1 44 44 VAL HG11 H 1 0.987 0.02 . 1 . . . . . . . . 5787 1 576 . 1 1 44 44 VAL HG12 H 1 0.987 0.02 . 1 . . . . . . . . 5787 1 577 . 1 1 44 44 VAL HG13 H 1 0.987 0.02 . 1 . . . . . . . . 5787 1 578 . 1 1 44 44 VAL HG21 H 1 0.987 0.02 . 1 . . . . . . . . 5787 1 579 . 1 1 44 44 VAL HG22 H 1 0.987 0.02 . 1 . . . . . . . . 5787 1 580 . 1 1 44 44 VAL HG23 H 1 0.987 0.02 . 1 . . . . . . . . 5787 1 581 . 1 1 44 44 VAL C C 13 177.064 0.2 . 1 . . . . . . . . 5787 1 582 . 1 1 44 44 VAL CA C 13 64.562 0.2 . 1 . . . . . . . . 5787 1 583 . 1 1 44 44 VAL CB C 13 31.638 0.2 . 1 . . . . . . . . 5787 1 584 . 1 1 44 44 VAL CG1 C 13 23.207 0.2 . 1 . . . . . . . . 5787 1 585 . 1 1 44 44 VAL CG2 C 13 21.775 0.2 . 1 . . . . . . . . 5787 1 586 . 1 1 44 44 VAL N N 15 116.786 0.1 . 1 . . . . . . . . 5787 1 587 . 1 1 45 45 LYS H H 1 8.582 0.02 . 1 . . . . . . . . 5787 1 588 . 1 1 45 45 LYS HA H 1 3.079 0.02 . 1 . . . . . . . . 5787 1 589 . 1 1 45 45 LYS HB2 H 1 1.673 0.02 . 1 . . . . . . . . 5787 1 590 . 1 1 45 45 LYS HB3 H 1 1.673 0.02 . 1 . . . . . . . . 5787 1 591 . 1 1 45 45 LYS HG2 H 1 1.104 0.02 . 1 . . . . . . . . 5787 1 592 . 1 1 45 45 LYS HG3 H 1 1.104 0.02 . 1 . . . . . . . . 5787 1 593 . 1 1 45 45 LYS HD2 H 1 1.563 0.02 . 1 . . . . . . . . 5787 1 594 . 1 1 45 45 LYS HD3 H 1 1.563 0.02 . 1 . . . . . . . . 5787 1 595 . 1 1 45 45 LYS C C 13 178.675 0.2 . 1 . . . . . . . . 5787 1 596 . 1 1 45 45 LYS CA C 13 59.278 0.2 . 1 . . . . . . . . 5787 1 597 . 1 1 45 45 LYS CB C 13 32.150 0.2 . 1 . . . . . . . . 5787 1 598 . 1 1 45 45 LYS CG C 13 24.311 0.2 . 1 . . . . . . . . 5787 1 599 . 1 1 45 45 LYS CD C 13 29.211 0.2 . 1 . . . . . . . . 5787 1 600 . 1 1 45 45 LYS CE C 13 41.565 0.2 . 1 . . . . . . . . 5787 1 601 . 1 1 45 45 LYS N N 15 119.463 0.1 . 1 . . . . . . . . 5787 1 602 . 1 1 46 46 ALA H H 1 7.166 0.02 . 1 . . . . . . . . 5787 1 603 . 1 1 46 46 ALA HA H 1 4.025 0.02 . 1 . . . . . . . . 5787 1 604 . 1 1 46 46 ALA HB1 H 1 1.540 0.02 . 1 . . . . . . . . 5787 1 605 . 1 1 46 46 ALA HB2 H 1 1.540 0.02 . 1 . . . . . . . . 5787 1 606 . 1 1 46 46 ALA HB3 H 1 1.540 0.02 . 1 . . . . . . . . 5787 1 607 . 1 1 46 46 ALA C C 13 179.002 0.2 . 1 . . . . . . . . 5787 1 608 . 1 1 46 46 ALA CA C 13 53.925 0.2 . 1 . . . . . . . . 5787 1 609 . 1 1 46 46 ALA CB C 13 18.369 0.2 . 1 . . . . . . . . 5787 1 610 . 1 1 46 46 ALA N N 15 117.962 0.1 . 1 . . . . . . . . 5787 1 611 . 1 1 47 47 LEU H H 1 7.386 0.02 . 1 . . . . . . . . 5787 1 612 . 1 1 47 47 LEU HA H 1 4.111 0.02 . 1 . . . . . . . . 5787 1 613 . 1 1 47 47 LEU HB2 H 1 2.018 0.02 . 1 . . . . . . . . 5787 1 614 . 1 1 47 47 LEU HB3 H 1 2.018 0.02 . 1 . . . . . . . . 5787 1 615 . 1 1 47 47 LEU HG H 1 1.352 0.02 . 1 . . . . . . . . 5787 1 616 . 1 1 47 47 LEU HD11 H 1 1.054 0.02 . 1 . . . . . . . . 5787 1 617 . 1 1 47 47 LEU HD12 H 1 1.054 0.02 . 1 . . . . . . . . 5787 1 618 . 1 1 47 47 LEU HD13 H 1 1.054 0.02 . 1 . . . . . . . . 5787 1 619 . 1 1 47 47 LEU HD21 H 1 1.054 0.02 . 1 . . . . . . . . 5787 1 620 . 1 1 47 47 LEU HD22 H 1 1.054 0.02 . 1 . . . . . . . . 5787 1 621 . 1 1 47 47 LEU HD23 H 1 1.054 0.02 . 1 . . . . . . . . 5787 1 622 . 1 1 47 47 LEU C C 13 177.889 0.2 . 1 . . . . . . . . 5787 1 623 . 1 1 47 47 LEU CA C 13 56.702 0.2 . 1 . . . . . . . . 5787 1 624 . 1 1 47 47 LEU CB C 13 41.855 0.2 . 1 . . . . . . . . 5787 1 625 . 1 1 47 47 LEU CG C 13 26.400 0.2 . 1 . . . . . . . . 5787 1 626 . 1 1 47 47 LEU CD1 C 13 23.386 0.2 . 1 . . . . . . . . 5787 1 627 . 1 1 47 47 LEU CD2 C 13 23.386 0.2 . 1 . . . . . . . . 5787 1 628 . 1 1 47 47 LEU N N 15 116.764 0.1 . 1 . . . . . . . . 5787 1 629 . 1 1 48 48 CYS H H 1 6.990 0.02 . 1 . . . . . . . . 5787 1 630 . 1 1 48 48 CYS HA H 1 4.781 0.02 . 1 . . . . . . . . 5787 1 631 . 1 1 48 48 CYS HB2 H 1 2.797 0.02 . 1 . . . . . . . . 5787 1 632 . 1 1 48 48 CYS HB3 H 1 2.049 0.02 . 1 . . . . . . . . 5787 1 633 . 1 1 48 48 CYS C C 13 174.529 0.2 . 1 . . . . . . . . 5787 1 634 . 1 1 48 48 CYS CA C 13 52.809 0.2 . 1 . . . . . . . . 5787 1 635 . 1 1 48 48 CYS CB C 13 38.237 0.2 . 1 . . . . . . . . 5787 1 636 . 1 1 48 48 CYS N N 15 110.144 0.1 . 1 . . . . . . . . 5787 1 637 . 1 1 49 49 LYS H H 1 7.041 0.02 . 1 . . . . . . . . 5787 1 638 . 1 1 49 49 LYS HA H 1 3.965 0.02 . 1 . . . . . . . . 5787 1 639 . 1 1 49 49 LYS HB2 H 1 1.814 0.02 . 1 . . . . . . . . 5787 1 640 . 1 1 49 49 LYS HB3 H 1 1.814 0.02 . 1 . . . . . . . . 5787 1 641 . 1 1 49 49 LYS HG2 H 1 1.422 0.02 . 1 . . . . . . . . 5787 1 642 . 1 1 49 49 LYS HG3 H 1 1.422 0.02 . 1 . . . . . . . . 5787 1 643 . 1 1 49 49 LYS HE2 H 1 3.081 0.02 . 1 . . . . . . . . 5787 1 644 . 1 1 49 49 LYS HE3 H 1 3.081 0.02 . 1 . . . . . . . . 5787 1 645 . 1 1 49 49 LYS C C 13 176.985 0.2 . 1 . . . . . . . . 5787 1 646 . 1 1 49 49 LYS CA C 13 58.184 0.2 . 1 . . . . . . . . 5787 1 647 . 1 1 49 49 LYS CB C 13 31.833 0.2 . 1 . . . . . . . . 5787 1 648 . 1 1 49 49 LYS CG C 13 24.382 0.2 . 1 . . . . . . . . 5787 1 649 . 1 1 49 49 LYS CD C 13 28.878 0.2 . 1 . . . . . . . . 5787 1 650 . 1 1 49 49 LYS CE C 13 42.030 0.2 . 1 . . . . . . . . 5787 1 651 . 1 1 49 49 LYS N N 15 123.087 0.1 . 1 . . . . . . . . 5787 1 652 . 1 1 50 50 ASN H H 1 9.197 0.02 . 1 . . . . . . . . 5787 1 653 . 1 1 50 50 ASN HA H 1 4.220 0.02 . 1 . . . . . . . . 5787 1 654 . 1 1 50 50 ASN HB2 H 1 3.116 0.02 . 1 . . . . . . . . 5787 1 655 . 1 1 50 50 ASN HB3 H 1 2.974 0.02 . 1 . . . . . . . . 5787 1 656 . 1 1 50 50 ASN HD21 H 1 7.511 0.02 . 1 . . . . . . . . 5787 1 657 . 1 1 50 50 ASN HD22 H 1 6.866 0.02 . 1 . . . . . . . . 5787 1 658 . 1 1 50 50 ASN C C 13 173.718 0.2 . 1 . . . . . . . . 5787 1 659 . 1 1 50 50 ASN CA C 13 54.861 0.2 . 1 . . . . . . . . 5787 1 660 . 1 1 50 50 ASN CB C 13 37.170 0.2 . 1 . . . . . . . . 5787 1 661 . 1 1 50 50 ASN N N 15 119.510 0.1 . 1 . . . . . . . . 5787 1 662 . 1 1 50 50 ASN ND2 N 15 112.813 0.1 . 1 . . . . . . . . 5787 1 663 . 1 1 51 51 ILE H H 1 7.309 0.02 . 1 . . . . . . . . 5787 1 664 . 1 1 51 51 ILE HA H 1 4.233 0.02 . 1 . . . . . . . . 5787 1 665 . 1 1 51 51 ILE HB H 1 1.879 0.02 . 1 . . . . . . . . 5787 1 666 . 1 1 51 51 ILE HG12 H 1 1.505 0.02 . 1 . . . . . . . . 5787 1 667 . 1 1 51 51 ILE HG13 H 1 1.339 0.02 . 1 . . . . . . . . 5787 1 668 . 1 1 51 51 ILE HG21 H 1 0.892 0.02 . 1 . . . . . . . . 5787 1 669 . 1 1 51 51 ILE HG22 H 1 0.892 0.02 . 1 . . . . . . . . 5787 1 670 . 1 1 51 51 ILE HG23 H 1 0.892 0.02 . 1 . . . . . . . . 5787 1 671 . 1 1 51 51 ILE HD11 H 1 0.723 0.02 . 1 . . . . . . . . 5787 1 672 . 1 1 51 51 ILE HD12 H 1 0.723 0.02 . 1 . . . . . . . . 5787 1 673 . 1 1 51 51 ILE HD13 H 1 0.723 0.02 . 1 . . . . . . . . 5787 1 674 . 1 1 51 51 ILE C C 13 177.042 0.2 . 1 . . . . . . . . 5787 1 675 . 1 1 51 51 ILE CA C 13 57.473 0.2 . 1 . . . . . . . . 5787 1 676 . 1 1 51 51 ILE CB C 13 35.108 0.2 . 1 . . . . . . . . 5787 1 677 . 1 1 51 51 ILE CG1 C 13 25.802 0.2 . 1 . . . . . . . . 5787 1 678 . 1 1 51 51 ILE CG2 C 13 17.153 0.2 . 1 . . . . . . . . 5787 1 679 . 1 1 51 51 ILE CD1 C 13 8.501 0.2 . 1 . . . . . . . . 5787 1 680 . 1 1 51 51 ILE N N 15 120.735 0.1 . 1 . . . . . . . . 5787 1 681 . 1 1 52 52 ARG H H 1 8.432 0.02 . 1 . . . . . . . . 5787 1 682 . 1 1 52 52 ARG HA H 1 4.125 0.02 . 1 . . . . . . . . 5787 1 683 . 1 1 52 52 ARG HB2 H 1 1.801 0.02 . 1 . . . . . . . . 5787 1 684 . 1 1 52 52 ARG HB3 H 1 1.801 0.02 . 1 . . . . . . . . 5787 1 685 . 1 1 52 52 ARG HG2 H 1 1.751 0.02 . 1 . . . . . . . . 5787 1 686 . 1 1 52 52 ARG HG3 H 1 1.751 0.02 . 1 . . . . . . . . 5787 1 687 . 1 1 52 52 ARG HD2 H 1 3.282 0.02 . 1 . . . . . . . . 5787 1 688 . 1 1 52 52 ARG HD3 H 1 3.282 0.02 . 1 . . . . . . . . 5787 1 689 . 1 1 52 52 ARG C C 13 176.307 0.2 . 1 . . . . . . . . 5787 1 690 . 1 1 52 52 ARG CA C 13 56.695 0.2 . 1 . . . . . . . . 5787 1 691 . 1 1 52 52 ARG CB C 13 30.441 0.2 . 1 . . . . . . . . 5787 1 692 . 1 1 52 52 ARG CG C 13 27.606 0.2 . 1 . . . . . . . . 5787 1 693 . 1 1 52 52 ARG CD C 13 43.216 0.2 . 1 . . . . . . . . 5787 1 694 . 1 1 52 52 ARG N N 15 129.476 0.1 . 1 . . . . . . . . 5787 1 695 . 1 1 53 53 ASP H H 1 8.515 0.02 . 1 . . . . . . . . 5787 1 696 . 1 1 53 53 ASP HA H 1 4.588 0.02 . 1 . . . . . . . . 5787 1 697 . 1 1 53 53 ASP HB2 H 1 2.779 0.02 . 1 . . . . . . . . 5787 1 698 . 1 1 53 53 ASP HB3 H 1 2.779 0.02 . 1 . . . . . . . . 5787 1 699 . 1 1 53 53 ASP C C 13 176.899 0.2 . 1 . . . . . . . . 5787 1 700 . 1 1 53 53 ASP CA C 13 55.753 0.2 . 1 . . . . . . . . 5787 1 701 . 1 1 53 53 ASP CB C 13 40.712 0.2 . 1 . . . . . . . . 5787 1 702 . 1 1 53 53 ASP N N 15 122.615 0.1 . 1 . . . . . . . . 5787 1 703 . 1 1 54 54 ASN H H 1 9.277 0.02 . 1 . . . . . . . . 5787 1 704 . 1 1 54 54 ASN HA H 1 4.086 0.02 . 1 . . . . . . . . 5787 1 705 . 1 1 54 54 ASN HB2 H 1 3.003 0.02 . 1 . . . . . . . . 5787 1 706 . 1 1 54 54 ASN HB3 H 1 3.003 0.02 . 1 . . . . . . . . 5787 1 707 . 1 1 54 54 ASN HD21 H 1 7.467 0.02 . 1 . . . . . . . . 5787 1 708 . 1 1 54 54 ASN HD22 H 1 6.769 0.02 . 1 . . . . . . . . 5787 1 709 . 1 1 54 54 ASN C C 13 174.092 0.2 . 1 . . . . . . . . 5787 1 710 . 1 1 54 54 ASN CA C 13 54.489 0.2 . 1 . . . . . . . . 5787 1 711 . 1 1 54 54 ASN CB C 13 36.693 0.2 . 1 . . . . . . . . 5787 1 712 . 1 1 54 54 ASN N N 15 114.423 0.1 . 1 . . . . . . . . 5787 1 713 . 1 1 54 54 ASN ND2 N 15 112.745 0.1 . 1 . . . . . . . . 5787 1 714 . 1 1 55 55 THR H H 1 7.657 0.02 . 1 . . . . . . . . 5787 1 715 . 1 1 55 55 THR HA H 1 4.521 0.02 . 1 . . . . . . . . 5787 1 716 . 1 1 55 55 THR HB H 1 4.082 0.02 . 1 . . . . . . . . 5787 1 717 . 1 1 55 55 THR HG21 H 1 1.172 0.02 . 1 . . . . . . . . 5787 1 718 . 1 1 55 55 THR HG22 H 1 1.172 0.02 . 1 . . . . . . . . 5787 1 719 . 1 1 55 55 THR HG23 H 1 1.172 0.02 . 1 . . . . . . . . 5787 1 720 . 1 1 55 55 THR C C 13 172.159 0.2 . 1 . . . . . . . . 5787 1 721 . 1 1 55 55 THR CA C 13 61.451 0.2 . 1 . . . . . . . . 5787 1 722 . 1 1 55 55 THR CB C 13 70.494 0.2 . 1 . . . . . . . . 5787 1 723 . 1 1 55 55 THR CG2 C 13 20.967 0.2 . 1 . . . . . . . . 5787 1 724 . 1 1 55 55 THR N N 15 113.306 0.1 . 1 . . . . . . . . 5787 1 725 . 1 1 56 56 ASP H H 1 8.338 0.02 . 1 . . . . . . . . 5787 1 726 . 1 1 56 56 ASP HA H 1 5.811 0.02 . 1 . . . . . . . . 5787 1 727 . 1 1 56 56 ASP HB2 H 1 2.786 0.02 . 1 . . . . . . . . 5787 1 728 . 1 1 56 56 ASP HB3 H 1 2.786 0.02 . 1 . . . . . . . . 5787 1 729 . 1 1 56 56 ASP C C 13 174.670 0.2 . 1 . . . . . . . . 5787 1 730 . 1 1 56 56 ASP CA C 13 51.182 0.2 . 1 . . . . . . . . 5787 1 731 . 1 1 56 56 ASP CB C 13 38.242 0.2 . 1 . . . . . . . . 5787 1 732 . 1 1 56 56 ASP N N 15 122.086 0.1 . 1 . . . . . . . . 5787 1 733 . 1 1 57 57 VAL H H 1 9.229 0.02 . 1 . . . . . . . . 5787 1 734 . 1 1 57 57 VAL HA H 1 4.440 0.02 . 1 . . . . . . . . 5787 1 735 . 1 1 57 57 VAL HB H 1 1.898 0.02 . 1 . . . . . . . . 5787 1 736 . 1 1 57 57 VAL HG11 H 1 0.943 0.02 . 1 . . . . . . . . 5787 1 737 . 1 1 57 57 VAL HG12 H 1 0.943 0.02 . 1 . . . . . . . . 5787 1 738 . 1 1 57 57 VAL HG13 H 1 0.943 0.02 . 1 . . . . . . . . 5787 1 739 . 1 1 57 57 VAL HG21 H 1 0.943 0.02 . 1 . . . . . . . . 5787 1 740 . 1 1 57 57 VAL HG22 H 1 0.943 0.02 . 1 . . . . . . . . 5787 1 741 . 1 1 57 57 VAL HG23 H 1 0.943 0.02 . 1 . . . . . . . . 5787 1 742 . 1 1 57 57 VAL C C 13 171.835 0.2 . 1 . . . . . . . . 5787 1 743 . 1 1 57 57 VAL CA C 13 59.488 0.2 . 1 . . . . . . . . 5787 1 744 . 1 1 57 57 VAL CB C 13 35.094 0.2 . 1 . . . . . . . . 5787 1 745 . 1 1 57 57 VAL CG1 C 13 20.905 0.2 . 1 . . . . . . . . 5787 1 746 . 1 1 57 57 VAL CG2 C 13 20.905 0.2 . 1 . . . . . . . . 5787 1 747 . 1 1 57 57 VAL N N 15 122.667 0.1 . 1 . . . . . . . . 5787 1 748 . 1 1 58 58 LEU H H 1 8.134 0.02 . 1 . . . . . . . . 5787 1 749 . 1 1 58 58 LEU HA H 1 5.203 0.02 . 1 . . . . . . . . 5787 1 750 . 1 1 58 58 LEU HB2 H 1 1.826 0.02 . 1 . . . . . . . . 5787 1 751 . 1 1 58 58 LEU HB3 H 1 1.450 0.02 . 1 . . . . . . . . 5787 1 752 . 1 1 58 58 LEU HG H 1 1.790 0.02 . 1 . . . . . . . . 5787 1 753 . 1 1 58 58 LEU HD11 H 1 0.908 0.02 . 1 . . . . . . . . 5787 1 754 . 1 1 58 58 LEU HD12 H 1 0.908 0.02 . 1 . . . . . . . . 5787 1 755 . 1 1 58 58 LEU HD13 H 1 0.908 0.02 . 1 . . . . . . . . 5787 1 756 . 1 1 58 58 LEU HD21 H 1 0.609 0.02 . 1 . . . . . . . . 5787 1 757 . 1 1 58 58 LEU HD22 H 1 0.609 0.02 . 1 . . . . . . . . 5787 1 758 . 1 1 58 58 LEU HD23 H 1 0.609 0.02 . 1 . . . . . . . . 5787 1 759 . 1 1 58 58 LEU C C 13 177.663 0.2 . 1 . . . . . . . . 5787 1 760 . 1 1 58 58 LEU CA C 13 51.953 0.2 . 1 . . . . . . . . 5787 1 761 . 1 1 58 58 LEU CB C 13 43.984 0.2 . 1 . . . . . . . . 5787 1 762 . 1 1 58 58 LEU CG C 13 26.260 0.2 . 1 . . . . . . . . 5787 1 763 . 1 1 58 58 LEU CD1 C 13 26.247 0.2 . 1 . . . . . . . . 5787 1 764 . 1 1 58 58 LEU CD2 C 13 21.872 0.2 . 1 . . . . . . . . 5787 1 765 . 1 1 58 58 LEU N N 15 127.771 0.1 . 1 . . . . . . . . 5787 1 766 . 1 1 59 59 SER H H 1 9.545 0.02 . 1 . . . . . . . . 5787 1 767 . 1 1 59 59 SER HA H 1 4.257 0.02 . 1 . . . . . . . . 5787 1 768 . 1 1 59 59 SER HB2 H 1 4.770 0.02 . 1 . . . . . . . . 5787 1 769 . 1 1 59 59 SER HB3 H 1 4.164 0.02 . 1 . . . . . . . . 5787 1 770 . 1 1 59 59 SER C C 13 172.424 0.2 . 1 . . . . . . . . 5787 1 771 . 1 1 59 59 SER CA C 13 59.318 0.2 . 1 . . . . . . . . 5787 1 772 . 1 1 59 59 SER CB C 13 64.517 0.2 . 1 . . . . . . . . 5787 1 773 . 1 1 59 59 SER N N 15 125.021 0.1 . 1 . . . . . . . . 5787 1 774 . 1 1 60 60 ARG H H 1 8.302 0.02 . 1 . . . . . . . . 5787 1 775 . 1 1 60 60 ARG HA H 1 4.371 0.02 . 1 . . . . . . . . 5787 1 776 . 1 1 60 60 ARG HB2 H 1 1.884 0.02 . 1 . . . . . . . . 5787 1 777 . 1 1 60 60 ARG HB3 H 1 1.884 0.02 . 1 . . . . . . . . 5787 1 778 . 1 1 60 60 ARG HG2 H 1 1.735 0.02 . 1 . . . . . . . . 5787 1 779 . 1 1 60 60 ARG HG3 H 1 1.735 0.02 . 1 . . . . . . . . 5787 1 780 . 1 1 60 60 ARG HD2 H 1 3.300 0.02 . 1 . . . . . . . . 5787 1 781 . 1 1 60 60 ARG HD3 H 1 3.300 0.02 . 1 . . . . . . . . 5787 1 782 . 1 1 60 60 ARG C C 13 177.433 0.2 . 1 . . . . . . . . 5787 1 783 . 1 1 60 60 ARG CA C 13 56.890 0.2 . 1 . . . . . . . . 5787 1 784 . 1 1 60 60 ARG CB C 13 30.268 0.2 . 1 . . . . . . . . 5787 1 785 . 1 1 60 60 ARG CG C 13 27.674 0.2 . 1 . . . . . . . . 5787 1 786 . 1 1 60 60 ARG CD C 13 43.021 0.2 . 1 . . . . . . . . 5787 1 787 . 1 1 60 60 ARG N N 15 119.314 0.1 . 1 . . . . . . . . 5787 1 788 . 1 1 61 61 ASP H H 1 7.951 0.02 . 1 . . . . . . . . 5787 1 789 . 1 1 61 61 ASP HA H 1 4.645 0.02 . 1 . . . . . . . . 5787 1 790 . 1 1 61 61 ASP HB2 H 1 2.306 0.02 . 1 . . . . . . . . 5787 1 791 . 1 1 61 61 ASP HB3 H 1 2.306 0.02 . 1 . . . . . . . . 5787 1 792 . 1 1 61 61 ASP C C 13 173.871 0.2 . 1 . . . . . . . . 5787 1 793 . 1 1 61 61 ASP CA C 13 52.220 0.2 . 1 . . . . . . . . 5787 1 794 . 1 1 61 61 ASP CB C 13 41.315 0.2 . 1 . . . . . . . . 5787 1 795 . 1 1 61 61 ASP N N 15 116.134 0.1 . 1 . . . . . . . . 5787 1 796 . 1 1 62 62 ALA H H 1 8.290 0.02 . 1 . . . . . . . . 5787 1 797 . 1 1 62 62 ALA HA H 1 4.316 0.02 . 1 . . . . . . . . 5787 1 798 . 1 1 62 62 ALA HB1 H 1 1.218 0.02 . 1 . . . . . . . . 5787 1 799 . 1 1 62 62 ALA HB2 H 1 1.218 0.02 . 1 . . . . . . . . 5787 1 800 . 1 1 62 62 ALA HB3 H 1 1.218 0.02 . 1 . . . . . . . . 5787 1 801 . 1 1 62 62 ALA C C 13 176.443 0.2 . 1 . . . . . . . . 5787 1 802 . 1 1 62 62 ALA CA C 13 50.208 0.2 . 1 . . . . . . . . 5787 1 803 . 1 1 62 62 ALA CB C 13 19.888 0.2 . 1 . . . . . . . . 5787 1 804 . 1 1 62 62 ALA N N 15 122.905 0.1 . 1 . . . . . . . . 5787 1 805 . 1 1 63 63 PHE H H 1 8.825 0.02 . 1 . . . . . . . . 5787 1 806 . 1 1 63 63 PHE HA H 1 4.758 0.02 . 1 . . . . . . . . 5787 1 807 . 1 1 63 63 PHE HB2 H 1 3.116 0.02 . 1 . . . . . . . . 5787 1 808 . 1 1 63 63 PHE HB3 H 1 2.811 0.02 . 1 . . . . . . . . 5787 1 809 . 1 1 63 63 PHE HD1 H 1 7.309 0.02 . 1 . . . . . . . . 5787 1 810 . 1 1 63 63 PHE HD2 H 1 7.309 0.02 . 1 . . . . . . . . 5787 1 811 . 1 1 63 63 PHE HE1 H 1 7.141 0.02 . 1 . . . . . . . . 5787 1 812 . 1 1 63 63 PHE HE2 H 1 7.141 0.02 . 1 . . . . . . . . 5787 1 813 . 1 1 63 63 PHE HZ H 1 7.190 0.02 . 1 . . . . . . . . 5787 1 814 . 1 1 63 63 PHE C C 13 173.887 0.2 . 1 . . . . . . . . 5787 1 815 . 1 1 63 63 PHE CA C 13 56.602 0.2 . 1 . . . . . . . . 5787 1 816 . 1 1 63 63 PHE CB C 13 43.601 0.2 . 1 . . . . . . . . 5787 1 817 . 1 1 63 63 PHE CD1 C 13 132.315 0.2 . 1 . . . . . . . . 5787 1 818 . 1 1 63 63 PHE CD2 C 13 132.315 0.2 . 1 . . . . . . . . 5787 1 819 . 1 1 63 63 PHE CE1 C 13 131.242 0.2 . 1 . . . . . . . . 5787 1 820 . 1 1 63 63 PHE CE2 C 13 131.242 0.2 . 1 . . . . . . . . 5787 1 821 . 1 1 63 63 PHE CZ C 13 128.585 0.2 . 1 . . . . . . . . 5787 1 822 . 1 1 63 63 PHE N N 15 121.009 0.1 . 1 . . . . . . . . 5787 1 823 . 1 1 64 64 LEU H H 1 9.379 0.02 . 1 . . . . . . . . 5787 1 824 . 1 1 64 64 LEU HA H 1 4.854 0.02 . 1 . . . . . . . . 5787 1 825 . 1 1 64 64 LEU HB2 H 1 2.248 0.02 . 1 . . . . . . . . 5787 1 826 . 1 1 64 64 LEU HB3 H 1 1.816 0.02 . 1 . . . . . . . . 5787 1 827 . 1 1 64 64 LEU HG H 1 1.599 0.02 . 1 . . . . . . . . 5787 1 828 . 1 1 64 64 LEU HD11 H 1 0.917 0.02 . 1 . . . . . . . . 5787 1 829 . 1 1 64 64 LEU HD12 H 1 0.917 0.02 . 1 . . . . . . . . 5787 1 830 . 1 1 64 64 LEU HD13 H 1 0.917 0.02 . 1 . . . . . . . . 5787 1 831 . 1 1 64 64 LEU HD21 H 1 0.917 0.02 . 1 . . . . . . . . 5787 1 832 . 1 1 64 64 LEU HD22 H 1 0.917 0.02 . 1 . . . . . . . . 5787 1 833 . 1 1 64 64 LEU HD23 H 1 0.917 0.02 . 1 . . . . . . . . 5787 1 834 . 1 1 64 64 LEU C C 13 176.135 0.2 . 1 . . . . . . . . 5787 1 835 . 1 1 64 64 LEU CA C 13 55.677 0.2 . 1 . . . . . . . . 5787 1 836 . 1 1 64 64 LEU CB C 13 42.169 0.2 . 1 . . . . . . . . 5787 1 837 . 1 1 64 64 LEU CG C 13 27.625 0.2 . 1 . . . . . . . . 5787 1 838 . 1 1 64 64 LEU CD1 C 13 25.407 0.2 . 1 . . . . . . . . 5787 1 839 . 1 1 64 64 LEU CD2 C 13 23.380 0.2 . 1 . . . . . . . . 5787 1 840 . 1 1 64 64 LEU N N 15 123.076 0.1 . 1 . . . . . . . . 5787 1 841 . 1 1 65 65 LEU H H 1 9.082 0.02 . 1 . . . . . . . . 5787 1 842 . 1 1 65 65 LEU HA H 1 5.738 0.02 . 1 . . . . . . . . 5787 1 843 . 1 1 65 65 LEU HB2 H 1 2.106 0.02 . 1 . . . . . . . . 5787 1 844 . 1 1 65 65 LEU HB3 H 1 1.259 0.02 . 1 . . . . . . . . 5787 1 845 . 1 1 65 65 LEU HG H 1 2.074 0.02 . 1 . . . . . . . . 5787 1 846 . 1 1 65 65 LEU HD11 H 1 0.969 0.02 . 1 . . . . . . . . 5787 1 847 . 1 1 65 65 LEU HD12 H 1 0.969 0.02 . 1 . . . . . . . . 5787 1 848 . 1 1 65 65 LEU HD13 H 1 0.969 0.02 . 1 . . . . . . . . 5787 1 849 . 1 1 65 65 LEU HD21 H 1 0.969 0.02 . 1 . . . . . . . . 5787 1 850 . 1 1 65 65 LEU HD22 H 1 0.969 0.02 . 1 . . . . . . . . 5787 1 851 . 1 1 65 65 LEU HD23 H 1 0.969 0.02 . 1 . . . . . . . . 5787 1 852 . 1 1 65 65 LEU C C 13 175.075 0.2 . 1 . . . . . . . . 5787 1 853 . 1 1 65 65 LEU CA C 13 51.423 0.2 . 1 . . . . . . . . 5787 1 854 . 1 1 65 65 LEU CB C 13 41.763 0.2 . 1 . . . . . . . . 5787 1 855 . 1 1 65 65 LEU CG C 13 24.769 0.2 . 1 . . . . . . . . 5787 1 856 . 1 1 65 65 LEU CD1 C 13 25.534 0.2 . 1 . . . . . . . . 5787 1 857 . 1 1 65 65 LEU CD2 C 13 25.534 0.2 . 1 . . . . . . . . 5787 1 858 . 1 1 65 65 LEU N N 15 127.886 0.1 . 1 . . . . . . . . 5787 1 859 . 1 1 66 66 PRO HA H 1 4.962 0.02 . 1 . . . . . . . . 5787 1 860 . 1 1 66 66 PRO HB2 H 1 2.456 0.02 . 1 . . . . . . . . 5787 1 861 . 1 1 66 66 PRO HB3 H 1 1.995 0.02 . 1 . . . . . . . . 5787 1 862 . 1 1 66 66 PRO HG2 H 1 1.807 0.02 . 1 . . . . . . . . 5787 1 863 . 1 1 66 66 PRO HG3 H 1 1.807 0.02 . 1 . . . . . . . . 5787 1 864 . 1 1 66 66 PRO HD2 H 1 3.931 0.02 . 1 . . . . . . . . 5787 1 865 . 1 1 66 66 PRO HD3 H 1 3.493 0.02 . 1 . . . . . . . . 5787 1 866 . 1 1 66 66 PRO C C 13 175.062 0.2 . 1 . . . . . . . . 5787 1 867 . 1 1 66 66 PRO CA C 13 62.186 0.2 . 1 . . . . . . . . 5787 1 868 . 1 1 66 66 PRO CB C 13 31.916 0.2 . 1 . . . . . . . . 5787 1 869 . 1 1 66 66 PRO CG C 13 28.117 0.2 . 1 . . . . . . . . 5787 1 870 . 1 1 66 66 PRO CD C 13 50.066 0.2 . 1 . . . . . . . . 5787 1 871 . 1 1 67 67 GLN H H 1 9.462 0.02 . 1 . . . . . . . . 5787 1 872 . 1 1 67 67 GLN HA H 1 5.370 0.02 . 1 . . . . . . . . 5787 1 873 . 1 1 67 67 GLN HB2 H 1 2.133 0.02 . 1 . . . . . . . . 5787 1 874 . 1 1 67 67 GLN HB3 H 1 2.133 0.02 . 1 . . . . . . . . 5787 1 875 . 1 1 67 67 GLN HE21 H 1 7.431 0.02 . 1 . . . . . . . . 5787 1 876 . 1 1 67 67 GLN HE22 H 1 6.696 0.02 . 1 . . . . . . . . 5787 1 877 . 1 1 67 67 GLN C C 13 174.196 0.2 . 1 . . . . . . . . 5787 1 878 . 1 1 67 67 GLN CA C 13 54.322 0.2 . 1 . . . . . . . . 5787 1 879 . 1 1 67 67 GLN CB C 13 33.583 0.2 . 1 . . . . . . . . 5787 1 880 . 1 1 67 67 GLN N N 15 125.388 0.1 . 1 . . . . . . . . 5787 1 881 . 1 1 67 67 GLN NE2 N 15 115.663 0.1 . 1 . . . . . . . . 5787 1 882 . 1 1 68 68 CYS H H 1 8.330 0.02 . 1 . . . . . . . . 5787 1 883 . 1 1 68 68 CYS HA H 1 5.519 0.02 . 1 . . . . . . . . 5787 1 884 . 1 1 68 68 CYS HB2 H 1 2.729 0.02 . 1 . . . . . . . . 5787 1 885 . 1 1 68 68 CYS HB3 H 1 2.729 0.02 . 1 . . . . . . . . 5787 1 886 . 1 1 68 68 CYS C C 13 173.214 0.2 . 1 . . . . . . . . 5787 1 887 . 1 1 68 68 CYS CA C 13 52.922 0.2 . 1 . . . . . . . . 5787 1 888 . 1 1 68 68 CYS CB C 13 40.491 0.2 . 1 . . . . . . . . 5787 1 889 . 1 1 68 68 CYS N N 15 122.909 0.1 . 1 . . . . . . . . 5787 1 890 . 1 1 69 69 ASP H H 1 8.768 0.02 . 1 . . . . . . . . 5787 1 891 . 1 1 69 69 ASP HA H 1 5.659 0.02 . 1 . . . . . . . . 5787 1 892 . 1 1 69 69 ASP HB2 H 1 2.658 0.02 . 1 . . . . . . . . 5787 1 893 . 1 1 69 69 ASP HB3 H 1 2.658 0.02 . 1 . . . . . . . . 5787 1 894 . 1 1 69 69 ASP C C 13 174.373 0.2 . 1 . . . . . . . . 5787 1 895 . 1 1 69 69 ASP CA C 13 53.152 0.2 . 1 . . . . . . . . 5787 1 896 . 1 1 69 69 ASP CB C 13 43.049 0.2 . 1 . . . . . . . . 5787 1 897 . 1 1 69 69 ASP N N 15 123.105 0.1 . 1 . . . . . . . . 5787 1 898 . 1 1 70 70 ARG H H 1 9.548 0.02 . 1 . . . . . . . . 5787 1 899 . 1 1 70 70 ARG HA H 1 3.097 0.02 . 1 . . . . . . . . 5787 1 900 . 1 1 70 70 ARG HB2 H 1 1.847 0.02 . 1 . . . . . . . . 5787 1 901 . 1 1 70 70 ARG HB3 H 1 1.847 0.02 . 1 . . . . . . . . 5787 1 902 . 1 1 70 70 ARG HG2 H 1 1.576 0.02 . 1 . . . . . . . . 5787 1 903 . 1 1 70 70 ARG HG3 H 1 1.576 0.02 . 1 . . . . . . . . 5787 1 904 . 1 1 70 70 ARG HD2 H 1 2.830 0.02 . 1 . . . . . . . . 5787 1 905 . 1 1 70 70 ARG HD3 H 1 2.830 0.02 . 1 . . . . . . . . 5787 1 906 . 1 1 70 70 ARG C C 13 176.441 0.2 . 1 . . . . . . . . 5787 1 907 . 1 1 70 70 ARG CA C 13 57.551 0.2 . 1 . . . . . . . . 5787 1 908 . 1 1 70 70 ARG CB C 13 31.216 0.2 . 1 . . . . . . . . 5787 1 909 . 1 1 70 70 ARG CG C 13 26.216 0.2 . 1 . . . . . . . . 5787 1 910 . 1 1 70 70 ARG CD C 13 43.567 0.2 . 1 . . . . . . . . 5787 1 911 . 1 1 70 70 ARG N N 15 128.389 0.1 . 1 . . . . . . . . 5787 1 912 . 1 1 71 71 ILE H H 1 8.880 0.02 . 1 . . . . . . . . 5787 1 913 . 1 1 71 71 ILE HA H 1 4.618 0.02 . 1 . . . . . . . . 5787 1 914 . 1 1 71 71 ILE HB H 1 1.994 0.02 . 1 . . . . . . . . 5787 1 915 . 1 1 71 71 ILE HG12 H 1 1.612 0.02 . 1 . . . . . . . . 5787 1 916 . 1 1 71 71 ILE HG13 H 1 1.612 0.02 . 1 . . . . . . . . 5787 1 917 . 1 1 71 71 ILE HG21 H 1 0.911 0.02 . 1 . . . . . . . . 5787 1 918 . 1 1 71 71 ILE HG22 H 1 0.911 0.02 . 1 . . . . . . . . 5787 1 919 . 1 1 71 71 ILE HG23 H 1 0.911 0.02 . 1 . . . . . . . . 5787 1 920 . 1 1 71 71 ILE HD11 H 1 0.785 0.02 . 1 . . . . . . . . 5787 1 921 . 1 1 71 71 ILE HD12 H 1 0.785 0.02 . 1 . . . . . . . . 5787 1 922 . 1 1 71 71 ILE HD13 H 1 0.785 0.02 . 1 . . . . . . . . 5787 1 923 . 1 1 71 71 ILE C C 13 175.606 0.2 . 1 . . . . . . . . 5787 1 924 . 1 1 71 71 ILE CA C 13 60.784 0.2 . 1 . . . . . . . . 5787 1 925 . 1 1 71 71 ILE CB C 13 40.021 0.2 . 1 . . . . . . . . 5787 1 926 . 1 1 71 71 ILE CG1 C 13 25.953 0.2 . 1 . . . . . . . . 5787 1 927 . 1 1 71 71 ILE CG2 C 13 18.335 0.2 . 1 . . . . . . . . 5787 1 928 . 1 1 71 71 ILE CD1 C 13 13.776 0.2 . 1 . . . . . . . . 5787 1 929 . 1 1 71 71 ILE N N 15 122.512 0.1 . 1 . . . . . . . . 5787 1 930 . 1 1 72 72 LYS H H 1 7.629 0.02 . 1 . . . . . . . . 5787 1 931 . 1 1 72 72 LYS HA H 1 4.530 0.02 . 1 . . . . . . . . 5787 1 932 . 1 1 72 72 LYS HB2 H 1 1.872 0.02 . 1 . . . . . . . . 5787 1 933 . 1 1 72 72 LYS HB3 H 1 1.872 0.02 . 1 . . . . . . . . 5787 1 934 . 1 1 72 72 LYS HG2 H 1 1.697 0.02 . 1 . . . . . . . . 5787 1 935 . 1 1 72 72 LYS HG3 H 1 1.697 0.02 . 1 . . . . . . . . 5787 1 936 . 1 1 72 72 LYS HD2 H 1 1.579 0.02 . 1 . . . . . . . . 5787 1 937 . 1 1 72 72 LYS HD3 H 1 1.579 0.02 . 1 . . . . . . . . 5787 1 938 . 1 1 72 72 LYS HE2 H 1 3.041 0.02 . 1 . . . . . . . . 5787 1 939 . 1 1 72 72 LYS HE3 H 1 3.041 0.02 . 1 . . . . . . . . 5787 1 940 . 1 1 72 72 LYS C C 13 174.004 0.2 . 1 . . . . . . . . 5787 1 941 . 1 1 72 72 LYS CA C 13 55.765 0.2 . 1 . . . . . . . . 5787 1 942 . 1 1 72 72 LYS CB C 13 36.430 0.2 . 1 . . . . . . . . 5787 1 943 . 1 1 72 72 LYS CG C 13 24.664 0.2 . 1 . . . . . . . . 5787 1 944 . 1 1 72 72 LYS CD C 13 29.006 0.2 . 1 . . . . . . . . 5787 1 945 . 1 1 72 72 LYS CE C 13 42.038 0.2 . 1 . . . . . . . . 5787 1 946 . 1 1 72 72 LYS N N 15 123.523 0.1 . 1 . . . . . . . . 5787 1 947 . 1 1 73 73 LEU H H 1 8.482 0.02 . 1 . . . . . . . . 5787 1 948 . 1 1 73 73 LEU HA H 1 4.086 0.02 . 1 . . . . . . . . 5787 1 949 . 1 1 73 73 LEU HB2 H 1 1.701 0.02 . 1 . . . . . . . . 5787 1 950 . 1 1 73 73 LEU HB3 H 1 1.701 0.02 . 1 . . . . . . . . 5787 1 951 . 1 1 73 73 LEU HG H 1 1.487 0.02 . 1 . . . . . . . . 5787 1 952 . 1 1 73 73 LEU HD11 H 1 0.974 0.02 . 1 . . . . . . . . 5787 1 953 . 1 1 73 73 LEU HD12 H 1 0.974 0.02 . 1 . . . . . . . . 5787 1 954 . 1 1 73 73 LEU HD13 H 1 0.974 0.02 . 1 . . . . . . . . 5787 1 955 . 1 1 73 73 LEU HD21 H 1 0.872 0.02 . 1 . . . . . . . . 5787 1 956 . 1 1 73 73 LEU HD22 H 1 0.872 0.02 . 1 . . . . . . . . 5787 1 957 . 1 1 73 73 LEU HD23 H 1 0.872 0.02 . 1 . . . . . . . . 5787 1 958 . 1 1 73 73 LEU C C 13 176.721 0.2 . 1 . . . . . . . . 5787 1 959 . 1 1 73 73 LEU CA C 13 53.210 0.2 . 1 . . . . . . . . 5787 1 960 . 1 1 73 73 LEU CB C 13 40.144 0.2 . 1 . . . . . . . . 5787 1 961 . 1 1 73 73 LEU CG C 13 26.645 0.2 . 1 . . . . . . . . 5787 1 962 . 1 1 73 73 LEU CD1 C 13 24.253 0.2 . 1 . . . . . . . . 5787 1 963 . 1 1 73 73 LEU CD2 C 13 21.589 0.2 . 1 . . . . . . . . 5787 1 964 . 1 1 73 73 LEU N N 15 125.672 0.1 . 1 . . . . . . . . 5787 1 965 . 1 1 74 74 PRO HA H 1 4.427 0.02 . 1 . . . . . . . . 5787 1 966 . 1 1 74 74 PRO HB2 H 1 2.546 0.02 . 2 . . . . . . . . 5787 1 967 . 1 1 74 74 PRO HB3 H 1 2.140 0.02 . 2 . . . . . . . . 5787 1 968 . 1 1 74 74 PRO HG2 H 1 2.016 0.02 . 2 . . . . . . . . 5787 1 969 . 1 1 74 74 PRO HG3 H 1 1.949 0.02 . 2 . . . . . . . . 5787 1 970 . 1 1 74 74 PRO HD2 H 1 3.729 0.02 . 2 . . . . . . . . 5787 1 971 . 1 1 74 74 PRO HD3 H 1 3.567 0.02 . 2 . . . . . . . . 5787 1 972 . 1 1 74 74 PRO C C 13 178.142 0.2 . 1 . . . . . . . . 5787 1 973 . 1 1 74 74 PRO CA C 13 63.599 0.2 . 1 . . . . . . . . 5787 1 974 . 1 1 74 74 PRO CB C 13 34.132 0.2 . 1 . . . . . . . . 5787 1 975 . 1 1 74 74 PRO CG C 13 24.651 0.2 . 1 . . . . . . . . 5787 1 976 . 1 1 74 74 PRO CD C 13 50.669 0.2 . 1 . . . . . . . . 5787 1 977 . 1 1 75 75 CYS H H 1 8.245 0.02 . 1 . . . . . . . . 5787 1 978 . 1 1 75 75 CYS HA H 1 4.786 0.02 . 1 . . . . . . . . 5787 1 979 . 1 1 75 75 CYS HB2 H 1 4.142 0.02 . 1 . . . . . . . . 5787 1 980 . 1 1 75 75 CYS HB3 H 1 2.522 0.02 . 1 . . . . . . . . 5787 1 981 . 1 1 75 75 CYS C C 13 172.657 0.2 . 1 . . . . . . . . 5787 1 982 . 1 1 75 75 CYS CA C 13 60.057 0.2 . 1 . . . . . . . . 5787 1 983 . 1 1 75 75 CYS CB C 13 51.786 0.2 . 1 . . . . . . . . 5787 1 984 . 1 1 75 75 CYS N N 15 122.909 0.1 . 1 . . . . . . . . 5787 1 985 . 1 1 76 76 HIS H H 1 8.057 0.02 . 1 . . . . . . . . 5787 1 986 . 1 1 76 76 HIS HA H 1 5.647 0.02 . 1 . . . . . . . . 5787 1 987 . 1 1 76 76 HIS HB2 H 1 3.151 0.02 . 1 . . . . . . . . 5787 1 988 . 1 1 76 76 HIS HB3 H 1 3.151 0.02 . 1 . . . . . . . . 5787 1 989 . 1 1 76 76 HIS HD2 H 1 6.885 0.02 . 1 . . . . . . . . 5787 1 990 . 1 1 76 76 HIS HE1 H 1 8.736 0.02 . 1 . . . . . . . . 5787 1 991 . 1 1 76 76 HIS C C 13 174.264 0.2 . 1 . . . . . . . . 5787 1 992 . 1 1 76 76 HIS CA C 13 53.700 0.2 . 1 . . . . . . . . 5787 1 993 . 1 1 76 76 HIS CB C 13 30.168 0.2 . 1 . . . . . . . . 5787 1 994 . 1 1 76 76 HIS CD2 C 13 118.715 0.2 . 1 . . . . . . . . 5787 1 995 . 1 1 76 76 HIS CE1 C 13 137.164 0.2 . 1 . . . . . . . . 5787 1 996 . 1 1 76 76 HIS N N 15 116.543 0.1 . 1 . . . . . . . . 5787 1 997 . 1 1 77 77 TYR H H 1 9.484 0.02 . 1 . . . . . . . . 5787 1 998 . 1 1 77 77 TYR HA H 1 4.841 0.02 . 1 . . . . . . . . 5787 1 999 . 1 1 77 77 TYR HB2 H 1 2.842 0.02 . 1 . . . . . . . . 5787 1 1000 . 1 1 77 77 TYR HB3 H 1 2.651 0.02 . 1 . . . . . . . . 5787 1 1001 . 1 1 77 77 TYR HD1 H 1 6.512 0.02 . 1 . . . . . . . . 5787 1 1002 . 1 1 77 77 TYR HD2 H 1 7.261 0.02 . 1 . . . . . . . . 5787 1 1003 . 1 1 77 77 TYR HE1 H 1 6.648 0.02 . 1 . . . . . . . . 5787 1 1004 . 1 1 77 77 TYR HE2 H 1 7.092 0.02 . 1 . . . . . . . . 5787 1 1005 . 1 1 77 77 TYR C C 13 175.220 0.2 . 1 . . . . . . . . 5787 1 1006 . 1 1 77 77 TYR CA C 13 58.593 0.2 . 1 . . . . . . . . 5787 1 1007 . 1 1 77 77 TYR CB C 13 42.918 0.2 . 1 . . . . . . . . 5787 1 1008 . 1 1 77 77 TYR CD1 C 13 131.255 0.2 . 1 . . . . . . . . 5787 1 1009 . 1 1 77 77 TYR CD2 C 13 133.781 0.2 . 1 . . . . . . . . 5787 1 1010 . 1 1 77 77 TYR CE1 C 13 117.312 0.2 . 1 . . . . . . . . 5787 1 1011 . 1 1 77 77 TYR CE2 C 13 120.672 0.2 . 1 . . . . . . . . 5787 1 1012 . 1 1 77 77 TYR N N 15 126.665 0.1 . 1 . . . . . . . . 5787 1 1013 . 1 1 78 78 LYS H H 1 8.927 0.02 . 1 . . . . . . . . 5787 1 1014 . 1 1 78 78 LYS HA H 1 4.682 0.02 . 1 . . . . . . . . 5787 1 1015 . 1 1 78 78 LYS HB2 H 1 1.821 0.02 . 1 . . . . . . . . 5787 1 1016 . 1 1 78 78 LYS HB3 H 1 1.821 0.02 . 1 . . . . . . . . 5787 1 1017 . 1 1 78 78 LYS HG2 H 1 1.468 0.02 . 1 . . . . . . . . 5787 1 1018 . 1 1 78 78 LYS HG3 H 1 1.468 0.02 . 1 . . . . . . . . 5787 1 1019 . 1 1 78 78 LYS HD2 H 1 1.727 0.02 . 1 . . . . . . . . 5787 1 1020 . 1 1 78 78 LYS HD3 H 1 1.727 0.02 . 1 . . . . . . . . 5787 1 1021 . 1 1 78 78 LYS HE2 H 1 3.023 0.02 . 1 . . . . . . . . 5787 1 1022 . 1 1 78 78 LYS HE3 H 1 3.023 0.02 . 1 . . . . . . . . 5787 1 1023 . 1 1 78 78 LYS C C 13 174.289 0.2 . 1 . . . . . . . . 5787 1 1024 . 1 1 78 78 LYS CA C 13 54.466 0.2 . 1 . . . . . . . . 5787 1 1025 . 1 1 78 78 LYS CB C 13 35.907 0.2 . 1 . . . . . . . . 5787 1 1026 . 1 1 78 78 LYS CG C 13 24.263 0.2 . 1 . . . . . . . . 5787 1 1027 . 1 1 78 78 LYS CD C 13 29.230 0.2 . 1 . . . . . . . . 5787 1 1028 . 1 1 78 78 LYS CE C 13 42.048 0.2 . 1 . . . . . . . . 5787 1 1029 . 1 1 78 78 LYS N N 15 119.381 0.1 . 1 . . . . . . . . 5787 1 1030 . 1 1 79 79 LEU H H 1 8.501 0.02 . 1 . . . . . . . . 5787 1 1031 . 1 1 79 79 LEU HA H 1 5.458 0.02 . 1 . . . . . . . . 5787 1 1032 . 1 1 79 79 LEU HB2 H 1 1.883 0.02 . 1 . . . . . . . . 5787 1 1033 . 1 1 79 79 LEU HB3 H 1 1.883 0.02 . 1 . . . . . . . . 5787 1 1034 . 1 1 79 79 LEU HG H 1 1.650 0.02 . 1 . . . . . . . . 5787 1 1035 . 1 1 79 79 LEU HD11 H 1 1.146 0.02 . 1 . . . . . . . . 5787 1 1036 . 1 1 79 79 LEU HD12 H 1 1.146 0.02 . 1 . . . . . . . . 5787 1 1037 . 1 1 79 79 LEU HD13 H 1 1.146 0.02 . 1 . . . . . . . . 5787 1 1038 . 1 1 79 79 LEU HD21 H 1 1.146 0.02 . 1 . . . . . . . . 5787 1 1039 . 1 1 79 79 LEU HD22 H 1 1.146 0.02 . 1 . . . . . . . . 5787 1 1040 . 1 1 79 79 LEU HD23 H 1 1.146 0.02 . 1 . . . . . . . . 5787 1 1041 . 1 1 79 79 LEU C C 13 176.355 0.2 . 1 . . . . . . . . 5787 1 1042 . 1 1 79 79 LEU CA C 13 53.942 0.2 . 1 . . . . . . . . 5787 1 1043 . 1 1 79 79 LEU CB C 13 43.215 0.2 . 1 . . . . . . . . 5787 1 1044 . 1 1 79 79 LEU CG C 13 26.387 0.2 . 1 . . . . . . . . 5787 1 1045 . 1 1 79 79 LEU CD1 C 13 23.308 0.2 . 1 . . . . . . . . 5787 1 1046 . 1 1 79 79 LEU CD2 C 13 23.308 0.2 . 1 . . . . . . . . 5787 1 1047 . 1 1 79 79 LEU N N 15 128.209 0.1 . 1 . . . . . . . . 5787 1 1048 . 1 1 80 80 SER H H 1 9.381 0.02 . 1 . . . . . . . . 5787 1 1049 . 1 1 80 80 SER HA H 1 4.918 0.02 . 1 . . . . . . . . 5787 1 1050 . 1 1 80 80 SER HB2 H 1 3.942 0.02 . 1 . . . . . . . . 5787 1 1051 . 1 1 80 80 SER HB3 H 1 3.942 0.02 . 1 . . . . . . . . 5787 1 1052 . 1 1 80 80 SER C C 13 172.491 0.2 . 1 . . . . . . . . 5787 1 1053 . 1 1 80 80 SER CA C 13 57.292 0.2 . 1 . . . . . . . . 5787 1 1054 . 1 1 80 80 SER CB C 13 65.552 0.2 . 1 . . . . . . . . 5787 1 1055 . 1 1 80 80 SER N N 15 124.480 0.1 . 1 . . . . . . . . 5787 1 1056 . 1 1 81 81 SER H H 1 8.389 0.02 . 1 . . . . . . . . 5787 1 1057 . 1 1 81 81 SER HA H 1 5.299 0.02 . 1 . . . . . . . . 5787 1 1058 . 1 1 81 81 SER HB2 H 1 3.864 0.02 . 1 . . . . . . . . 5787 1 1059 . 1 1 81 81 SER HB3 H 1 3.656 0.02 . 1 . . . . . . . . 5787 1 1060 . 1 1 81 81 SER C C 13 172.547 0.2 . 1 . . . . . . . . 5787 1 1061 . 1 1 81 81 SER CA C 13 57.952 0.2 . 1 . . . . . . . . 5787 1 1062 . 1 1 81 81 SER CB C 13 65.173 0.2 . 1 . . . . . . . . 5787 1 1063 . 1 1 81 81 SER N N 15 113.104 0.1 . 1 . . . . . . . . 5787 1 1064 . 1 1 82 82 SER H H 1 7.434 0.02 . 1 . . . . . . . . 5787 1 1065 . 1 1 82 82 SER HA H 1 4.786 0.02 . 1 . . . . . . . . 5787 1 1066 . 1 1 82 82 SER HB2 H 1 4.028 0.02 . 1 . . . . . . . . 5787 1 1067 . 1 1 82 82 SER HB3 H 1 4.028 0.02 . 1 . . . . . . . . 5787 1 1068 . 1 1 82 82 SER C C 13 171.599 0.2 . 1 . . . . . . . . 5787 1 1069 . 1 1 82 82 SER CA C 13 57.347 0.2 . 1 . . . . . . . . 5787 1 1070 . 1 1 82 82 SER CB C 13 65.605 0.2 . 1 . . . . . . . . 5787 1 1071 . 1 1 82 82 SER N N 15 115.981 0.1 . 1 . . . . . . . . 5787 1 1072 . 1 1 83 83 THR H H 1 8.354 0.02 . 1 . . . . . . . . 5787 1 1073 . 1 1 83 83 THR HA H 1 5.710 0.02 . 1 . . . . . . . . 5787 1 1074 . 1 1 83 83 THR HB H 1 3.957 0.02 . 1 . . . . . . . . 5787 1 1075 . 1 1 83 83 THR HG21 H 1 1.075 0.02 . 1 . . . . . . . . 5787 1 1076 . 1 1 83 83 THR HG22 H 1 1.075 0.02 . 1 . . . . . . . . 5787 1 1077 . 1 1 83 83 THR HG23 H 1 1.075 0.02 . 1 . . . . . . . . 5787 1 1078 . 1 1 83 83 THR C C 13 174.420 0.2 . 1 . . . . . . . . 5787 1 1079 . 1 1 83 83 THR CA C 13 60.587 0.2 . 1 . . . . . . . . 5787 1 1080 . 1 1 83 83 THR CB C 13 70.067 0.2 . 1 . . . . . . . . 5787 1 1081 . 1 1 83 83 THR CG2 C 13 21.310 0.2 . 1 . . . . . . . . 5787 1 1082 . 1 1 83 83 THR N N 15 115.843 0.1 . 1 . . . . . . . . 5787 1 1083 . 1 1 84 84 ASN H H 1 9.275 0.02 . 1 . . . . . . . . 5787 1 1084 . 1 1 84 84 ASN HA H 1 5.028 0.02 . 1 . . . . . . . . 5787 1 1085 . 1 1 84 84 ASN HB2 H 1 3.063 0.02 . 1 . . . . . . . . 5787 1 1086 . 1 1 84 84 ASN HB3 H 1 2.651 0.02 . 1 . . . . . . . . 5787 1 1087 . 1 1 84 84 ASN HD21 H 1 7.687 0.02 . 1 . . . . . . . . 5787 1 1088 . 1 1 84 84 ASN HD22 H 1 7.124 0.02 . 1 . . . . . . . . 5787 1 1089 . 1 1 84 84 ASN C C 13 175.259 0.2 . 1 . . . . . . . . 5787 1 1090 . 1 1 84 84 ASN CA C 13 51.276 0.2 . 1 . . . . . . . . 5787 1 1091 . 1 1 84 84 ASN CB C 13 42.555 0.2 . 1 . . . . . . . . 5787 1 1092 . 1 1 84 84 ASN N N 15 124.361 0.1 . 1 . . . . . . . . 5787 1 1093 . 1 1 84 84 ASN ND2 N 15 110.585 0.1 . 1 . . . . . . . . 5787 1 1094 . 1 1 85 85 THR H H 1 9.126 0.02 . 1 . . . . . . . . 5787 1 1095 . 1 1 85 85 THR HA H 1 4.402 0.02 . 1 . . . . . . . . 5787 1 1096 . 1 1 85 85 THR HB H 1 4.491 0.02 . 1 . . . . . . . . 5787 1 1097 . 1 1 85 85 THR HG21 H 1 1.079 0.02 . 1 . . . . . . . . 5787 1 1098 . 1 1 85 85 THR HG22 H 1 1.079 0.02 . 1 . . . . . . . . 5787 1 1099 . 1 1 85 85 THR HG23 H 1 1.079 0.02 . 1 . . . . . . . . 5787 1 1100 . 1 1 85 85 THR C C 13 175.084 0.2 . 1 . . . . . . . . 5787 1 1101 . 1 1 85 85 THR CA C 13 61.222 0.2 . 1 . . . . . . . . 5787 1 1102 . 1 1 85 85 THR CB C 13 69.207 0.2 . 1 . . . . . . . . 5787 1 1103 . 1 1 85 85 THR CG2 C 13 22.630 0.2 . 1 . . . . . . . . 5787 1 1104 . 1 1 85 85 THR N N 15 112.892 0.1 . 1 . . . . . . . . 5787 1 1105 . 1 1 86 86 ILE H H 1 8.489 0.02 . 1 . . . . . . . . 5787 1 1106 . 1 1 86 86 ILE HA H 1 5.088 0.02 . 1 . . . . . . . . 5787 1 1107 . 1 1 86 86 ILE HB H 1 1.683 0.02 . 1 . . . . . . . . 5787 1 1108 . 1 1 86 86 ILE HG12 H 1 1.540 0.02 . 1 . . . . . . . . 5787 1 1109 . 1 1 86 86 ILE HG13 H 1 1.240 0.02 . 1 . . . . . . . . 5787 1 1110 . 1 1 86 86 ILE HG21 H 1 1.082 0.02 . 1 . . . . . . . . 5787 1 1111 . 1 1 86 86 ILE HG22 H 1 1.082 0.02 . 1 . . . . . . . . 5787 1 1112 . 1 1 86 86 ILE HG23 H 1 1.082 0.02 . 1 . . . . . . . . 5787 1 1113 . 1 1 86 86 ILE HD11 H 1 0.275 0.02 . 1 . . . . . . . . 5787 1 1114 . 1 1 86 86 ILE HD12 H 1 0.275 0.02 . 1 . . . . . . . . 5787 1 1115 . 1 1 86 86 ILE HD13 H 1 0.275 0.02 . 1 . . . . . . . . 5787 1 1116 . 1 1 86 86 ILE C C 13 172.623 0.2 . 1 . . . . . . . . 5787 1 1117 . 1 1 86 86 ILE CA C 13 59.305 0.2 . 1 . . . . . . . . 5787 1 1118 . 1 1 86 86 ILE CB C 13 41.707 0.2 . 1 . . . . . . . . 5787 1 1119 . 1 1 86 86 ILE CG1 C 13 22.910 0.2 . 1 . . . . . . . . 5787 1 1120 . 1 1 86 86 ILE CG2 C 13 19.830 0.2 . 1 . . . . . . . . 5787 1 1121 . 1 1 86 86 ILE CD1 C 13 13.460 0.2 . 1 . . . . . . . . 5787 1 1122 . 1 1 86 86 ILE N N 15 110.149 0.1 . 1 . . . . . . . . 5787 1 1123 . 1 1 87 87 CYS H H 1 8.493 0.02 . 1 . . . . . . . . 5787 1 1124 . 1 1 87 87 CYS HA H 1 5.872 0.02 . 1 . . . . . . . . 5787 1 1125 . 1 1 87 87 CYS HB2 H 1 3.128 0.02 . 1 . . . . . . . . 5787 1 1126 . 1 1 87 87 CYS HB3 H 1 2.254 0.02 . 1 . . . . . . . . 5787 1 1127 . 1 1 87 87 CYS C C 13 174.138 0.2 . 1 . . . . . . . . 5787 1 1128 . 1 1 87 87 CYS CA C 13 54.222 0.2 . 1 . . . . . . . . 5787 1 1129 . 1 1 87 87 CYS CB C 13 45.904 0.2 . 1 . . . . . . . . 5787 1 1130 . 1 1 87 87 CYS N N 15 123.067 0.1 . 1 . . . . . . . . 5787 1 1131 . 1 1 88 88 ILE H H 1 9.011 0.02 . 1 . . . . . . . . 5787 1 1132 . 1 1 88 88 ILE HA H 1 5.040 0.02 . 1 . . . . . . . . 5787 1 1133 . 1 1 88 88 ILE HB H 1 1.881 0.02 . 1 . . . . . . . . 5787 1 1134 . 1 1 88 88 ILE HG12 H 1 1.234 0.02 . 1 . . . . . . . . 5787 1 1135 . 1 1 88 88 ILE HG13 H 1 1.234 0.02 . 1 . . . . . . . . 5787 1 1136 . 1 1 88 88 ILE HG21 H 1 0.823 0.02 . 1 . . . . . . . . 5787 1 1137 . 1 1 88 88 ILE HG22 H 1 0.823 0.02 . 1 . . . . . . . . 5787 1 1138 . 1 1 88 88 ILE HG23 H 1 0.823 0.02 . 1 . . . . . . . . 5787 1 1139 . 1 1 88 88 ILE HD11 H 1 0.721 0.02 . 1 . . . . . . . . 5787 1 1140 . 1 1 88 88 ILE HD12 H 1 0.721 0.02 . 1 . . . . . . . . 5787 1 1141 . 1 1 88 88 ILE HD13 H 1 0.721 0.02 . 1 . . . . . . . . 5787 1 1142 . 1 1 88 88 ILE C C 13 173.669 0.2 . 1 . . . . . . . . 5787 1 1143 . 1 1 88 88 ILE CA C 13 57.661 0.2 . 1 . . . . . . . . 5787 1 1144 . 1 1 88 88 ILE CB C 13 41.143 0.2 . 1 . . . . . . . . 5787 1 1145 . 1 1 88 88 ILE CG1 C 13 25.624 0.2 . 1 . . . . . . . . 5787 1 1146 . 1 1 88 88 ILE CG2 C 13 18.197 0.2 . 1 . . . . . . . . 5787 1 1147 . 1 1 88 88 ILE CD1 C 13 13.551 0.2 . 1 . . . . . . . . 5787 1 1148 . 1 1 88 88 ILE N N 15 126.493 0.1 . 1 . . . . . . . . 5787 1 1149 . 1 1 89 89 THR H H 1 8.190 0.02 . 1 . . . . . . . . 5787 1 1150 . 1 1 89 89 THR HA H 1 5.083 0.02 . 1 . . . . . . . . 5787 1 1151 . 1 1 89 89 THR HB H 1 3.853 0.02 . 1 . . . . . . . . 5787 1 1152 . 1 1 89 89 THR HG21 H 1 1.206 0.02 . 1 . . . . . . . . 5787 1 1153 . 1 1 89 89 THR HG22 H 1 1.206 0.02 . 1 . . . . . . . . 5787 1 1154 . 1 1 89 89 THR HG23 H 1 1.206 0.02 . 1 . . . . . . . . 5787 1 1155 . 1 1 89 89 THR C C 13 174.410 0.2 . 1 . . . . . . . . 5787 1 1156 . 1 1 89 89 THR CA C 13 61.786 0.2 . 1 . . . . . . . . 5787 1 1157 . 1 1 89 89 THR CB C 13 69.763 0.2 . 1 . . . . . . . . 5787 1 1158 . 1 1 89 89 THR CG2 C 13 22.104 0.2 . 1 . . . . . . . . 5787 1 1159 . 1 1 89 89 THR N N 15 119.068 0.1 . 1 . . . . . . . . 5787 1 1160 . 1 1 90 90 CYS H H 1 8.359 0.02 . 1 . . . . . . . . 5787 1 1161 . 1 1 90 90 CYS HA H 1 5.402 0.02 . 1 . . . . . . . . 5787 1 1162 . 1 1 90 90 CYS HB2 H 1 2.652 0.02 . 1 . . . . . . . . 5787 1 1163 . 1 1 90 90 CYS HB3 H 1 2.652 0.02 . 1 . . . . . . . . 5787 1 1164 . 1 1 90 90 CYS C C 13 174.699 0.2 . 1 . . . . . . . . 5787 1 1165 . 1 1 90 90 CYS CA C 13 53.547 0.2 . 1 . . . . . . . . 5787 1 1166 . 1 1 90 90 CYS CB C 13 40.094 0.2 . 1 . . . . . . . . 5787 1 1167 . 1 1 90 90 CYS N N 15 126.810 0.1 . 1 . . . . . . . . 5787 1 1168 . 1 1 91 91 VAL H H 1 8.905 0.02 . 1 . . . . . . . . 5787 1 1169 . 1 1 91 91 VAL HA H 1 4.038 0.02 . 1 . . . . . . . . 5787 1 1170 . 1 1 91 91 VAL HB H 1 1.844 0.02 . 1 . . . . . . . . 5787 1 1171 . 1 1 91 91 VAL HG11 H 1 0.970 0.02 . 1 . . . . . . . . 5787 1 1172 . 1 1 91 91 VAL HG12 H 1 0.970 0.02 . 1 . . . . . . . . 5787 1 1173 . 1 1 91 91 VAL HG13 H 1 0.970 0.02 . 1 . . . . . . . . 5787 1 1174 . 1 1 91 91 VAL HG21 H 1 0.970 0.02 . 1 . . . . . . . . 5787 1 1175 . 1 1 91 91 VAL HG22 H 1 0.970 0.02 . 1 . . . . . . . . 5787 1 1176 . 1 1 91 91 VAL HG23 H 1 0.970 0.02 . 1 . . . . . . . . 5787 1 1177 . 1 1 91 91 VAL C C 13 176.679 0.2 . 1 . . . . . . . . 5787 1 1178 . 1 1 91 91 VAL CA C 13 63.618 0.2 . 1 . . . . . . . . 5787 1 1179 . 1 1 91 91 VAL CB C 13 35.666 0.2 . 1 . . . . . . . . 5787 1 1180 . 1 1 91 91 VAL CG1 C 13 23.853 0.2 . 1 . . . . . . . . 5787 1 1181 . 1 1 91 91 VAL CG2 C 13 21.664 0.2 . 1 . . . . . . . . 5787 1 1182 . 1 1 91 91 VAL N N 15 122.034 0.1 . 1 . . . . . . . . 5787 1 1183 . 1 1 92 92 ASN H H 1 9.792 0.02 . 1 . . . . . . . . 5787 1 1184 . 1 1 92 92 ASN HA H 1 4.517 0.02 . 1 . . . . . . . . 5787 1 1185 . 1 1 92 92 ASN HB2 H 1 3.252 0.02 . 1 . . . . . . . . 5787 1 1186 . 1 1 92 92 ASN HB3 H 1 2.746 0.02 . 1 . . . . . . . . 5787 1 1187 . 1 1 92 92 ASN HD21 H 1 7.473 0.02 . 1 . . . . . . . . 5787 1 1188 . 1 1 92 92 ASN HD22 H 1 6.797 0.02 . 1 . . . . . . . . 5787 1 1189 . 1 1 92 92 ASN C C 13 173.942 0.2 . 1 . . . . . . . . 5787 1 1190 . 1 1 92 92 ASN CA C 13 53.760 0.2 . 1 . . . . . . . . 5787 1 1191 . 1 1 92 92 ASN CB C 13 36.908 0.2 . 1 . . . . . . . . 5787 1 1192 . 1 1 92 92 ASN N N 15 129.750 0.1 . 1 . . . . . . . . 5787 1 1193 . 1 1 92 92 ASN ND2 N 15 111.391 0.1 . 1 . . . . . . . . 5787 1 1194 . 1 1 93 93 GLN H H 1 9.391 0.02 . 1 . . . . . . . . 5787 1 1195 . 1 1 93 93 GLN HA H 1 3.596 0.02 . 1 . . . . . . . . 5787 1 1196 . 1 1 93 93 GLN HB2 H 1 2.205 0.02 . 1 . . . . . . . . 5787 1 1197 . 1 1 93 93 GLN HB3 H 1 2.205 0.02 . 1 . . . . . . . . 5787 1 1198 . 1 1 93 93 GLN HG2 H 1 2.412 0.02 . 1 . . . . . . . . 5787 1 1199 . 1 1 93 93 GLN HG3 H 1 2.412 0.02 . 1 . . . . . . . . 5787 1 1200 . 1 1 93 93 GLN HE21 H 1 7.650 0.02 . 1 . . . . . . . . 5787 1 1201 . 1 1 93 93 GLN HE22 H 1 6.766 0.02 . 1 . . . . . . . . 5787 1 1202 . 1 1 93 93 GLN C C 13 173.932 0.2 . 1 . . . . . . . . 5787 1 1203 . 1 1 93 93 GLN CA C 13 57.452 0.2 . 1 . . . . . . . . 5787 1 1204 . 1 1 93 93 GLN CB C 13 27.051 0.2 . 1 . . . . . . . . 5787 1 1205 . 1 1 93 93 GLN CG C 13 35.509 0.2 . 1 . . . . . . . . 5787 1 1206 . 1 1 93 93 GLN N N 15 107.290 0.1 . 1 . . . . . . . . 5787 1 1207 . 1 1 93 93 GLN NE2 N 15 113.043 0.1 . 1 . . . . . . . . 5787 1 1208 . 1 1 94 94 LEU H H 1 7.371 0.02 . 1 . . . . . . . . 5787 1 1209 . 1 1 94 94 LEU HA H 1 4.586 0.02 . 1 . . . . . . . . 5787 1 1210 . 1 1 94 94 LEU HB2 H 1 1.676 0.02 . 1 . . . . . . . . 5787 1 1211 . 1 1 94 94 LEU HB3 H 1 0.836 0.02 . 1 . . . . . . . . 5787 1 1212 . 1 1 94 94 LEU HG H 1 1.497 0.02 . 1 . . . . . . . . 5787 1 1213 . 1 1 94 94 LEU HD11 H 1 0.902 0.02 . 1 . . . . . . . . 5787 1 1214 . 1 1 94 94 LEU HD12 H 1 0.902 0.02 . 1 . . . . . . . . 5787 1 1215 . 1 1 94 94 LEU HD13 H 1 0.902 0.02 . 1 . . . . . . . . 5787 1 1216 . 1 1 94 94 LEU HD21 H 1 0.213 0.02 . 1 . . . . . . . . 5787 1 1217 . 1 1 94 94 LEU HD22 H 1 0.213 0.02 . 1 . . . . . . . . 5787 1 1218 . 1 1 94 94 LEU HD23 H 1 0.213 0.02 . 1 . . . . . . . . 5787 1 1219 . 1 1 94 94 LEU C C 13 173.635 0.2 . 1 . . . . . . . . 5787 1 1220 . 1 1 94 94 LEU CA C 13 50.565 0.2 . 1 . . . . . . . . 5787 1 1221 . 1 1 94 94 LEU CB C 13 44.652 0.2 . 1 . . . . . . . . 5787 1 1222 . 1 1 94 94 LEU CG C 13 24.867 0.2 . 1 . . . . . . . . 5787 1 1223 . 1 1 94 94 LEU CD1 C 13 24.792 0.2 . 1 . . . . . . . . 5787 1 1224 . 1 1 94 94 LEU CD2 C 13 22.654 0.2 . 1 . . . . . . . . 5787 1 1225 . 1 1 94 94 LEU N N 15 117.377 0.1 . 1 . . . . . . . . 5787 1 1226 . 1 1 95 95 PRO HA H 1 4.326 0.02 . 1 . . . . . . . . 5787 1 1227 . 1 1 95 95 PRO HB2 H 1 2.274 0.02 . 2 . . . . . . . . 5787 1 1228 . 1 1 95 95 PRO HB3 H 1 2.035 0.02 . 2 . . . . . . . . 5787 1 1229 . 1 1 95 95 PRO HG2 H 1 1.964 0.02 . 1 . . . . . . . . 5787 1 1230 . 1 1 95 95 PRO HG3 H 1 1.964 0.02 . 1 . . . . . . . . 5787 1 1231 . 1 1 95 95 PRO HD2 H 1 3.577 0.02 . 1 . . . . . . . . 5787 1 1232 . 1 1 95 95 PRO HD3 H 1 3.577 0.02 . 1 . . . . . . . . 5787 1 1233 . 1 1 95 95 PRO C C 13 176.790 0.2 . 1 . . . . . . . . 5787 1 1234 . 1 1 95 95 PRO CA C 13 63.527 0.2 . 1 . . . . . . . . 5787 1 1235 . 1 1 95 95 PRO CB C 13 30.766 0.2 . 1 . . . . . . . . 5787 1 1236 . 1 1 95 95 PRO CG C 13 27.679 0.2 . 1 . . . . . . . . 5787 1 1237 . 1 1 95 95 PRO CD C 13 49.803 0.2 . 1 . . . . . . . . 5787 1 1238 . 1 1 96 96 ILE H H 1 8.390 0.02 . 1 . . . . . . . . 5787 1 1239 . 1 1 96 96 ILE HA H 1 4.662 0.02 . 1 . . . . . . . . 5787 1 1240 . 1 1 96 96 ILE HB H 1 1.487 0.02 . 1 . . . . . . . . 5787 1 1241 . 1 1 96 96 ILE HG12 H 1 1.176 0.02 . 1 . . . . . . . . 5787 1 1242 . 1 1 96 96 ILE HG13 H 1 1.176 0.02 . 1 . . . . . . . . 5787 1 1243 . 1 1 96 96 ILE HG21 H 1 0.956 0.02 . 1 . . . . . . . . 5787 1 1244 . 1 1 96 96 ILE HG22 H 1 0.956 0.02 . 1 . . . . . . . . 5787 1 1245 . 1 1 96 96 ILE HG23 H 1 0.956 0.02 . 1 . . . . . . . . 5787 1 1246 . 1 1 96 96 ILE HD11 H 1 0.838 0.02 . 1 . . . . . . . . 5787 1 1247 . 1 1 96 96 ILE HD12 H 1 0.838 0.02 . 1 . . . . . . . . 5787 1 1248 . 1 1 96 96 ILE HD13 H 1 0.838 0.02 . 1 . . . . . . . . 5787 1 1249 . 1 1 96 96 ILE C C 13 176.224 0.2 . 1 . . . . . . . . 5787 1 1250 . 1 1 96 96 ILE CA C 13 60.232 0.2 . 1 . . . . . . . . 5787 1 1251 . 1 1 96 96 ILE CB C 13 41.464 0.2 . 1 . . . . . . . . 5787 1 1252 . 1 1 96 96 ILE CG1 C 13 26.191 0.2 . 1 . . . . . . . . 5787 1 1253 . 1 1 96 96 ILE CG2 C 13 19.197 0.2 . 1 . . . . . . . . 5787 1 1254 . 1 1 96 96 ILE CD1 C 13 15.966 0.2 . 1 . . . . . . . . 5787 1 1255 . 1 1 96 96 ILE N N 15 109.865 0.1 . 1 . . . . . . . . 5787 1 1256 . 1 1 97 97 HIS H H 1 7.307 0.02 . 1 . . . . . . . . 5787 1 1257 . 1 1 97 97 HIS HA H 1 5.703 0.02 . 1 . . . . . . . . 5787 1 1258 . 1 1 97 97 HIS HB2 H 1 3.179 0.02 . 1 . . . . . . . . 5787 1 1259 . 1 1 97 97 HIS HB3 H 1 3.179 0.02 . 1 . . . . . . . . 5787 1 1260 . 1 1 97 97 HIS HD2 H 1 7.120 0.02 . 1 . . . . . . . . 5787 1 1261 . 1 1 97 97 HIS HE1 H 1 8.743 0.02 . 1 . . . . . . . . 5787 1 1262 . 1 1 97 97 HIS C C 13 173.238 0.2 . 1 . . . . . . . . 5787 1 1263 . 1 1 97 97 HIS CA C 13 54.836 0.2 . 1 . . . . . . . . 5787 1 1264 . 1 1 97 97 HIS CB C 13 32.599 0.2 . 1 . . . . . . . . 5787 1 1265 . 1 1 97 97 HIS CD2 C 13 119.416 0.2 . 1 . . . . . . . . 5787 1 1266 . 1 1 97 97 HIS CE1 C 13 138.231 0.2 . 1 . . . . . . . . 5787 1 1267 . 1 1 97 97 HIS N N 15 116.532 0.1 . 1 . . . . . . . . 5787 1 1268 . 1 1 98 98 PHE HA H 1 4.782 0.02 . 1 . . . . . . . . 5787 1 1269 . 1 1 98 98 PHE HB2 H 1 2.965 0.02 . 1 . . . . . . . . 5787 1 1270 . 1 1 98 98 PHE HB3 H 1 2.013 0.02 . 1 . . . . . . . . 5787 1 1271 . 1 1 98 98 PHE HD1 H 1 6.776 0.02 . 1 . . . . . . . . 5787 1 1272 . 1 1 98 98 PHE HD2 H 1 6.776 0.02 . 1 . . . . . . . . 5787 1 1273 . 1 1 98 98 PHE HE1 H 1 7.149 0.02 . 1 . . . . . . . . 5787 1 1274 . 1 1 98 98 PHE HE2 H 1 7.149 0.02 . 1 . . . . . . . . 5787 1 1275 . 1 1 98 98 PHE HZ H 1 7.084 0.02 . 1 . . . . . . . . 5787 1 1276 . 1 1 98 98 PHE C C 13 173.384 0.2 . 1 . . . . . . . . 5787 1 1277 . 1 1 98 98 PHE CA C 13 56.528 0.2 . 1 . . . . . . . . 5787 1 1278 . 1 1 98 98 PHE CB C 13 37.624 0.2 . 1 . . . . . . . . 5787 1 1279 . 1 1 98 98 PHE CD1 C 13 129.638 0.2 . 1 . . . . . . . . 5787 1 1280 . 1 1 98 98 PHE CD2 C 13 129.638 0.2 . 1 . . . . . . . . 5787 1 1281 . 1 1 98 98 PHE CE1 C 13 130.888 0.2 . 1 . . . . . . . . 5787 1 1282 . 1 1 98 98 PHE CE2 C 13 130.888 0.2 . 1 . . . . . . . . 5787 1 1283 . 1 1 98 98 PHE CZ C 13 129.422 0.2 . 1 . . . . . . . . 5787 1 1284 . 1 1 99 99 ALA H H 1 8.565 0.02 . 1 . . . . . . . . 5787 1 1285 . 1 1 99 99 ALA HA H 1 4.398 0.02 . 1 . . . . . . . . 5787 1 1286 . 1 1 99 99 ALA HB1 H 1 1.093 0.02 . 1 . . . . . . . . 5787 1 1287 . 1 1 99 99 ALA HB2 H 1 1.093 0.02 . 1 . . . . . . . . 5787 1 1288 . 1 1 99 99 ALA HB3 H 1 1.093 0.02 . 1 . . . . . . . . 5787 1 1289 . 1 1 99 99 ALA C C 13 176.555 0.2 . 1 . . . . . . . . 5787 1 1290 . 1 1 99 99 ALA CA C 13 52.266 0.2 . 1 . . . . . . . . 5787 1 1291 . 1 1 99 99 ALA CB C 13 20.243 0.2 . 1 . . . . . . . . 5787 1 1292 . 1 1 99 99 ALA N N 15 130.868 0.1 . 1 . . . . . . . . 5787 1 1293 . 1 1 100 100 GLY H H 1 6.885 0.02 . 1 . . . . . . . . 5787 1 1294 . 1 1 100 100 GLY HA2 H 1 4.340 0.02 . 1 . . . . . . . . 5787 1 1295 . 1 1 100 100 GLY HA3 H 1 3.923 0.02 . 1 . . . . . . . . 5787 1 1296 . 1 1 100 100 GLY C C 13 170.140 0.2 . 1 . . . . . . . . 5787 1 1297 . 1 1 100 100 GLY CA C 13 45.285 0.2 . 1 . . . . . . . . 5787 1 1298 . 1 1 100 100 GLY N N 15 104.353 0.1 . 1 . . . . . . . . 5787 1 1299 . 1 1 101 101 VAL H H 1 8.219 0.02 . 1 . . . . . . . . 5787 1 1300 . 1 1 101 101 VAL HA H 1 4.700 0.02 . 1 . . . . . . . . 5787 1 1301 . 1 1 101 101 VAL HB H 1 2.076 0.02 . 1 . . . . . . . . 5787 1 1302 . 1 1 101 101 VAL HG11 H 1 1.074 0.02 . 1 . . . . . . . . 5787 1 1303 . 1 1 101 101 VAL HG12 H 1 1.074 0.02 . 1 . . . . . . . . 5787 1 1304 . 1 1 101 101 VAL HG13 H 1 1.074 0.02 . 1 . . . . . . . . 5787 1 1305 . 1 1 101 101 VAL HG21 H 1 1.074 0.02 . 1 . . . . . . . . 5787 1 1306 . 1 1 101 101 VAL HG22 H 1 1.074 0.02 . 1 . . . . . . . . 5787 1 1307 . 1 1 101 101 VAL HG23 H 1 1.074 0.02 . 1 . . . . . . . . 5787 1 1308 . 1 1 101 101 VAL C C 13 177.556 0.2 . 1 . . . . . . . . 5787 1 1309 . 1 1 101 101 VAL CA C 13 60.830 0.2 . 1 . . . . . . . . 5787 1 1310 . 1 1 101 101 VAL CB C 13 33.713 0.2 . 1 . . . . . . . . 5787 1 1311 . 1 1 101 101 VAL CG1 C 13 22.079 0.2 . 1 . . . . . . . . 5787 1 1312 . 1 1 101 101 VAL CG2 C 13 20.527 0.2 . 1 . . . . . . . . 5787 1 1313 . 1 1 101 101 VAL N N 15 117.083 0.1 . 1 . . . . . . . . 5787 1 1314 . 1 1 102 102 GLY H H 1 8.413 0.02 . 1 . . . . . . . . 5787 1 1315 . 1 1 102 102 GLY HA2 H 1 4.150 0.02 . 1 . . . . . . . . 5787 1 1316 . 1 1 102 102 GLY HA3 H 1 3.833 0.02 . 1 . . . . . . . . 5787 1 1317 . 1 1 102 102 GLY C C 13 173.154 0.2 . 1 . . . . . . . . 5787 1 1318 . 1 1 102 102 GLY CA C 13 45.823 0.2 . 1 . . . . . . . . 5787 1 1319 . 1 1 102 102 GLY N N 15 116.167 0.1 . 1 . . . . . . . . 5787 1 1320 . 1 1 103 103 SER H H 1 7.339 0.02 . 1 . . . . . . . . 5787 1 1321 . 1 1 103 103 SER HA H 1 4.397 0.02 . 1 . . . . . . . . 5787 1 1322 . 1 1 103 103 SER HB2 H 1 3.961 0.02 . 1 . . . . . . . . 5787 1 1323 . 1 1 103 103 SER HB3 H 1 3.851 0.02 . 1 . . . . . . . . 5787 1 1324 . 1 1 103 103 SER C C 13 172.930 0.2 . 1 . . . . . . . . 5787 1 1325 . 1 1 103 103 SER CA C 13 57.650 0.2 . 1 . . . . . . . . 5787 1 1326 . 1 1 103 103 SER CB C 13 64.174 0.2 . 1 . . . . . . . . 5787 1 1327 . 1 1 103 103 SER N N 15 111.389 0.1 . 1 . . . . . . . . 5787 1 1328 . 1 1 104 104 CYS H H 1 8.688 0.02 . 1 . . . . . . . . 5787 1 1329 . 1 1 104 104 CYS HA H 1 5.165 0.02 . 1 . . . . . . . . 5787 1 1330 . 1 1 104 104 CYS HB2 H 1 3.128 0.02 . 1 . . . . . . . . 5787 1 1331 . 1 1 104 104 CYS HB3 H 1 2.743 0.02 . 1 . . . . . . . . 5787 1 1332 . 1 1 104 104 CYS C C 13 172.716 0.2 . 1 . . . . . . . . 5787 1 1333 . 1 1 104 104 CYS CA C 13 50.601 0.2 . 1 . . . . . . . . 5787 1 1334 . 1 1 104 104 CYS CB C 13 39.770 0.2 . 1 . . . . . . . . 5787 1 1335 . 1 1 104 104 CYS N N 15 117.939 0.1 . 1 . . . . . . . . 5787 1 1336 . 1 1 105 105 PRO HA H 1 4.320 0.02 . 1 . . . . . . . . 5787 1 1337 . 1 1 105 105 PRO HB2 H 1 1.182 0.02 . 1 . . . . . . . . 5787 1 1338 . 1 1 105 105 PRO HB3 H 1 1.095 0.02 . 1 . . . . . . . . 5787 1 1339 . 1 1 105 105 PRO HG2 H 1 1.454 0.02 . 1 . . . . . . . . 5787 1 1340 . 1 1 105 105 PRO HG3 H 1 1.379 0.02 . 1 . . . . . . . . 5787 1 1341 . 1 1 105 105 PRO HD2 H 1 3.087 0.02 . 1 . . . . . . . . 5787 1 1342 . 1 1 105 105 PRO HD3 H 1 2.577 0.02 . 1 . . . . . . . . 5787 1 1343 . 1 1 105 105 PRO CA C 13 61.992 0.2 . 1 . . . . . . . . 5787 1 1344 . 1 1 105 105 PRO CB C 13 30.545 0.2 . 1 . . . . . . . . 5787 1 1345 . 1 1 105 105 PRO CG C 13 27.429 0.2 . 1 . . . . . . . . 5787 1 1346 . 1 1 105 105 PRO CD C 13 49.083 0.2 . 1 . . . . . . . . 5787 1 stop_ save_