data_15173 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15173 _Entry.Title ; The MYND domain from human AML1-ETO fused to a SMRT peptide through a TEV cleavable linker ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-14 _Entry.Accession_date 2007-03-14 _Entry.Last_release_date 2007-10-24 _Entry.Original_release_date 2007-10-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yizhou Liu . . . 15173 2 Wei Chen . . . 15173 3 Justin Gaudet . . . 15173 4 Matthew Cheney . . . 15173 5 Liya Roudaia . . . 15173 6 Tomasz Cierpicki . . . 15173 7 Rachel Klet . . . 15173 8 Kari Hartman . . . 15173 9 Thomas Laue . . . 15173 10 Nancy Speck . . . 15173 11 John Bushweller . . . 15173 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Virginia' . 15173 2 . 'Dartmouth Medical School' . 15173 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15173 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 248 15173 '15N chemical shifts' 73 15173 '1H chemical shifts' 364 15173 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-10-24 2007-03-14 original author . 15173 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2OD1 'Solution structure of the MYND domain from human AML1-ETO' 15173 PDB 2ODD 'Solution structure of the MYND domain from AML1-ETO complexed with SMRT, a corepressor' 15173 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15173 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17560331 _Citation.Full_citation . _Citation.Title ; Structural basis for recognition of SMRT/N-CoR by the MYND domain and its contribution to AML1/ETO's activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cancer Cell' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 6 _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 483 _Citation.Page_last 497 _Citation.Year 2007 _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 Yizhou Liu . . . 15173 1 2 Wei Chen . . . 15173 1 3 Justin Gaudet . . . 15173 1 4 Matthew Cheney . . . 15173 1 5 Liya Roudaia . . . 15173 1 6 Tomasz Cierpicki . . . 15173 1 7 Rachel Klet . . . 15173 1 8 Kari Hartman . . . 15173 1 9 Thomas Laue . . . 15173 1 10 Nancy Speck . . . 15173 1 11 John Bushweller . . . 15173 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'acute myeloid leukemia' 15173 1 AML1-ETO 15173 1 MYND 15173 1 'zinc finger protein' 15173 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15173 _Assembly.ID 1 _Assembly.Name SMRT-MYND _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SMRT-MYND 1 $SMRT-MYND A . yes native no no . . . 15173 1 2 'ZINC ION, 1' 2 $ZN B . no native no no . . . 15173 1 3 'ZINC ION, 2' 2 $ZN B . no native no no . . . 15173 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 coordination single . 1 SMRT-MYND 1 CYS 26 26 SG . 2 'ZINC ION, 1' 2 ZN 1 1 ZN . . . . . . . . . . 15173 1 2 coordination single . 1 SMRT-MYND 1 CYS 29 29 SG . 2 'ZINC ION, 1' 2 ZN 1 1 ZN . . . . . . . . . . 15173 1 3 coordination single . 1 SMRT-MYND 1 CYS 46 46 SG . 2 'ZINC ION, 1' 2 ZN 1 1 ZN . . . . . . . . . . 15173 1 4 coordination single . 1 SMRT-MYND 1 CYS 50 50 SG . 2 'ZINC ION, 1' 2 ZN 1 1 ZN . . . . . . . . . . 15173 1 5 coordination single . 1 SMRT-MYND 1 CYS 37 37 SG . 3 'ZINC ION, 2' 2 ZN 1 1 ZN . . . . . . . . . . 15173 1 6 coordination single . 1 SMRT-MYND 1 CYS 40 40 SG . 3 'ZINC ION, 2' 2 ZN 1 1 ZN . . . . . . . . . . 15173 1 7 coordination single . 1 SMRT-MYND 1 CYS 62 62 SG . 3 'ZINC ION, 2' 2 ZN 1 1 ZN . . . . . . . . . . 15173 1 8 coordination single . 1 SMRT-MYND 1 HIS 58 58 NE2 . 3 'ZINC ION, 2' 2 ZN 1 1 ZN . . . . . . . . . . 15173 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SMRT-MYND _Entity.Sf_category entity _Entity.Sf_framecode SMRT-MYND _Entity.Entry_ID 15173 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SMRT-MYND _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 ; TISNPPPLISSAKENLYFQG DSSESCWNCGRKASETCSGC NTARYCGSFCQHKDWEKHHH ICGQTLQAQQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15161 . ETO_MYND . . . . . 71.43 50 100.00 100.00 1.52e-27 . . . . 15173 1 2 no PDB 2OD1 . "Solution Structure Of The Mynd Domain From Human Aml1-Eto" . . . . . 71.43 60 100.00 100.00 1.47e-27 . . . . 15173 1 3 no PDB 2ODD . "Solution Structure Of The Mynd Domain From Aml1-Eto Complexed With Smrt, A Corepressor" . . . . . 81.43 64 100.00 100.00 2.10e-33 . . . . 15173 1 4 no DBJ BAA03089 . "AML1-MTG8 fusion protein [Homo sapiens]" . . . . . 74.29 752 98.08 98.08 5.40e-28 . . . . 15173 1 5 no DBJ BAA03247 . "MTG8 protein [Homo sapiens]" . . . . . 74.29 567 98.08 98.08 3.83e-28 . . . . 15173 1 6 no DBJ BAA03558 . "MTG8b protein [Homo sapiens]" . . . . . 74.29 604 98.08 98.08 7.51e-28 . . . . 15173 1 7 no DBJ BAA07755 . "MTG8a protein [Homo sapiens]" . . . . . 74.29 577 98.08 98.08 3.74e-28 . . . . 15173 1 8 no DBJ BAE72935 . "hypothetical protein [Macaca fascicularis]" . . . . . 74.29 577 98.08 98.08 4.22e-28 . . . . 15173 1 9 no EMBL CAA56311 . "ETO [Homo sapiens]" . . . . . 74.29 574 98.08 98.08 4.11e-28 . . . . 15173 1 10 no EMBL CAG33073 . "CBFA2T1 [Homo sapiens]" . . . . . 74.29 577 98.08 98.08 3.74e-28 . . . . 15173 1 11 no GB AAB34819 . "AMLI-ETO fusion protein, partial [Homo sapiens]" . . . . . 74.29 588 98.08 98.08 3.90e-28 . . . . 15173 1 12 no GB AAC28931 . "putative transcription factor [Homo sapiens]" . . . . . 74.29 577 98.08 98.08 3.74e-28 . . . . 15173 1 13 no GB AAC28932 . "putative transcription factor [Homo sapiens]" . . . . . 74.29 604 98.08 98.08 7.51e-28 . . . . 15173 1 14 no GB AAG33024 . "MTG8 [Homo sapiens]" . . . . . 65.71 91 100.00 100.00 3.64e-26 . . . . 15173 1 15 no GB AAH05850 . "Runt-related transcription factor 1; translocated to, 1 (cyclin D-related) [Homo sapiens]" . . . . . 74.29 567 98.08 98.08 3.83e-28 . . . . 15173 1 16 no REF NP_001185554 . "protein CBFA2T1 isoform A [Homo sapiens]" . . . . . 74.29 577 98.08 98.08 3.74e-28 . . . . 15173 1 17 no REF NP_001185555 . "protein CBFA2T1 isoform B [Homo sapiens]" . . . . . 74.29 604 98.08 98.08 7.51e-28 . . . . 15173 1 18 no REF NP_001185556 . "protein CBFA2T1 isoform B [Homo sapiens]" . . . . . 74.29 604 98.08 98.08 7.51e-28 . . . . 15173 1 19 no REF NP_001185557 . "protein CBFA2T1 isoform B [Homo sapiens]" . . . . . 74.29 604 98.08 98.08 7.51e-28 . . . . 15173 1 20 no REF NP_001185558 . "protein CBFA2T1 isoform B [Homo sapiens]" . . . . . 74.29 604 98.08 98.08 7.51e-28 . . . . 15173 1 21 no SP Q06455 . "RecName: Full=Protein CBFA2T1; AltName: Full=Cyclin-D-related protein; AltName: Full=Eight twenty one protein; AltName: Full=Pr" . . . . . 74.29 604 98.08 98.08 7.51e-28 . . . . 15173 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 . THR . 15173 1 2 . ILE . 15173 1 3 . SER . 15173 1 4 . ASN . 15173 1 5 . PRO . 15173 1 6 . PRO . 15173 1 7 . PRO . 15173 1 8 . LEU . 15173 1 9 . ILE . 15173 1 10 . SER . 15173 1 11 . SER . 15173 1 12 . ALA . 15173 1 13 . LYS . 15173 1 14 . GLU . 15173 1 15 . ASN . 15173 1 16 . LEU . 15173 1 17 . TYR . 15173 1 18 . PHE . 15173 1 19 . GLN . 15173 1 20 . GLY . 15173 1 21 . ASP . 15173 1 22 . SER . 15173 1 23 . SER . 15173 1 24 . GLU . 15173 1 25 . SER . 15173 1 26 . CYS . 15173 1 27 . TRP . 15173 1 28 . ASN . 15173 1 29 . CYS . 15173 1 30 . GLY . 15173 1 31 . ARG . 15173 1 32 . LYS . 15173 1 33 . ALA . 15173 1 34 . SER . 15173 1 35 . GLU . 15173 1 36 . THR . 15173 1 37 . CYS . 15173 1 38 . SER . 15173 1 39 . GLY . 15173 1 40 . CYS . 15173 1 41 . ASN . 15173 1 42 . THR . 15173 1 43 . ALA . 15173 1 44 . ARG . 15173 1 45 . TYR . 15173 1 46 . CYS . 15173 1 47 . GLY . 15173 1 48 . SER . 15173 1 49 . PHE . 15173 1 50 . CYS . 15173 1 51 . GLN . 15173 1 52 . HIS . 15173 1 53 . LYS . 15173 1 54 . ASP . 15173 1 55 . TRP . 15173 1 56 . GLU . 15173 1 57 . LYS . 15173 1 58 . HIS . 15173 1 59 . HIS . 15173 1 60 . HIS . 15173 1 61 . ILE . 15173 1 62 . CYS . 15173 1 63 . GLY . 15173 1 64 . GLN . 15173 1 65 . THR . 15173 1 66 . LEU . 15173 1 67 . GLN . 15173 1 68 . ALA . 15173 1 69 . GLN . 15173 1 70 . GLN . 15173 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 . THR 1 1 15173 1 . ILE 2 2 15173 1 . SER 3 3 15173 1 . ASN 4 4 15173 1 . PRO 5 5 15173 1 . PRO 6 6 15173 1 . PRO 7 7 15173 1 . LEU 8 8 15173 1 . ILE 9 9 15173 1 . SER 10 10 15173 1 . SER 11 11 15173 1 . ALA 12 12 15173 1 . LYS 13 13 15173 1 . GLU 14 14 15173 1 . ASN 15 15 15173 1 . LEU 16 16 15173 1 . TYR 17 17 15173 1 . PHE 18 18 15173 1 . GLN 19 19 15173 1 . GLY 20 20 15173 1 . ASP 21 21 15173 1 . SER 22 22 15173 1 . SER 23 23 15173 1 . GLU 24 24 15173 1 . SER 25 25 15173 1 . CYS 26 26 15173 1 . TRP 27 27 15173 1 . ASN 28 28 15173 1 . CYS 29 29 15173 1 . GLY 30 30 15173 1 . ARG 31 31 15173 1 . LYS 32 32 15173 1 . ALA 33 33 15173 1 . SER 34 34 15173 1 . GLU 35 35 15173 1 . THR 36 36 15173 1 . CYS 37 37 15173 1 . SER 38 38 15173 1 . GLY 39 39 15173 1 . CYS 40 40 15173 1 . ASN 41 41 15173 1 . THR 42 42 15173 1 . ALA 43 43 15173 1 . ARG 44 44 15173 1 . TYR 45 45 15173 1 . CYS 46 46 15173 1 . GLY 47 47 15173 1 . SER 48 48 15173 1 . PHE 49 49 15173 1 . CYS 50 50 15173 1 . GLN 51 51 15173 1 . HIS 52 52 15173 1 . LYS 53 53 15173 1 . ASP 54 54 15173 1 . TRP 55 55 15173 1 . GLU 56 56 15173 1 . LYS 57 57 15173 1 . HIS 58 58 15173 1 . HIS 59 59 15173 1 . HIS 60 60 15173 1 . ILE 61 61 15173 1 . CYS 62 62 15173 1 . GLY 63 63 15173 1 . GLN 64 64 15173 1 . THR 65 65 15173 1 . LEU 66 66 15173 1 . GLN 67 67 15173 1 . ALA 68 68 15173 1 . GLN 69 69 15173 1 . GLN 70 70 15173 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15173 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _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 . ZN . 15173 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 15173 _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 $SMRT-MYND . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15173 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 15173 _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 $SMRT-MYND . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX4T3 . . . . . . 15173 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 15173 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _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 . _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _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 Dec 20 05:48:03 2006 ; _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 InChI=1/Zn/q+2 INCHI InChi 1 15173 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 15173 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 15173 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15173 ZN 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 'zinc(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15173 ZN 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 ZN . ZN . . ZN . N . 2 . . . . no no . . . . . . . . . . . . . . . 15173 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15173 _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 SMRT-MYND '[U-99% 13C; U-99% 15N]' . . 1 $SMRT-MYND . . 1 . . mM . . . . 15173 1 2 'ZINC ION' 'natural abundance' . . 2 $ZN . . 50 . . uM . . . . 15173 1 3 Bis-Tris 'natural abundance' . . . . . . 25 . . mM . . . . 15173 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15173 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15173 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 25mM Bis-Tris, 5mM DTT, 5% D2O ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 15173 1 pH 6.8 . pH 15173 1 pressure 1 . atm 15173 1 temperature 310 . K 15173 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15173 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15173 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15173 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15173 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15173 _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 Varian Unity . 600 . . . 15173 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 15173 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15173 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15173 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15173 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15173 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15173 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15173 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 15173 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 15173 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132918 . . . . . . . . . 15173 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15173 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15173 1 2 '3D CBCA(CO)NH' . . . 15173 1 3 '3D HNCACB' . . . 15173 1 4 '3D HNCO' . . . 15173 1 5 '3D HCCH-TOCSY' . . . 15173 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 THR H H 1 8.196 0.000 . 1 . . . . 1 THR H . 15173 1 2 . 1 1 1 1 THR HB H 1 4.146 0.000 . 1 . . . . 1 THR HB . 15173 1 3 . 1 1 1 1 THR HG21 H 1 1.098 0.000 . 1 . . . . 1 THR HG2 . 15173 1 4 . 1 1 1 1 THR HG22 H 1 1.098 0.000 . 1 . . . . 1 THR HG2 . 15173 1 5 . 1 1 1 1 THR HG23 H 1 1.098 0.000 . 1 . . . . 1 THR HG2 . 15173 1 6 . 1 1 1 1 THR C C 13 174.378 0.000 . 1 . . . . 1 THR C . 15173 1 7 . 1 1 1 1 THR CA C 13 61.891 0.000 . 1 . . . . 1 THR CA . 15173 1 8 . 1 1 1 1 THR CB C 13 69.856 0.000 . 1 . . . . 1 THR CB . 15173 1 9 . 1 1 1 1 THR CG2 C 13 21.581 0.000 . 1 . . . . 1 THR CG2 . 15173 1 10 . 1 1 1 1 THR N N 15 123.488 0.000 . 1 . . . . 1 THR N . 15173 1 11 . 1 1 2 2 ILE H H 1 8.155 0.012 . 1 . . . . 2 ILE H . 15173 1 12 . 1 1 2 2 ILE HA H 1 4.175 0.005 . 1 . . . . 2 ILE HA . 15173 1 13 . 1 1 2 2 ILE HB H 1 1.758 0.004 . 1 . . . . 2 ILE HB . 15173 1 14 . 1 1 2 2 ILE HG12 H 1 1.090 0.005 . 2 . . . . 2 ILE HG12 . 15173 1 15 . 1 1 2 2 ILE HG13 H 1 1.356 0.006 . 2 . . . . 2 ILE HG13 . 15173 1 16 . 1 1 2 2 ILE HG21 H 1 0.791 0.007 . 1 . . . . 2 ILE HG2 . 15173 1 17 . 1 1 2 2 ILE HG22 H 1 0.791 0.007 . 1 . . . . 2 ILE HG2 . 15173 1 18 . 1 1 2 2 ILE HG23 H 1 0.791 0.007 . 1 . . . . 2 ILE HG2 . 15173 1 19 . 1 1 2 2 ILE HD11 H 1 0.652 0.006 . 1 . . . . 2 ILE HD1 . 15173 1 20 . 1 1 2 2 ILE HD12 H 1 0.652 0.006 . 1 . . . . 2 ILE HD1 . 15173 1 21 . 1 1 2 2 ILE HD13 H 1 0.652 0.006 . 1 . . . . 2 ILE HD1 . 15173 1 22 . 1 1 2 2 ILE CA C 13 61.179 0.031 . 1 . . . . 2 ILE CA . 15173 1 23 . 1 1 2 2 ILE CB C 13 38.939 0.000 . 1 . . . . 2 ILE CB . 15173 1 24 . 1 1 2 2 ILE CG1 C 13 27.190 0.072 . 1 . . . . 2 ILE CG1 . 15173 1 25 . 1 1 2 2 ILE CG2 C 13 17.540 0.000 . 1 . . . . 2 ILE CG2 . 15173 1 26 . 1 1 2 2 ILE CD1 C 13 13.055 0.000 . 1 . . . . 2 ILE CD1 . 15173 1 27 . 1 1 2 2 ILE N N 15 122.576 0.008 . 1 . . . . 2 ILE N . 15173 1 28 . 1 1 3 3 SER H H 1 8.213 0.013 . 1 . . . . 3 SER H . 15173 1 29 . 1 1 3 3 SER HA H 1 4.466 0.008 . 1 . . . . 3 SER HA . 15173 1 30 . 1 1 3 3 SER HB2 H 1 3.916 0.009 . 2 . . . . 3 SER HB2 . 15173 1 31 . 1 1 3 3 SER CA C 13 58.101 0.023 . 1 . . . . 3 SER CA . 15173 1 32 . 1 1 3 3 SER CB C 13 64.231 0.053 . 1 . . . . 3 SER CB . 15173 1 33 . 1 1 3 3 SER N N 15 119.255 0.030 . 1 . . . . 3 SER N . 15173 1 34 . 1 1 4 4 ASN H H 1 8.234 0.008 . 1 . . . . 4 ASN H . 15173 1 35 . 1 1 4 4 ASN HA H 1 4.820 0.004 . 1 . . . . 4 ASN HA . 15173 1 36 . 1 1 4 4 ASN HB2 H 1 2.423 0.006 . 2 . . . . 4 ASN HB2 . 15173 1 37 . 1 1 4 4 ASN HB3 H 1 2.553 0.004 . 2 . . . . 4 ASN HB3 . 15173 1 38 . 1 1 4 4 ASN CA C 13 51.057 0.081 . 1 . . . . 4 ASN CA . 15173 1 39 . 1 1 4 4 ASN CB C 13 38.861 0.057 . 1 . . . . 4 ASN CB . 15173 1 40 . 1 1 4 4 ASN N N 15 120.881 0.201 . 1 . . . . 4 ASN N . 15173 1 41 . 1 1 5 5 PRO HA H 1 2.443 0.007 . 1 . . . . 5 PRO HA . 15173 1 42 . 1 1 5 5 PRO HB2 H 1 0.964 0.010 . 2 . . . . 5 PRO HB2 . 15173 1 43 . 1 1 5 5 PRO HB3 H 1 1.083 0.008 . 2 . . . . 5 PRO HB3 . 15173 1 44 . 1 1 5 5 PRO HG2 H 1 0.719 0.006 . 2 . . . . 5 PRO HG2 . 15173 1 45 . 1 1 5 5 PRO HG3 H 1 0.487 0.011 . 2 . . . . 5 PRO HG3 . 15173 1 46 . 1 1 5 5 PRO HD2 H 1 2.889 0.005 . 2 . . . . 5 PRO HD2 . 15173 1 47 . 1 1 5 5 PRO HD3 H 1 3.007 0.006 . 2 . . . . 5 PRO HD3 . 15173 1 48 . 1 1 5 5 PRO CA C 13 60.461 0.098 . 1 . . . . 5 PRO CA . 15173 1 49 . 1 1 5 5 PRO CB C 13 29.737 0.040 . 1 . . . . 5 PRO CB . 15173 1 50 . 1 1 5 5 PRO CG C 13 25.829 0.040 . 1 . . . . 5 PRO CG . 15173 1 51 . 1 1 5 5 PRO CD C 13 49.718 0.017 . 1 . . . . 5 PRO CD . 15173 1 52 . 1 1 6 6 PRO HA H 1 4.478 0.004 . 1 . . . . 6 PRO HA . 15173 1 53 . 1 1 6 6 PRO HB2 H 1 1.805 0.005 . 2 . . . . 6 PRO HB2 . 15173 1 54 . 1 1 6 6 PRO HB3 H 1 2.103 0.007 . 2 . . . . 6 PRO HB3 . 15173 1 55 . 1 1 6 6 PRO HG2 H 1 1.802 0.003 . 2 . . . . 6 PRO HG2 . 15173 1 56 . 1 1 6 6 PRO HG3 H 1 1.923 0.010 . 2 . . . . 6 PRO HG3 . 15173 1 57 . 1 1 6 6 PRO HD2 H 1 2.978 0.009 . 2 . . . . 6 PRO HD2 . 15173 1 58 . 1 1 6 6 PRO HD3 H 1 3.043 0.008 . 2 . . . . 6 PRO HD3 . 15173 1 59 . 1 1 6 6 PRO CA C 13 61.284 0.049 . 1 . . . . 6 PRO CA . 15173 1 60 . 1 1 6 6 PRO CB C 13 30.777 0.026 . 1 . . . . 6 PRO CB . 15173 1 61 . 1 1 6 6 PRO CG C 13 27.974 0.036 . 1 . . . . 6 PRO CG . 15173 1 62 . 1 1 6 6 PRO CD C 13 50.496 0.037 . 1 . . . . 6 PRO CD . 15173 1 63 . 1 1 7 7 PRO HA H 1 4.333 0.004 . 1 . . . . 7 PRO HA . 15173 1 64 . 1 1 7 7 PRO HB2 H 1 1.653 0.007 . 2 . . . . 7 PRO HB2 . 15173 1 65 . 1 1 7 7 PRO HB3 H 1 2.291 0.006 . 2 . . . . 7 PRO HB3 . 15173 1 66 . 1 1 7 7 PRO HG2 H 1 1.919 0.003 . 2 . . . . 7 PRO HG2 . 15173 1 67 . 1 1 7 7 PRO HG3 H 1 1.968 0.003 . 2 . . . . 7 PRO HG3 . 15173 1 68 . 1 1 7 7 PRO HD2 H 1 3.333 0.006 . 2 . . . . 7 PRO HD2 . 15173 1 69 . 1 1 7 7 PRO HD3 H 1 3.627 0.004 . 2 . . . . 7 PRO HD3 . 15173 1 70 . 1 1 7 7 PRO C C 13 177.814 0.000 . 1 . . . . 7 PRO C . 15173 1 71 . 1 1 7 7 PRO CA C 13 63.140 0.047 . 1 . . . . 7 PRO CA . 15173 1 72 . 1 1 7 7 PRO CB C 13 32.132 0.063 . 1 . . . . 7 PRO CB . 15173 1 73 . 1 1 7 7 PRO CG C 13 27.672 0.052 . 1 . . . . 7 PRO CG . 15173 1 74 . 1 1 7 7 PRO CD C 13 49.791 0.052 . 1 . . . . 7 PRO CD . 15173 1 75 . 1 1 8 8 LEU H H 1 8.541 0.011 . 1 . . . . 8 LEU H . 15173 1 76 . 1 1 8 8 LEU HA H 1 4.757 0.005 . 1 . . . . 8 LEU HA . 15173 1 77 . 1 1 8 8 LEU HB2 H 1 1.384 0.007 . 2 . . . . 8 LEU HB2 . 15173 1 78 . 1 1 8 8 LEU HB3 H 1 1.640 0.013 . 2 . . . . 8 LEU HB3 . 15173 1 79 . 1 1 8 8 LEU HG H 1 1.624 0.008 . 1 . . . . 8 LEU HG . 15173 1 80 . 1 1 8 8 LEU HD11 H 1 0.561 0.008 . 2 . . . . 8 LEU HD1 . 15173 1 81 . 1 1 8 8 LEU HD12 H 1 0.561 0.008 . 2 . . . . 8 LEU HD1 . 15173 1 82 . 1 1 8 8 LEU HD13 H 1 0.561 0.008 . 2 . . . . 8 LEU HD1 . 15173 1 83 . 1 1 8 8 LEU C C 13 177.341 0.000 . 1 . . . . 8 LEU C . 15173 1 84 . 1 1 8 8 LEU CA C 13 54.200 0.038 . 1 . . . . 8 LEU CA . 15173 1 85 . 1 1 8 8 LEU CB C 13 42.843 0.103 . 1 . . . . 8 LEU CB . 15173 1 86 . 1 1 8 8 LEU CG C 13 26.254 0.024 . 1 . . . . 8 LEU CG . 15173 1 87 . 1 1 8 8 LEU CD1 C 13 23.864 0.059 . 2 . . . . 8 LEU CD1 . 15173 1 88 . 1 1 8 8 LEU N N 15 123.966 0.013 . 1 . . . . 8 LEU N . 15173 1 89 . 1 1 9 9 ILE H H 1 9.136 0.012 . 1 . . . . 9 ILE H . 15173 1 90 . 1 1 9 9 ILE HA H 1 4.467 0.004 . 1 . . . . 9 ILE HA . 15173 1 91 . 1 1 9 9 ILE HB H 1 1.763 0.007 . 1 . . . . 9 ILE HB . 15173 1 92 . 1 1 9 9 ILE HG12 H 1 0.981 0.010 . 2 . . . . 9 ILE HG12 . 15173 1 93 . 1 1 9 9 ILE HG13 H 1 1.351 0.005 . 2 . . . . 9 ILE HG13 . 15173 1 94 . 1 1 9 9 ILE HG21 H 1 0.856 0.005 . 1 . . . . 9 ILE HG2 . 15173 1 95 . 1 1 9 9 ILE HG22 H 1 0.856 0.005 . 1 . . . . 9 ILE HG2 . 15173 1 96 . 1 1 9 9 ILE HG23 H 1 0.856 0.005 . 1 . . . . 9 ILE HG2 . 15173 1 97 . 1 1 9 9 ILE HD11 H 1 0.764 0.007 . 1 . . . . 9 ILE HD1 . 15173 1 98 . 1 1 9 9 ILE HD12 H 1 0.764 0.007 . 1 . . . . 9 ILE HD1 . 15173 1 99 . 1 1 9 9 ILE HD13 H 1 0.764 0.007 . 1 . . . . 9 ILE HD1 . 15173 1 100 . 1 1 9 9 ILE C C 13 175.773 0.000 . 1 . . . . 9 ILE C . 15173 1 101 . 1 1 9 9 ILE CA C 13 59.832 0.056 . 1 . . . . 9 ILE CA . 15173 1 102 . 1 1 9 9 ILE CB C 13 40.989 0.090 . 1 . . . . 9 ILE CB . 15173 1 103 . 1 1 9 9 ILE CG1 C 13 26.715 0.047 . 1 . . . . 9 ILE CG1 . 15173 1 104 . 1 1 9 9 ILE CG2 C 13 17.583 0.101 . 1 . . . . 9 ILE CG2 . 15173 1 105 . 1 1 9 9 ILE CD1 C 13 13.244 0.049 . 1 . . . . 9 ILE CD1 . 15173 1 106 . 1 1 9 9 ILE N N 15 120.380 0.033 . 1 . . . . 9 ILE N . 15173 1 107 . 1 1 10 10 SER H H 1 8.591 0.009 . 1 . . . . 10 SER H . 15173 1 108 . 1 1 10 10 SER HA H 1 4.673 0.004 . 1 . . . . 10 SER HA . 15173 1 109 . 1 1 10 10 SER HB2 H 1 3.869 0.005 . 2 . . . . 10 SER HB2 . 15173 1 110 . 1 1 10 10 SER C C 13 175.261 0.000 . 1 . . . . 10 SER C . 15173 1 111 . 1 1 10 10 SER CA C 13 58.606 0.043 . 1 . . . . 10 SER CA . 15173 1 112 . 1 1 10 10 SER CB C 13 63.810 0.062 . 1 . . . . 10 SER CB . 15173 1 113 . 1 1 10 10 SER N N 15 120.684 0.014 . 1 . . . . 10 SER N . 15173 1 114 . 1 1 11 11 SER H H 1 8.402 0.013 . 1 . . . . 11 SER H . 15173 1 115 . 1 1 11 11 SER HA H 1 4.362 0.004 . 1 . . . . 11 SER HA . 15173 1 116 . 1 1 11 11 SER HB2 H 1 3.723 0.005 . 2 . . . . 11 SER HB2 . 15173 1 117 . 1 1 11 11 SER C C 13 174.158 0.000 . 1 . . . . 11 SER C . 15173 1 118 . 1 1 11 11 SER CA C 13 58.502 0.041 . 1 . . . . 11 SER CA . 15173 1 119 . 1 1 11 11 SER CB C 13 63.766 0.023 . 1 . . . . 11 SER CB . 15173 1 120 . 1 1 11 11 SER N N 15 120.046 0.018 . 1 . . . . 11 SER N . 15173 1 121 . 1 1 12 12 ALA H H 1 8.324 0.012 . 1 . . . . 12 ALA H . 15173 1 122 . 1 1 12 12 ALA HA H 1 4.287 0.012 . 1 . . . . 12 ALA HA . 15173 1 123 . 1 1 12 12 ALA HB1 H 1 1.353 0.012 . 1 . . . . 12 ALA HB . 15173 1 124 . 1 1 12 12 ALA HB2 H 1 1.353 0.012 . 1 . . . . 12 ALA HB . 15173 1 125 . 1 1 12 12 ALA HB3 H 1 1.353 0.012 . 1 . . . . 12 ALA HB . 15173 1 126 . 1 1 12 12 ALA C C 13 177.736 0.000 . 1 . . . . 12 ALA C . 15173 1 127 . 1 1 12 12 ALA CA C 13 52.692 0.109 . 1 . . . . 12 ALA CA . 15173 1 128 . 1 1 12 12 ALA CB C 13 19.280 0.061 . 1 . . . . 12 ALA CB . 15173 1 129 . 1 1 12 12 ALA N N 15 125.941 0.018 . 1 . . . . 12 ALA N . 15173 1 130 . 1 1 13 13 LYS H H 1 8.150 0.013 . 1 . . . . 13 LYS H . 15173 1 131 . 1 1 13 13 LYS HA H 1 4.200 0.004 . 1 . . . . 13 LYS HA . 15173 1 132 . 1 1 13 13 LYS HB2 H 1 1.727 0.001 . 2 . . . . 13 LYS HB2 . 15173 1 133 . 1 1 13 13 LYS HB3 H 1 1.801 0.004 . 2 . . . . 13 LYS HB3 . 15173 1 134 . 1 1 13 13 LYS HG2 H 1 1.388 0.005 . 2 . . . . 13 LYS HG2 . 15173 1 135 . 1 1 13 13 LYS HD2 H 1 1.636 0.006 . 2 . . . . 13 LYS HD2 . 15173 1 136 . 1 1 13 13 LYS CA C 13 56.805 0.095 . 1 . . . . 13 LYS CA . 15173 1 137 . 1 1 13 13 LYS CB C 13 33.030 0.047 . 1 . . . . 13 LYS CB . 15173 1 138 . 1 1 13 13 LYS CG C 13 24.712 0.058 . 1 . . . . 13 LYS CG . 15173 1 139 . 1 1 13 13 LYS CD C 13 29.052 0.000 . 1 . . . . 13 LYS CD . 15173 1 140 . 1 1 13 13 LYS CE C 13 42.229 0.064 . 1 . . . . 13 LYS CE . 15173 1 141 . 1 1 13 13 LYS N N 15 120.128 0.013 . 1 . . . . 13 LYS N . 15173 1 142 . 1 1 14 14 GLU H H 1 8.341 0.015 . 1 . . . . 14 GLU H . 15173 1 143 . 1 1 14 14 GLU CA C 13 56.953 0.000 . 1 . . . . 14 GLU CA . 15173 1 144 . 1 1 14 14 GLU CB C 13 30.044 0.000 . 1 . . . . 14 GLU CB . 15173 1 145 . 1 1 14 14 GLU CG C 13 36.359 0.000 . 1 . . . . 14 GLU CG . 15173 1 146 . 1 1 14 14 GLU N N 15 120.460 0.010 . 1 . . . . 14 GLU N . 15173 1 147 . 1 1 15 15 ASN H H 1 8.271 0.006 . 1 . . . . 15 ASN H . 15173 1 148 . 1 1 15 15 ASN HA H 1 4.604 0.003 . 1 . . . . 15 ASN HA . 15173 1 149 . 1 1 15 15 ASN HB2 H 1 2.703 0.006 . 2 . . . . 15 ASN HB2 . 15173 1 150 . 1 1 15 15 ASN HB3 H 1 2.783 0.008 . 2 . . . . 15 ASN HB3 . 15173 1 151 . 1 1 15 15 ASN CA C 13 53.367 0.036 . 1 . . . . 15 ASN CA . 15173 1 152 . 1 1 15 15 ASN CB C 13 38.802 0.040 . 1 . . . . 15 ASN CB . 15173 1 153 . 1 1 15 15 ASN N N 15 118.746 0.099 . 1 . . . . 15 ASN N . 15173 1 154 . 1 1 16 16 LEU H H 1 7.999 0.015 . 1 . . . . 16 LEU H . 15173 1 155 . 1 1 16 16 LEU HA H 1 4.156 0.003 . 1 . . . . 16 LEU HA . 15173 1 156 . 1 1 16 16 LEU HB2 H 1 1.290 0.003 . 2 . . . . 16 LEU HB2 . 15173 1 157 . 1 1 16 16 LEU HB3 H 1 1.413 0.003 . 2 . . . . 16 LEU HB3 . 15173 1 158 . 1 1 16 16 LEU HG H 1 1.401 0.005 . 1 . . . . 16 LEU HG . 15173 1 159 . 1 1 16 16 LEU HD11 H 1 0.758 0.002 . 2 . . . . 16 LEU HD1 . 15173 1 160 . 1 1 16 16 LEU HD12 H 1 0.758 0.002 . 2 . . . . 16 LEU HD1 . 15173 1 161 . 1 1 16 16 LEU HD13 H 1 0.758 0.002 . 2 . . . . 16 LEU HD1 . 15173 1 162 . 1 1 16 16 LEU HD21 H 1 0.821 0.004 . 2 . . . . 16 LEU HD2 . 15173 1 163 . 1 1 16 16 LEU HD22 H 1 0.821 0.004 . 2 . . . . 16 LEU HD2 . 15173 1 164 . 1 1 16 16 LEU HD23 H 1 0.821 0.004 . 2 . . . . 16 LEU HD2 . 15173 1 165 . 1 1 16 16 LEU CA C 13 55.862 0.189 . 1 . . . . 16 LEU CA . 15173 1 166 . 1 1 16 16 LEU CB C 13 42.298 0.030 . 1 . . . . 16 LEU CB . 15173 1 167 . 1 1 16 16 LEU CG C 13 27.108 0.017 . 1 . . . . 16 LEU CG . 15173 1 168 . 1 1 16 16 LEU CD1 C 13 23.464 0.040 . 1 . . . . 16 LEU CD1 . 15173 1 169 . 1 1 16 16 LEU CD2 C 13 24.919 0.008 . 1 . . . . 16 LEU CD2 . 15173 1 170 . 1 1 16 16 LEU N N 15 121.789 0.016 . 1 . . . . 16 LEU N . 15173 1 171 . 1 1 17 17 TYR H H 1 7.962 0.013 . 1 . . . . 17 TYR H . 15173 1 172 . 1 1 17 17 TYR HA H 1 4.482 0.006 . 1 . . . . 17 TYR HA . 15173 1 173 . 1 1 17 17 TYR HB2 H 1 2.824 0.004 . 2 . . . . 17 TYR HB2 . 15173 1 174 . 1 1 17 17 TYR HB3 H 1 2.968 0.004 . 2 . . . . 17 TYR HB3 . 15173 1 175 . 1 1 17 17 TYR HD2 H 1 7.008 0.001 . 3 . . . . 17 TYR HD2 . 15173 1 176 . 1 1 17 17 TYR HE2 H 1 6.768 0.000 . 3 . . . . 17 TYR HE2 . 15173 1 177 . 1 1 17 17 TYR CA C 13 57.854 0.044 . 1 . . . . 17 TYR CA . 15173 1 178 . 1 1 17 17 TYR CB C 13 38.573 0.042 . 1 . . . . 17 TYR CB . 15173 1 179 . 1 1 17 17 TYR CD2 C 13 130.772 0.003 . 3 . . . . 17 TYR CD2 . 15173 1 180 . 1 1 17 17 TYR N N 15 119.015 0.019 . 1 . . . . 17 TYR N . 15173 1 181 . 1 1 18 18 PHE H H 1 7.932 0.015 . 1 . . . . 18 PHE H . 15173 1 182 . 1 1 18 18 PHE HA H 1 4.541 0.001 . 1 . . . . 18 PHE HA . 15173 1 183 . 1 1 18 18 PHE HB2 H 1 3.026 0.002 . 2 . . . . 18 PHE HB2 . 15173 1 184 . 1 1 18 18 PHE HD1 H 1 7.201 0.000 . 3 . . . . 18 PHE HD1 . 15173 1 185 . 1 1 18 18 PHE CA C 13 57.756 0.042 . 1 . . . . 18 PHE CA . 15173 1 186 . 1 1 18 18 PHE CB C 13 39.620 0.000 . 1 . . . . 18 PHE CB . 15173 1 187 . 1 1 18 18 PHE N N 15 121.009 0.012 . 1 . . . . 18 PHE N . 15173 1 188 . 1 1 19 19 GLN H H 1 8.246 0.014 . 1 . . . . 19 GLN H . 15173 1 189 . 1 1 19 19 GLN HA H 1 4.248 0.000 . 1 . . . . 19 GLN HA . 15173 1 190 . 1 1 19 19 GLN HB2 H 1 2.237 0.000 . 2 . . . . 19 GLN HB2 . 15173 1 191 . 1 1 19 19 GLN CA C 13 55.820 0.000 . 1 . . . . 19 GLN CA . 15173 1 192 . 1 1 19 19 GLN CB C 13 29.538 0.000 . 1 . . . . 19 GLN CB . 15173 1 193 . 1 1 19 19 GLN CG C 13 33.963 0.000 . 1 . . . . 19 GLN CG . 15173 1 194 . 1 1 19 19 GLN N N 15 122.169 0.006 . 1 . . . . 19 GLN N . 15173 1 195 . 1 1 20 20 GLY H H 1 7.787 0.017 . 1 . . . . 20 GLY H . 15173 1 196 . 1 1 20 20 GLY HA2 H 1 3.836 0.007 . 2 . . . . 20 GLY HA2 . 15173 1 197 . 1 1 20 20 GLY HA3 H 1 3.916 0.004 . 2 . . . . 20 GLY HA3 . 15173 1 198 . 1 1 20 20 GLY CA C 13 45.389 0.063 . 1 . . . . 20 GLY CA . 15173 1 199 . 1 1 20 20 GLY N N 15 109.245 0.017 . 1 . . . . 20 GLY N . 15173 1 200 . 1 1 21 21 ASP H H 1 8.230 0.016 . 1 . . . . 21 ASP H . 15173 1 201 . 1 1 21 21 ASP HA H 1 4.614 0.001 . 1 . . . . 21 ASP HA . 15173 1 202 . 1 1 21 21 ASP HB2 H 1 2.661 0.004 . 2 . . . . 21 ASP HB2 . 15173 1 203 . 1 1 21 21 ASP CA C 13 54.509 0.091 . 1 . . . . 21 ASP CA . 15173 1 204 . 1 1 21 21 ASP CB C 13 41.554 0.018 . 1 . . . . 21 ASP CB . 15173 1 205 . 1 1 21 21 ASP N N 15 120.590 0.085 . 1 . . . . 21 ASP N . 15173 1 206 . 1 1 22 22 SER H H 1 8.341 0.015 . 1 . . . . 22 SER H . 15173 1 207 . 1 1 22 22 SER HA H 1 4.425 0.000 . 1 . . . . 22 SER HA . 15173 1 208 . 1 1 22 22 SER HB2 H 1 3.853 0.010 . 2 . . . . 22 SER HB2 . 15173 1 209 . 1 1 22 22 SER CA C 13 58.707 0.000 . 1 . . . . 22 SER CA . 15173 1 210 . 1 1 22 22 SER CB C 13 63.730 0.000 . 1 . . . . 22 SER CB . 15173 1 211 . 1 1 22 22 SER N N 15 116.609 0.018 . 1 . . . . 22 SER N . 15173 1 212 . 1 1 23 23 SER H H 1 8.378 0.017 . 1 . . . . 23 SER H . 15173 1 213 . 1 1 23 23 SER HA H 1 4.430 0.007 . 1 . . . . 23 SER HA . 15173 1 214 . 1 1 23 23 SER HB2 H 1 3.829 0.000 . 2 . . . . 23 SER HB2 . 15173 1 215 . 1 1 23 23 SER HB3 H 1 3.899 0.000 . 2 . . . . 23 SER HB3 . 15173 1 216 . 1 1 23 23 SER C C 13 174.702 0.000 . 1 . . . . 23 SER C . 15173 1 217 . 1 1 23 23 SER CA C 13 58.932 0.116 . 1 . . . . 23 SER CA . 15173 1 218 . 1 1 23 23 SER CB C 13 63.857 0.000 . 1 . . . . 23 SER CB . 15173 1 219 . 1 1 23 23 SER N N 15 117.654 0.013 . 1 . . . . 23 SER N . 15173 1 220 . 1 1 24 24 GLU H H 1 8.240 0.014 . 1 . . . . 24 GLU H . 15173 1 221 . 1 1 24 24 GLU HA H 1 4.420 0.004 . 1 . . . . 24 GLU HA . 15173 1 222 . 1 1 24 24 GLU HB2 H 1 1.910 0.005 . 2 . . . . 24 GLU HB2 . 15173 1 223 . 1 1 24 24 GLU HB3 H 1 2.186 0.020 . 2 . . . . 24 GLU HB3 . 15173 1 224 . 1 1 24 24 GLU HG2 H 1 2.252 0.005 . 2 . . . . 24 GLU HG2 . 15173 1 225 . 1 1 24 24 GLU C C 13 175.660 0.000 . 1 . . . . 24 GLU C . 15173 1 226 . 1 1 24 24 GLU CA C 13 56.082 0.029 . 1 . . . . 24 GLU CA . 15173 1 227 . 1 1 24 24 GLU CB C 13 30.721 0.000 . 1 . . . . 24 GLU CB . 15173 1 228 . 1 1 24 24 GLU CG C 13 36.278 0.030 . 1 . . . . 24 GLU CG . 15173 1 229 . 1 1 24 24 GLU N N 15 121.580 0.019 . 1 . . . . 24 GLU N . 15173 1 230 . 1 1 25 25 SER H H 1 7.899 0.010 . 1 . . . . 25 SER H . 15173 1 231 . 1 1 25 25 SER HA H 1 4.497 0.006 . 1 . . . . 25 SER HA . 15173 1 232 . 1 1 25 25 SER HB2 H 1 3.571 0.006 . 2 . . . . 25 SER HB2 . 15173 1 233 . 1 1 25 25 SER C C 13 172.899 0.000 . 1 . . . . 25 SER C . 15173 1 234 . 1 1 25 25 SER CA C 13 57.938 0.028 . 1 . . . . 25 SER CA . 15173 1 235 . 1 1 25 25 SER CB C 13 64.951 0.066 . 1 . . . . 25 SER CB . 15173 1 236 . 1 1 25 25 SER N N 15 115.978 0.021 . 1 . . . . 25 SER N . 15173 1 237 . 1 1 26 26 CYS H H 1 9.519 0.009 . 1 . . . . 26 CYS H . 15173 1 238 . 1 1 26 26 CYS HA H 1 3.986 0.007 . 1 . . . . 26 CYS HA . 15173 1 239 . 1 1 26 26 CYS HB2 H 1 2.866 0.010 . 2 . . . . 26 CYS HB2 . 15173 1 240 . 1 1 26 26 CYS HB3 H 1 3.440 0.005 . 2 . . . . 26 CYS HB3 . 15173 1 241 . 1 1 26 26 CYS C C 13 178.206 0.000 . 1 . . . . 26 CYS C . 15173 1 242 . 1 1 26 26 CYS CA C 13 59.379 0.077 . 1 . . . . 26 CYS CA . 15173 1 243 . 1 1 26 26 CYS CB C 13 30.612 0.040 . 1 . . . . 26 CYS CB . 15173 1 244 . 1 1 26 26 CYS N N 15 123.555 0.021 . 1 . . . . 26 CYS N . 15173 1 245 . 1 1 27 27 TRP H H 1 9.756 0.011 . 1 . . . . 27 TRP H . 15173 1 246 . 1 1 27 27 TRP HA H 1 4.459 0.005 . 1 . . . . 27 TRP HA . 15173 1 247 . 1 1 27 27 TRP HB2 H 1 2.856 0.009 . 2 . . . . 27 TRP HB2 . 15173 1 248 . 1 1 27 27 TRP HB3 H 1 3.450 0.005 . 2 . . . . 27 TRP HB3 . 15173 1 249 . 1 1 27 27 TRP HD1 H 1 7.733 0.004 . 1 . . . . 27 TRP HD1 . 15173 1 250 . 1 1 27 27 TRP HE1 H 1 10.422 0.011 . 1 . . . . 27 TRP HE1 . 15173 1 251 . 1 1 27 27 TRP HE3 H 1 7.843 0.003 . 1 . . . . 27 TRP HE3 . 15173 1 252 . 1 1 27 27 TRP HZ2 H 1 7.389 0.003 . 1 . . . . 27 TRP HZ2 . 15173 1 253 . 1 1 27 27 TRP HZ3 H 1 7.293 0.005 . 1 . . . . 27 TRP HZ3 . 15173 1 254 . 1 1 27 27 TRP HH2 H 1 7.267 0.005 . 1 . . . . 27 TRP HH2 . 15173 1 255 . 1 1 27 27 TRP C C 13 175.698 0.000 . 1 . . . . 27 TRP C . 15173 1 256 . 1 1 27 27 TRP CA C 13 60.221 0.049 . 1 . . . . 27 TRP CA . 15173 1 257 . 1 1 27 27 TRP CB C 13 28.528 0.048 . 1 . . . . 27 TRP CB . 15173 1 258 . 1 1 27 27 TRP CD1 C 13 123.213 0.043 . 1 . . . . 27 TRP CD1 . 15173 1 259 . 1 1 27 27 TRP CE3 C 13 119.669 0.021 . 1 . . . . 27 TRP CE3 . 15173 1 260 . 1 1 27 27 TRP CZ2 C 13 112.5 0.012 . 1 . . . . 27 TRP CZ2 . 15173 1 261 . 1 1 27 27 TRP CZ3 C 13 119.669 0.016 . 1 . . . . 27 TRP CZ3 . 15173 1 262 . 1 1 27 27 TRP CH2 C 13 122.641 0.028 . 1 . . . . 27 TRP CH2 . 15173 1 263 . 1 1 27 27 TRP N N 15 133.291 0.042 . 1 . . . . 27 TRP N . 15173 1 264 . 1 1 27 27 TRP NE1 N 15 128.952 0.023 . 1 . . . . 27 TRP NE1 . 15173 1 265 . 1 1 28 28 ASN H H 1 9.591 0.011 . 1 . . . . 28 ASN H . 15173 1 266 . 1 1 28 28 ASN HA H 1 5.310 0.005 . 1 . . . . 28 ASN HA . 15173 1 267 . 1 1 28 28 ASN HB2 H 1 2.596 0.007 . 2 . . . . 28 ASN HB2 . 15173 1 268 . 1 1 28 28 ASN HB3 H 1 3.626 0.011 . 2 . . . . 28 ASN HB3 . 15173 1 269 . 1 1 28 28 ASN HD21 H 1 6.755 0.008 . 2 . . . . 28 ASN HD21 . 15173 1 270 . 1 1 28 28 ASN HD22 H 1 8.960 0.008 . 2 . . . . 28 ASN HD22 . 15173 1 271 . 1 1 28 28 ASN C C 13 175.093 0.000 . 1 . . . . 28 ASN C . 15173 1 272 . 1 1 28 28 ASN CA C 13 56.512 0.059 . 1 . . . . 28 ASN CA . 15173 1 273 . 1 1 28 28 ASN CB C 13 42.123 0.040 . 1 . . . . 28 ASN CB . 15173 1 274 . 1 1 28 28 ASN N N 15 118.744 0.017 . 1 . . . . 28 ASN N . 15173 1 275 . 1 1 28 28 ASN ND2 N 15 118.634 0.063 . 1 . . . . 28 ASN ND2 . 15173 1 276 . 1 1 29 29 CYS H H 1 8.364 0.015 . 1 . . . . 29 CYS H . 15173 1 277 . 1 1 29 29 CYS HA H 1 5.241 0.011 . 1 . . . . 29 CYS HA . 15173 1 278 . 1 1 29 29 CYS HB2 H 1 2.764 0.008 . 2 . . . . 29 CYS HB2 . 15173 1 279 . 1 1 29 29 CYS HB3 H 1 3.339 0.023 . 2 . . . . 29 CYS HB3 . 15173 1 280 . 1 1 29 29 CYS C C 13 176.343 0.000 . 1 . . . . 29 CYS C . 15173 1 281 . 1 1 29 29 CYS CA C 13 59.315 0.115 . 1 . . . . 29 CYS CA . 15173 1 282 . 1 1 29 29 CYS CB C 13 34.298 0.031 . 1 . . . . 29 CYS CB . 15173 1 283 . 1 1 29 29 CYS N N 15 115.759 0.041 . 1 . . . . 29 CYS N . 15173 1 284 . 1 1 30 30 GLY H H 1 8.237 0.015 . 1 . . . . 30 GLY H . 15173 1 285 . 1 1 30 30 GLY HA2 H 1 3.575 0.005 . 2 . . . . 30 GLY HA2 . 15173 1 286 . 1 1 30 30 GLY CA C 13 46.403 0.005 . 1 . . . . 30 GLY CA . 15173 1 287 . 1 1 30 30 GLY N N 15 112.882 0.018 . 1 . . . . 30 GLY N . 15173 1 288 . 1 1 31 31 ARG H H 1 8.285 0.032 . 1 . . . . 31 ARG H . 15173 1 289 . 1 1 31 31 ARG CA C 13 56.593 0.000 . 1 . . . . 31 ARG CA . 15173 1 290 . 1 1 31 31 ARG CB C 13 31.091 0.000 . 1 . . . . 31 ARG CB . 15173 1 291 . 1 1 31 31 ARG N N 15 122.185 0.033 . 1 . . . . 31 ARG N . 15173 1 292 . 1 1 32 32 LYS H H 1 8.229 0.008 . 1 . . . . 32 LYS H . 15173 1 293 . 1 1 32 32 LYS HA H 1 4.003 0.004 . 1 . . . . 32 LYS HA . 15173 1 294 . 1 1 32 32 LYS HG2 H 1 1.340 0.003 . 2 . . . . 32 LYS HG2 . 15173 1 295 . 1 1 32 32 LYS HG3 H 1 1.416 0.003 . 2 . . . . 32 LYS HG3 . 15173 1 296 . 1 1 32 32 LYS C C 13 176.041 0.000 . 1 . . . . 32 LYS C . 15173 1 297 . 1 1 32 32 LYS CA C 13 58.748 0.116 . 1 . . . . 32 LYS CA . 15173 1 298 . 1 1 32 32 LYS CB C 13 32.196 0.000 . 1 . . . . 32 LYS CB . 15173 1 299 . 1 1 32 32 LYS CG C 13 24.776 0.026 . 1 . . . . 32 LYS CG . 15173 1 300 . 1 1 32 32 LYS CD C 13 29.147 0.076 . 1 . . . . 32 LYS CD . 15173 1 301 . 1 1 32 32 LYS CE C 13 42.271 0.023 . 1 . . . . 32 LYS CE . 15173 1 302 . 1 1 32 32 LYS N N 15 120.869 0.155 . 1 . . . . 32 LYS N . 15173 1 303 . 1 1 33 33 ALA H H 1 8.358 0.009 . 1 . . . . 33 ALA H . 15173 1 304 . 1 1 33 33 ALA HA H 1 4.377 0.003 . 1 . . . . 33 ALA HA . 15173 1 305 . 1 1 33 33 ALA HB1 H 1 1.037 0.004 . 1 . . . . 33 ALA HB . 15173 1 306 . 1 1 33 33 ALA HB2 H 1 1.037 0.004 . 1 . . . . 33 ALA HB . 15173 1 307 . 1 1 33 33 ALA HB3 H 1 1.037 0.004 . 1 . . . . 33 ALA HB . 15173 1 308 . 1 1 33 33 ALA C C 13 176.614 0.000 . 1 . . . . 33 ALA C . 15173 1 309 . 1 1 33 33 ALA CA C 13 51.462 0.075 . 1 . . . . 33 ALA CA . 15173 1 310 . 1 1 33 33 ALA CB C 13 21.652 0.042 . 1 . . . . 33 ALA CB . 15173 1 311 . 1 1 33 33 ALA N N 15 126.096 0.021 . 1 . . . . 33 ALA N . 15173 1 312 . 1 1 34 34 SER H H 1 8.292 0.016 . 1 . . . . 34 SER H . 15173 1 313 . 1 1 34 34 SER HA H 1 4.569 0.007 . 1 . . . . 34 SER HA . 15173 1 314 . 1 1 34 34 SER HB2 H 1 3.755 0.010 . 2 . . . . 34 SER HB2 . 15173 1 315 . 1 1 34 34 SER HB3 H 1 4.005 0.006 . 2 . . . . 34 SER HB3 . 15173 1 316 . 1 1 34 34 SER C C 13 173.353 0.000 . 1 . . . . 34 SER C . 15173 1 317 . 1 1 34 34 SER CA C 13 58.205 0.022 . 1 . . . . 34 SER CA . 15173 1 318 . 1 1 34 34 SER CB C 13 64.837 0.030 . 1 . . . . 34 SER CB . 15173 1 319 . 1 1 34 34 SER N N 15 113.347 0.026 . 1 . . . . 34 SER N . 15173 1 320 . 1 1 35 35 GLU H H 1 7.802 0.013 . 1 . . . . 35 GLU H . 15173 1 321 . 1 1 35 35 GLU HA H 1 5.072 0.005 . 1 . . . . 35 GLU HA . 15173 1 322 . 1 1 35 35 GLU HB2 H 1 1.843 0.013 . 2 . . . . 35 GLU HB2 . 15173 1 323 . 1 1 35 35 GLU HB3 H 1 2.034 0.012 . 2 . . . . 35 GLU HB3 . 15173 1 324 . 1 1 35 35 GLU HG2 H 1 2.106 0.005 . 2 . . . . 35 GLU HG2 . 15173 1 325 . 1 1 35 35 GLU HG3 H 1 2.005 0.014 . 2 . . . . 35 GLU HG3 . 15173 1 326 . 1 1 35 35 GLU C C 13 175.870 0.000 . 1 . . . . 35 GLU C . 15173 1 327 . 1 1 35 35 GLU CA C 13 54.845 0.066 . 1 . . . . 35 GLU CA . 15173 1 328 . 1 1 35 35 GLU CB C 13 33.295 0.064 . 1 . . . . 35 GLU CB . 15173 1 329 . 1 1 35 35 GLU CG C 13 35.557 0.089 . 1 . . . . 35 GLU CG . 15173 1 330 . 1 1 35 35 GLU N N 15 120.556 0.033 . 1 . . . . 35 GLU N . 15173 1 331 . 1 1 36 36 THR H H 1 9.108 0.011 . 1 . . . . 36 THR H . 15173 1 332 . 1 1 36 36 THR HA H 1 4.893 0.006 . 1 . . . . 36 THR HA . 15173 1 333 . 1 1 36 36 THR HB H 1 3.610 0.006 . 1 . . . . 36 THR HB . 15173 1 334 . 1 1 36 36 THR HG21 H 1 0.893 0.005 . 1 . . . . 36 THR HG2 . 15173 1 335 . 1 1 36 36 THR HG22 H 1 0.893 0.005 . 1 . . . . 36 THR HG2 . 15173 1 336 . 1 1 36 36 THR HG23 H 1 0.893 0.005 . 1 . . . . 36 THR HG2 . 15173 1 337 . 1 1 36 36 THR C C 13 173.308 0.000 . 1 . . . . 36 THR C . 15173 1 338 . 1 1 36 36 THR CA C 13 60.973 0.076 . 1 . . . . 36 THR CA . 15173 1 339 . 1 1 36 36 THR CB C 13 71.682 0.068 . 1 . . . . 36 THR CB . 15173 1 340 . 1 1 36 36 THR CG2 C 13 20.997 0.088 . 1 . . . . 36 THR CG2 . 15173 1 341 . 1 1 36 36 THR N N 15 117.872 0.019 . 1 . . . . 36 THR N . 15173 1 342 . 1 1 37 37 CYS H H 1 8.374 0.011 . 1 . . . . 37 CYS H . 15173 1 343 . 1 1 37 37 CYS HA H 1 3.896 0.005 . 1 . . . . 37 CYS HA . 15173 1 344 . 1 1 37 37 CYS HB2 H 1 2.685 0.008 . 2 . . . . 37 CYS HB2 . 15173 1 345 . 1 1 37 37 CYS HB3 H 1 3.255 0.009 . 2 . . . . 37 CYS HB3 . 15173 1 346 . 1 1 37 37 CYS C C 13 176.530 0.000 . 1 . . . . 37 CYS C . 15173 1 347 . 1 1 37 37 CYS CA C 13 61.298 0.031 . 1 . . . . 37 CYS CA . 15173 1 348 . 1 1 37 37 CYS CB C 13 31.891 0.070 . 1 . . . . 37 CYS CB . 15173 1 349 . 1 1 37 37 CYS N N 15 127.410 0.023 . 1 . . . . 37 CYS N . 15173 1 350 . 1 1 38 38 SER H H 1 8.013 0.014 . 1 . . . . 38 SER H . 15173 1 351 . 1 1 38 38 SER HA H 1 4.216 0.005 . 1 . . . . 38 SER HA . 15173 1 352 . 1 1 38 38 SER HB2 H 1 3.791 0.015 . 2 . . . . 38 SER HB2 . 15173 1 353 . 1 1 38 38 SER HB3 H 1 4.032 0.006 . 2 . . . . 38 SER HB3 . 15173 1 354 . 1 1 38 38 SER HG H 1 6.378 0.008 . 1 . . . . 38 SER HG . 15173 1 355 . 1 1 38 38 SER C C 13 174.883 0.000 . 1 . . . . 38 SER C . 15173 1 356 . 1 1 38 38 SER CA C 13 60.657 0.067 . 1 . . . . 38 SER CA . 15173 1 357 . 1 1 38 38 SER CB C 13 63.437 0.056 . 1 . . . . 38 SER CB . 15173 1 358 . 1 1 38 38 SER N N 15 124.651 0.028 . 1 . . . . 38 SER N . 15173 1 359 . 1 1 39 39 GLY H H 1 9.026 0.013 . 1 . . . . 39 GLY H . 15173 1 360 . 1 1 39 39 GLY HA2 H 1 3.747 0.010 . 2 . . . . 39 GLY HA2 . 15173 1 361 . 1 1 39 39 GLY HA3 H 1 3.969 0.009 . 2 . . . . 39 GLY HA3 . 15173 1 362 . 1 1 39 39 GLY C C 13 174.352 0.000 . 1 . . . . 39 GLY C . 15173 1 363 . 1 1 39 39 GLY CA C 13 46.824 0.030 . 1 . . . . 39 GLY CA . 15173 1 364 . 1 1 39 39 GLY N N 15 114.247 0.020 . 1 . . . . 39 GLY N . 15173 1 365 . 1 1 40 40 CYS H H 1 7.056 0.013 . 1 . . . . 40 CYS H . 15173 1 366 . 1 1 40 40 CYS HA H 1 4.987 0.006 . 1 . . . . 40 CYS HA . 15173 1 367 . 1 1 40 40 CYS HB2 H 1 3.324 0.016 . 2 . . . . 40 CYS HB2 . 15173 1 368 . 1 1 40 40 CYS HB3 H 1 3.631 0.005 . 2 . . . . 40 CYS HB3 . 15173 1 369 . 1 1 40 40 CYS C C 13 176.875 0.000 . 1 . . . . 40 CYS C . 15173 1 370 . 1 1 40 40 CYS CA C 13 56.365 0.091 . 1 . . . . 40 CYS CA . 15173 1 371 . 1 1 40 40 CYS CB C 13 33.620 0.029 . 1 . . . . 40 CYS CB . 15173 1 372 . 1 1 40 40 CYS N N 15 112.795 0.032 . 1 . . . . 40 CYS N . 15173 1 373 . 1 1 41 41 ASN H H 1 8.749 0.011 . 1 . . . . 41 ASN H . 15173 1 374 . 1 1 41 41 ASN HA H 1 4.316 0.004 . 1 . . . . 41 ASN HA . 15173 1 375 . 1 1 41 41 ASN HB2 H 1 2.736 0.007 . 2 . . . . 41 ASN HB2 . 15173 1 376 . 1 1 41 41 ASN HB3 H 1 3.009 0.005 . 2 . . . . 41 ASN HB3 . 15173 1 377 . 1 1 41 41 ASN HD21 H 1 6.524 0.004 . 2 . . . . 41 ASN HD21 . 15173 1 378 . 1 1 41 41 ASN HD22 H 1 7.375 0.006 . 2 . . . . 41 ASN HD22 . 15173 1 379 . 1 1 41 41 ASN C C 13 173.563 0.000 . 1 . . . . 41 ASN C . 15173 1 380 . 1 1 41 41 ASN CA C 13 55.381 0.059 . 1 . . . . 41 ASN CA . 15173 1 381 . 1 1 41 41 ASN CB C 13 38.179 0.059 . 1 . . . . 41 ASN CB . 15173 1 382 . 1 1 41 41 ASN N N 15 123.888 0.030 . 1 . . . . 41 ASN N . 15173 1 383 . 1 1 41 41 ASN ND2 N 15 111.517 0.013 . 1 . . . . 41 ASN ND2 . 15173 1 384 . 1 1 42 42 THR H H 1 7.934 0.013 . 1 . . . . 42 THR H . 15173 1 385 . 1 1 42 42 THR HA H 1 4.301 0.005 . 1 . . . . 42 THR HA . 15173 1 386 . 1 1 42 42 THR HB H 1 4.195 0.005 . 1 . . . . 42 THR HB . 15173 1 387 . 1 1 42 42 THR HG21 H 1 1.385 0.004 . 1 . . . . 42 THR HG2 . 15173 1 388 . 1 1 42 42 THR HG22 H 1 1.385 0.004 . 1 . . . . 42 THR HG2 . 15173 1 389 . 1 1 42 42 THR HG23 H 1 1.385 0.004 . 1 . . . . 42 THR HG2 . 15173 1 390 . 1 1 42 42 THR C C 13 172.356 0.000 . 1 . . . . 42 THR C . 15173 1 391 . 1 1 42 42 THR CA C 13 65.121 0.070 . 1 . . . . 42 THR CA . 15173 1 392 . 1 1 42 42 THR CB C 13 72.109 0.001 . 1 . . . . 42 THR CB . 15173 1 393 . 1 1 42 42 THR CG2 C 13 20.834 0.046 . 1 . . . . 42 THR CG2 . 15173 1 394 . 1 1 42 42 THR N N 15 113.600 0.026 . 1 . . . . 42 THR N . 15173 1 395 . 1 1 43 43 ALA H H 1 6.989 0.013 . 1 . . . . 43 ALA H . 15173 1 396 . 1 1 43 43 ALA HA H 1 1.242 0.005 . 1 . . . . 43 ALA HA . 15173 1 397 . 1 1 43 43 ALA HB1 H 1 0.003 0.005 . 1 . . . . 43 ALA HB . 15173 1 398 . 1 1 43 43 ALA HB2 H 1 0.003 0.005 . 1 . . . . 43 ALA HB . 15173 1 399 . 1 1 43 43 ALA HB3 H 1 0.003 0.005 . 1 . . . . 43 ALA HB . 15173 1 400 . 1 1 43 43 ALA C C 13 174.296 0.000 . 1 . . . . 43 ALA C . 15173 1 401 . 1 1 43 43 ALA CA C 13 52.605 0.047 . 1 . . . . 43 ALA CA . 15173 1 402 . 1 1 43 43 ALA CB C 13 19.640 0.044 . 1 . . . . 43 ALA CB . 15173 1 403 . 1 1 43 43 ALA N N 15 126.156 0.018 . 1 . . . . 43 ALA N . 15173 1 404 . 1 1 44 44 ARG H H 1 4.148 0.003 . 1 . . . . 44 ARG H . 15173 1 405 . 1 1 44 44 ARG HA H 1 4.730 0.009 . 1 . . . . 44 ARG HA . 15173 1 406 . 1 1 44 44 ARG HB2 H 1 1.293 0.006 . 2 . . . . 44 ARG HB2 . 15173 1 407 . 1 1 44 44 ARG HB3 H 1 1.468 0.004 . 2 . . . . 44 ARG HB3 . 15173 1 408 . 1 1 44 44 ARG HG2 H 1 1.478 0.006 . 2 . . . . 44 ARG HG2 . 15173 1 409 . 1 1 44 44 ARG HD2 H 1 2.800 0.004 . 2 . . . . 44 ARG HD2 . 15173 1 410 . 1 1 44 44 ARG HD3 H 1 2.851 0.002 . 2 . . . . 44 ARG HD3 . 15173 1 411 . 1 1 44 44 ARG HE H 1 6.731 0.003 . 1 . . . . 44 ARG HE . 15173 1 412 . 1 1 44 44 ARG C C 13 173.888 0.000 . 1 . . . . 44 ARG C . 15173 1 413 . 1 1 44 44 ARG CA C 13 52.023 0.055 . 1 . . . . 44 ARG CA . 15173 1 414 . 1 1 44 44 ARG CB C 13 32.059 0.094 . 1 . . . . 44 ARG CB . 15173 1 415 . 1 1 44 44 ARG CG C 13 26.383 0.058 . 1 . . . . 44 ARG CG . 15173 1 416 . 1 1 44 44 ARG CD C 13 43.009 0.012 . 1 . . . . 44 ARG CD . 15173 1 417 . 1 1 44 44 ARG N N 15 117.486 0.017 . 1 . . . . 44 ARG N . 15173 1 418 . 1 1 44 44 ARG NE N 15 85.296 0.022 . 1 . . . . 44 ARG NE . 15173 1 419 . 1 1 45 45 TYR H H 1 8.440 0.014 . 1 . . . . 45 TYR H . 15173 1 420 . 1 1 45 45 TYR HA H 1 6.271 0.006 . 1 . . . . 45 TYR HA . 15173 1 421 . 1 1 45 45 TYR HB2 H 1 2.119 0.007 . 2 . . . . 45 TYR HB2 . 15173 1 422 . 1 1 45 45 TYR HB3 H 1 3.367 0.010 . 2 . . . . 45 TYR HB3 . 15173 1 423 . 1 1 45 45 TYR HD1 H 1 6.350 0.004 . 3 . . . . 45 TYR HD1 . 15173 1 424 . 1 1 45 45 TYR HD2 H 1 7.519 0.003 . 3 . . . . 45 TYR HD2 . 15173 1 425 . 1 1 45 45 TYR HE1 H 1 6.134 0.006 . 3 . . . . 45 TYR HE1 . 15173 1 426 . 1 1 45 45 TYR HE2 H 1 6.711 0.004 . 3 . . . . 45 TYR HE2 . 15173 1 427 . 1 1 45 45 TYR HH H 1 12.455 0.005 . 1 . . . . 45 TYR HH . 15173 1 428 . 1 1 45 45 TYR C C 13 175.339 0.000 . 1 . . . . 45 TYR C . 15173 1 429 . 1 1 45 45 TYR CA C 13 56.217 0.064 . 1 . . . . 45 TYR CA . 15173 1 430 . 1 1 45 45 TYR CB C 13 44.835 0.058 . 1 . . . . 45 TYR CB . 15173 1 431 . 1 1 45 45 TYR CD1 C 13 130.161 0.019 . 3 . . . . 45 TYR CD1 . 15173 1 432 . 1 1 45 45 TYR CD2 C 13 131.116 0.011 . 3 . . . . 45 TYR CD2 . 15173 1 433 . 1 1 45 45 TYR CE1 C 13 116.009 0.089 . 3 . . . . 45 TYR CE1 . 15173 1 434 . 1 1 45 45 TYR CE2 C 13 115.796 0.044 . 3 . . . . 45 TYR CE2 . 15173 1 435 . 1 1 45 45 TYR N N 15 115.665 0.034 . 1 . . . . 45 TYR N . 15173 1 436 . 1 1 46 46 CYS H H 1 9.333 0.014 . 1 . . . . 46 CYS H . 15173 1 437 . 1 1 46 46 CYS HA H 1 4.806 0.005 . 1 . . . . 46 CYS HA . 15173 1 438 . 1 1 46 46 CYS HB2 H 1 2.793 0.012 . 2 . . . . 46 CYS HB2 . 15173 1 439 . 1 1 46 46 CYS HB3 H 1 3.287 0.016 . 2 . . . . 46 CYS HB3 . 15173 1 440 . 1 1 46 46 CYS C C 13 175.176 0.000 . 1 . . . . 46 CYS C . 15173 1 441 . 1 1 46 46 CYS CA C 13 59.906 0.054 . 1 . . . . 46 CYS CA . 15173 1 442 . 1 1 46 46 CYS CB C 13 30.200 0.047 . 1 . . . . 46 CYS CB . 15173 1 443 . 1 1 46 46 CYS N N 15 119.321 0.033 . 1 . . . . 46 CYS N . 15173 1 444 . 1 1 47 47 GLY H H 1 7.236 0.012 . 1 . . . . 47 GLY H . 15173 1 445 . 1 1 47 47 GLY HA2 H 1 3.864 0.006 . 2 . . . . 47 GLY HA2 . 15173 1 446 . 1 1 47 47 GLY HA3 H 1 4.389 0.007 . 2 . . . . 47 GLY HA3 . 15173 1 447 . 1 1 47 47 GLY C C 13 172.661 0.000 . 1 . . . . 47 GLY C . 15173 1 448 . 1 1 47 47 GLY CA C 13 44.896 0.057 . 1 . . . . 47 GLY CA . 15173 1 449 . 1 1 47 47 GLY N N 15 107.296 0.017 . 1 . . . . 47 GLY N . 15173 1 450 . 1 1 48 48 SER H H 1 8.712 0.013 . 1 . . . . 48 SER H . 15173 1 451 . 1 1 48 48 SER HA H 1 4.163 0.005 . 1 . . . . 48 SER HA . 15173 1 452 . 1 1 48 48 SER HB2 H 1 3.846 0.008 . 2 . . . . 48 SER HB2 . 15173 1 453 . 1 1 48 48 SER C C 13 176.545 0.000 . 1 . . . . 48 SER C . 15173 1 454 . 1 1 48 48 SER CA C 13 61.208 0.053 . 1 . . . . 48 SER CA . 15173 1 455 . 1 1 48 48 SER CB C 13 63.180 0.072 . 1 . . . . 48 SER CB . 15173 1 456 . 1 1 48 48 SER N N 15 114.539 0.033 . 1 . . . . 48 SER N . 15173 1 457 . 1 1 49 49 PHE H H 1 8.740 0.001 . 1 . . . . 49 PHE H . 15173 1 458 . 1 1 49 49 PHE HA H 1 4.064 0.009 . 1 . . . . 49 PHE HA . 15173 1 459 . 1 1 49 49 PHE HB2 H 1 3.125 0.001 . 2 . . . . 49 PHE HB2 . 15173 1 460 . 1 1 49 49 PHE HB3 H 1 3.185 0.002 . 2 . . . . 49 PHE HB3 . 15173 1 461 . 1 1 49 49 PHE HD1 H 1 7.157 0.002 . 3 . . . . 49 PHE HD1 . 15173 1 462 . 1 1 49 49 PHE HE1 H 1 7.165 0.000 . 3 . . . . 49 PHE HE1 . 15173 1 463 . 1 1 49 49 PHE C C 13 178.802 0.000 . 1 . . . . 49 PHE C . 15173 1 464 . 1 1 49 49 PHE CA C 13 62.617 0.051 . 1 . . . . 49 PHE CA . 15173 1 465 . 1 1 49 49 PHE CB C 13 38.406 0.046 . 1 . . . . 49 PHE CB . 15173 1 466 . 1 1 49 49 PHE N N 15 125.846 0.012 . 1 . . . . 49 PHE N . 15173 1 467 . 1 1 50 50 CYS H H 1 8.860 0.008 . 1 . . . . 50 CYS H . 15173 1 468 . 1 1 50 50 CYS HA H 1 4.020 0.006 . 1 . . . . 50 CYS HA . 15173 1 469 . 1 1 50 50 CYS HB2 H 1 2.972 0.006 . 2 . . . . 50 CYS HB2 . 15173 1 470 . 1 1 50 50 CYS HB3 H 1 3.100 0.010 . 2 . . . . 50 CYS HB3 . 15173 1 471 . 1 1 50 50 CYS C C 13 176.845 0.000 . 1 . . . . 50 CYS C . 15173 1 472 . 1 1 50 50 CYS CA C 13 65.770 0.100 . 1 . . . . 50 CYS CA . 15173 1 473 . 1 1 50 50 CYS CB C 13 31.913 0.042 . 1 . . . . 50 CYS CB . 15173 1 474 . 1 1 50 50 CYS N N 15 120.918 0.017 . 1 . . . . 50 CYS N . 15173 1 475 . 1 1 51 51 GLN H H 1 7.431 0.013 . 1 . . . . 51 GLN H . 15173 1 476 . 1 1 51 51 GLN HA H 1 1.885 0.007 . 1 . . . . 51 GLN HA . 15173 1 477 . 1 1 51 51 GLN HB2 H 1 1.083 0.008 . 2 . . . . 51 GLN HB2 . 15173 1 478 . 1 1 51 51 GLN HB3 H 1 1.277 0.005 . 2 . . . . 51 GLN HB3 . 15173 1 479 . 1 1 51 51 GLN HG2 H 1 2.076 0.008 . 2 . . . . 51 GLN HG2 . 15173 1 480 . 1 1 51 51 GLN HG3 H 1 2.198 0.009 . 2 . . . . 51 GLN HG3 . 15173 1 481 . 1 1 51 51 GLN HE21 H 1 7.238 0.003 . 2 . . . . 51 GLN HE21 . 15173 1 482 . 1 1 51 51 GLN HE22 H 1 8.172 0.005 . 2 . . . . 51 GLN HE22 . 15173 1 483 . 1 1 51 51 GLN C C 13 179.156 0.000 . 1 . . . . 51 GLN C . 15173 1 484 . 1 1 51 51 GLN CA C 13 58.599 0.072 . 1 . . . . 51 GLN CA . 15173 1 485 . 1 1 51 51 GLN CB C 13 27.651 0.000 . 1 . . . . 51 GLN CB . 15173 1 486 . 1 1 51 51 GLN CG C 13 32.305 0.042 . 1 . . . . 51 GLN CG . 15173 1 487 . 1 1 51 51 GLN N N 15 117.797 0.025 . 1 . . . . 51 GLN N . 15173 1 488 . 1 1 51 51 GLN NE2 N 15 112.436 0.061 . 1 . . . . 51 GLN NE2 . 15173 1 489 . 1 1 52 52 HIS H H 1 8.385 0.013 . 1 . . . . 52 HIS H . 15173 1 490 . 1 1 52 52 HIS HA H 1 3.842 0.010 . 1 . . . . 52 HIS HA . 15173 1 491 . 1 1 52 52 HIS HB2 H 1 3.046 0.005 . 2 . . . . 52 HIS HB2 . 15173 1 492 . 1 1 52 52 HIS HD2 H 1 6.919 0.007 . 1 . . . . 52 HIS HD2 . 15173 1 493 . 1 1 52 52 HIS HE1 H 1 7.709 0.002 . 1 . . . . 52 HIS HE1 . 15173 1 494 . 1 1 52 52 HIS C C 13 178.172 0.000 . 1 . . . . 52 HIS C . 15173 1 495 . 1 1 52 52 HIS CA C 13 60.737 0.048 . 1 . . . . 52 HIS CA . 15173 1 496 . 1 1 52 52 HIS CB C 13 29.221 0.049 . 1 . . . . 52 HIS CB . 15173 1 497 . 1 1 52 52 HIS CD2 C 13 118.3 0.069 . 1 . . . . 52 HIS CD2 . 15173 1 498 . 1 1 52 52 HIS CE1 C 13 135.32 0.037 . 1 . . . . 52 HIS CE1 . 15173 1 499 . 1 1 52 52 HIS N N 15 118.255 0.033 . 1 . . . . 52 HIS N . 15173 1 500 . 1 1 53 53 LYS H H 1 8.165 0.012 . 1 . . . . 53 LYS H . 15173 1 501 . 1 1 53 53 LYS HA H 1 4.023 0.005 . 1 . . . . 53 LYS HA . 15173 1 502 . 1 1 53 53 LYS HB2 H 1 1.801 0.010 . 2 . . . . 53 LYS HB2 . 15173 1 503 . 1 1 53 53 LYS HB3 H 1 1.899 0.013 . 2 . . . . 53 LYS HB3 . 15173 1 504 . 1 1 53 53 LYS HG2 H 1 1.485 0.001 . 2 . . . . 53 LYS HG2 . 15173 1 505 . 1 1 53 53 LYS HG3 H 1 1.543 0.004 . 2 . . . . 53 LYS HG3 . 15173 1 506 . 1 1 53 53 LYS HD2 H 1 1.637 0.009 . 2 . . . . 53 LYS HD2 . 15173 1 507 . 1 1 53 53 LYS HD3 H 1 1.774 0.010 . 2 . . . . 53 LYS HD3 . 15173 1 508 . 1 1 53 53 LYS HE2 H 1 3.071 0.004 . 2 . . . . 53 LYS HE2 . 15173 1 509 . 1 1 53 53 LYS HE3 H 1 3.170 0.008 . 2 . . . . 53 LYS HE3 . 15173 1 510 . 1 1 53 53 LYS C C 13 178.478 0.000 . 1 . . . . 53 LYS C . 15173 1 511 . 1 1 53 53 LYS CA C 13 57.998 0.058 . 1 . . . . 53 LYS CA . 15173 1 512 . 1 1 53 53 LYS CB C 13 31.560 0.048 . 1 . . . . 53 LYS CB . 15173 1 513 . 1 1 53 53 LYS CG C 13 23.995 0.038 . 1 . . . . 53 LYS CG . 15173 1 514 . 1 1 53 53 LYS CD C 13 28.065 0.071 . 1 . . . . 53 LYS CD . 15173 1 515 . 1 1 53 53 LYS N N 15 121.681 0.017 . 1 . . . . 53 LYS N . 15173 1 516 . 1 1 54 54 ASP H H 1 7.665 0.013 . 1 . . . . 54 ASP H . 15173 1 517 . 1 1 54 54 ASP HA H 1 5.082 0.006 . 1 . . . . 54 ASP HA . 15173 1 518 . 1 1 54 54 ASP HB2 H 1 2.613 0.007 . 2 . . . . 54 ASP HB2 . 15173 1 519 . 1 1 54 54 ASP HB3 H 1 2.845 0.006 . 2 . . . . 54 ASP HB3 . 15173 1 520 . 1 1 54 54 ASP C C 13 176.952 0.000 . 1 . . . . 54 ASP C . 15173 1 521 . 1 1 54 54 ASP CA C 13 54.755 0.058 . 1 . . . . 54 ASP CA . 15173 1 522 . 1 1 54 54 ASP CB C 13 43.790 0.071 . 1 . . . . 54 ASP CB . 15173 1 523 . 1 1 54 54 ASP N N 15 115.225 0.025 . 1 . . . . 54 ASP N . 15173 1 524 . 1 1 55 55 TRP H H 1 7.676 0.014 . 1 . . . . 55 TRP H . 15173 1 525 . 1 1 55 55 TRP HA H 1 5.047 0.007 . 1 . . . . 55 TRP HA . 15173 1 526 . 1 1 55 55 TRP HB2 H 1 3.279 0.000 . 2 . . . . 55 TRP HB2 . 15173 1 527 . 1 1 55 55 TRP HB3 H 1 3.357 0.000 . 2 . . . . 55 TRP HB3 . 15173 1 528 . 1 1 55 55 TRP HD1 H 1 7.100 0.004 . 1 . . . . 55 TRP HD1 . 15173 1 529 . 1 1 55 55 TRP HE1 H 1 9.493 0.012 . 1 . . . . 55 TRP HE1 . 15173 1 530 . 1 1 55 55 TRP HE3 H 1 8.167 0.005 . 1 . . . . 55 TRP HE3 . 15173 1 531 . 1 1 55 55 TRP HZ2 H 1 7.150 0.005 . 1 . . . . 55 TRP HZ2 . 15173 1 532 . 1 1 55 55 TRP HZ3 H 1 7.222 0.012 . 1 . . . . 55 TRP HZ3 . 15173 1 533 . 1 1 55 55 TRP HH2 H 1 7.219 0.012 . 1 . . . . 55 TRP HH2 . 15173 1 534 . 1 1 55 55 TRP CA C 13 59.658 0.047 . 1 . . . . 55 TRP CA . 15173 1 535 . 1 1 55 55 TRP CB C 13 30.631 0.060 . 1 . . . . 55 TRP CB . 15173 1 536 . 1 1 55 55 TRP CD1 C 13 125.221 0.042 . 1 . . . . 55 TRP CD1 . 15173 1 537 . 1 1 55 55 TRP CE3 C 13 119.669 0.000 . 1 . . . . 55 TRP CE3 . 15173 1 538 . 1 1 55 55 TRP CZ2 C 13 112.937 0.044 . 1 . . . . 55 TRP CZ2 . 15173 1 539 . 1 1 55 55 TRP CZ3 C 13 119.718 0.006 . 1 . . . . 55 TRP CZ3 . 15173 1 540 . 1 1 55 55 TRP CH2 C 13 122.359 0.042 . 1 . . . . 55 TRP CH2 . 15173 1 541 . 1 1 55 55 TRP N N 15 122.016 0.028 . 1 . . . . 55 TRP N . 15173 1 542 . 1 1 55 55 TRP NE1 N 15 127.942 0.018 . 1 . . . . 55 TRP NE1 . 15173 1 543 . 1 1 56 56 GLU H H 1 8.281 0.005 . 1 . . . . 56 GLU H . 15173 1 544 . 1 1 56 56 GLU HA H 1 3.819 0.006 . 1 . . . . 56 GLU HA . 15173 1 545 . 1 1 56 56 GLU HB2 H 1 2.122 0.005 . 2 . . . . 56 GLU HB2 . 15173 1 546 . 1 1 56 56 GLU HB3 H 1 2.190 0.002 . 2 . . . . 56 GLU HB3 . 15173 1 547 . 1 1 56 56 GLU HG2 H 1 2.327 0.007 . 2 . . . . 56 GLU HG2 . 15173 1 548 . 1 1 56 56 GLU C C 13 177.430 0.000 . 1 . . . . 56 GLU C . 15173 1 549 . 1 1 56 56 GLU CA C 13 60.137 0.054 . 1 . . . . 56 GLU CA . 15173 1 550 . 1 1 56 56 GLU CB C 13 29.087 0.112 . 1 . . . . 56 GLU CB . 15173 1 551 . 1 1 56 56 GLU CG C 13 36.233 0.048 . 1 . . . . 56 GLU CG . 15173 1 552 . 1 1 56 56 GLU N N 15 118.949 0.044 . 1 . . . . 56 GLU N . 15173 1 553 . 1 1 57 57 LYS H H 1 7.653 0.009 . 1 . . . . 57 LYS H . 15173 1 554 . 1 1 57 57 LYS HA H 1 4.380 0.004 . 1 . . . . 57 LYS HA . 15173 1 555 . 1 1 57 57 LYS HB2 H 1 1.893 0.013 . 2 . . . . 57 LYS HB2 . 15173 1 556 . 1 1 57 57 LYS HB3 H 1 2.048 0.005 . 2 . . . . 57 LYS HB3 . 15173 1 557 . 1 1 57 57 LYS HG2 H 1 1.522 0.002 . 2 . . . . 57 LYS HG2 . 15173 1 558 . 1 1 57 57 LYS HG3 H 1 1.594 0.006 . 2 . . . . 57 LYS HG3 . 15173 1 559 . 1 1 57 57 LYS HD2 H 1 1.886 0.004 . 2 . . . . 57 LYS HD2 . 15173 1 560 . 1 1 57 57 LYS HE2 H 1 3.132 0.005 . 2 . . . . 57 LYS HE2 . 15173 1 561 . 1 1 57 57 LYS C C 13 179.121 0.000 . 1 . . . . 57 LYS C . 15173 1 562 . 1 1 57 57 LYS CA C 13 58.281 0.045 . 1 . . . . 57 LYS CA . 15173 1 563 . 1 1 57 57 LYS CB C 13 33.485 0.048 . 1 . . . . 57 LYS CB . 15173 1 564 . 1 1 57 57 LYS CG C 13 25.102 0.043 . 1 . . . . 57 LYS CG . 15173 1 565 . 1 1 57 57 LYS CD C 13 29.350 0.043 . 1 . . . . 57 LYS CD . 15173 1 566 . 1 1 57 57 LYS CE C 13 42.221 0.091 . 1 . . . . 57 LYS CE . 15173 1 567 . 1 1 57 57 LYS N N 15 116.679 0.027 . 1 . . . . 57 LYS N . 15173 1 568 . 1 1 58 58 HIS H H 1 9.431 0.008 . 1 . . . . 58 HIS H . 15173 1 569 . 1 1 58 58 HIS HA H 1 4.557 0.008 . 1 . . . . 58 HIS HA . 15173 1 570 . 1 1 58 58 HIS HB2 H 1 3.345 0.005 . 2 . . . . 58 HIS HB2 . 15173 1 571 . 1 1 58 58 HIS HB3 H 1 3.539 0.006 . 2 . . . . 58 HIS HB3 . 15173 1 572 . 1 1 58 58 HIS HD1 H 1 13.051 0.001 . 1 . . . . 58 HIS HD1 . 15173 1 573 . 1 1 58 58 HIS HE1 H 1 8.024 0.003 . 1 . . . . 58 HIS HE1 . 15173 1 574 . 1 1 58 58 HIS C C 13 177.549 0.000 . 1 . . . . 58 HIS C . 15173 1 575 . 1 1 58 58 HIS CA C 13 58.870 0.110 . 1 . . . . 58 HIS CA . 15173 1 576 . 1 1 58 58 HIS CB C 13 30.147 0.071 . 1 . . . . 58 HIS CB . 15173 1 577 . 1 1 58 58 HIS CE1 C 13 137.173 0.040 . 1 . . . . 58 HIS CE1 . 15173 1 578 . 1 1 58 58 HIS N N 15 119.810 0.016 . 1 . . . . 58 HIS N . 15173 1 579 . 1 1 59 59 HIS H H 1 8.537 0.009 . 1 . . . . 59 HIS H . 15173 1 580 . 1 1 59 59 HIS HA H 1 3.151 0.006 . 1 . . . . 59 HIS HA . 15173 1 581 . 1 1 59 59 HIS HB2 H 1 0.774 0.007 . 2 . . . . 59 HIS HB2 . 15173 1 582 . 1 1 59 59 HIS HB3 H 1 1.895 0.007 . 2 . . . . 59 HIS HB3 . 15173 1 583 . 1 1 59 59 HIS HD2 H 1 6.637 0.004 . 1 . . . . 59 HIS HD2 . 15173 1 584 . 1 1 59 59 HIS HE1 H 1 7.782 0.006 . 1 . . . . 59 HIS HE1 . 15173 1 585 . 1 1 59 59 HIS C C 13 175.278 0.000 . 1 . . . . 59 HIS C . 15173 1 586 . 1 1 59 59 HIS CA C 13 58.690 0.075 . 1 . . . . 59 HIS CA . 15173 1 587 . 1 1 59 59 HIS CB C 13 25.853 0.073 . 1 . . . . 59 HIS CB . 15173 1 588 . 1 1 59 59 HIS CD2 C 13 119.6 0.042 . 1 . . . . 59 HIS CD2 . 15173 1 589 . 1 1 59 59 HIS CE1 C 13 135.049 0.020 . 1 . . . . 59 HIS CE1 . 15173 1 590 . 1 1 59 59 HIS N N 15 114.957 0.026 . 1 . . . . 59 HIS N . 15173 1 591 . 1 1 60 60 HIS H H 1 6.421 0.014 . 1 . . . . 60 HIS H . 15173 1 592 . 1 1 60 60 HIS HA H 1 3.884 0.005 . 1 . . . . 60 HIS HA . 15173 1 593 . 1 1 60 60 HIS HB2 H 1 2.753 0.004 . 2 . . . . 60 HIS HB2 . 15173 1 594 . 1 1 60 60 HIS HB3 H 1 2.964 0.004 . 2 . . . . 60 HIS HB3 . 15173 1 595 . 1 1 60 60 HIS HD2 H 1 7.040 0.005 . 1 . . . . 60 HIS HD2 . 15173 1 596 . 1 1 60 60 HIS HE1 H 1 7.891 0.001 . 1 . . . . 60 HIS HE1 . 15173 1 597 . 1 1 60 60 HIS C C 13 175.943 0.000 . 1 . . . . 60 HIS C . 15173 1 598 . 1 1 60 60 HIS CA C 13 58.342 0.063 . 1 . . . . 60 HIS CA . 15173 1 599 . 1 1 60 60 HIS CB C 13 30.699 0.061 . 1 . . . . 60 HIS CB . 15173 1 600 . 1 1 60 60 HIS CD2 C 13 117.791 0.042 . 1 . . . . 60 HIS CD2 . 15173 1 601 . 1 1 60 60 HIS CE1 C 13 136.269 0.012 . 1 . . . . 60 HIS CE1 . 15173 1 602 . 1 1 60 60 HIS N N 15 114.530 0.025 . 1 . . . . 60 HIS N . 15173 1 603 . 1 1 61 61 ILE H H 1 7.174 0.013 . 1 . . . . 61 ILE H . 15173 1 604 . 1 1 61 61 ILE HA H 1 4.431 0.003 . 1 . . . . 61 ILE HA . 15173 1 605 . 1 1 61 61 ILE HB H 1 2.046 0.006 . 1 . . . . 61 ILE HB . 15173 1 606 . 1 1 61 61 ILE HG12 H 1 1.198 0.007 . 1 . . . . 61 ILE HG12 . 15173 1 607 . 1 1 61 61 ILE HG13 H 1 1.291 0.002 . 1 . . . . 61 ILE HG13 . 15173 1 608 . 1 1 61 61 ILE HG21 H 1 0.886 0.012 . 1 . . . . 61 ILE HG2 . 15173 1 609 . 1 1 61 61 ILE HG22 H 1 0.886 0.012 . 1 . . . . 61 ILE HG2 . 15173 1 610 . 1 1 61 61 ILE HG23 H 1 0.886 0.012 . 1 . . . . 61 ILE HG2 . 15173 1 611 . 1 1 61 61 ILE HD11 H 1 1.074 0.007 . 1 . . . . 61 ILE HD1 . 15173 1 612 . 1 1 61 61 ILE HD12 H 1 1.074 0.007 . 1 . . . . 61 ILE HD1 . 15173 1 613 . 1 1 61 61 ILE HD13 H 1 1.074 0.007 . 1 . . . . 61 ILE HD1 . 15173 1 614 . 1 1 61 61 ILE C C 13 175.230 0.000 . 1 . . . . 61 ILE C . 15173 1 615 . 1 1 61 61 ILE CA C 13 60.293 0.041 . 1 . . . . 61 ILE CA . 15173 1 616 . 1 1 61 61 ILE CB C 13 39.999 0.053 . 1 . . . . 61 ILE CB . 15173 1 617 . 1 1 61 61 ILE CG1 C 13 26.970 0.033 . 1 . . . . 61 ILE CG1 . 15173 1 618 . 1 1 61 61 ILE CG2 C 13 18.047 0.055 . 1 . . . . 61 ILE CG2 . 15173 1 619 . 1 1 61 61 ILE CD1 C 13 14.337 0.087 . 1 . . . . 61 ILE CD1 . 15173 1 620 . 1 1 61 61 ILE N N 15 110.683 0.026 . 1 . . . . 61 ILE N . 15173 1 621 . 1 1 62 62 CYS H H 1 7.086 0.013 . 1 . . . . 62 CYS H . 15173 1 622 . 1 1 62 62 CYS HA H 1 3.715 0.005 . 1 . . . . 62 CYS HA . 15173 1 623 . 1 1 62 62 CYS HB2 H 1 1.806 0.004 . 2 . . . . 62 CYS HB2 . 15173 1 624 . 1 1 62 62 CYS HB3 H 1 2.508 0.004 . 2 . . . . 62 CYS HB3 . 15173 1 625 . 1 1 62 62 CYS C C 13 175.959 0.000 . 1 . . . . 62 CYS C . 15173 1 626 . 1 1 62 62 CYS CA C 13 62.158 0.050 . 1 . . . . 62 CYS CA . 15173 1 627 . 1 1 62 62 CYS CB C 13 29.477 0.027 . 1 . . . . 62 CYS CB . 15173 1 628 . 1 1 62 62 CYS N N 15 125.719 0.011 . 1 . . . . 62 CYS N . 15173 1 629 . 1 1 63 63 GLY H H 1 8.178 0.011 . 1 . . . . 63 GLY H . 15173 1 630 . 1 1 63 63 GLY HA2 H 1 3.926 0.004 . 2 . . . . 63 GLY HA2 . 15173 1 631 . 1 1 63 63 GLY HA3 H 1 4.155 0.003 . 2 . . . . 63 GLY HA3 . 15173 1 632 . 1 1 63 63 GLY C C 13 174.679 0.000 . 1 . . . . 63 GLY C . 15173 1 633 . 1 1 63 63 GLY CA C 13 45.809 0.025 . 1 . . . . 63 GLY CA . 15173 1 634 . 1 1 63 63 GLY N N 15 113.735 0.024 . 1 . . . . 63 GLY N . 15173 1 635 . 1 1 64 64 GLN H H 1 8.117 0.014 . 1 . . . . 64 GLN H . 15173 1 636 . 1 1 64 64 GLN HA H 1 4.391 0.004 . 1 . . . . 64 GLN HA . 15173 1 637 . 1 1 64 64 GLN HB2 H 1 1.957 0.000 . 2 . . . . 64 GLN HB2 . 15173 1 638 . 1 1 64 64 GLN HB3 H 1 2.174 0.000 . 2 . . . . 64 GLN HB3 . 15173 1 639 . 1 1 64 64 GLN HG2 H 1 2.167 0.000 . 2 . . . . 64 GLN HG2 . 15173 1 640 . 1 1 64 64 GLN C C 13 176.400 0.000 . 1 . . . . 64 GLN C . 15173 1 641 . 1 1 64 64 GLN CA C 13 56.249 0.000 . 1 . . . . 64 GLN CA . 15173 1 642 . 1 1 64 64 GLN CB C 13 29.468 0.000 . 1 . . . . 64 GLN CB . 15173 1 643 . 1 1 64 64 GLN CG C 13 33.835 0.000 . 1 . . . . 64 GLN CG . 15173 1 644 . 1 1 64 64 GLN N N 15 119.075 0.018 . 1 . . . . 64 GLN N . 15173 1 645 . 1 1 65 65 THR H H 1 8.175 0.015 . 1 . . . . 65 THR H . 15173 1 646 . 1 1 65 65 THR HA H 1 4.306 0.002 . 1 . . . . 65 THR HA . 15173 1 647 . 1 1 65 65 THR HB H 1 4.233 0.002 . 1 . . . . 65 THR HB . 15173 1 648 . 1 1 65 65 THR HG21 H 1 1.210 0.007 . 1 . . . . 65 THR HG2 . 15173 1 649 . 1 1 65 65 THR HG22 H 1 1.210 0.007 . 1 . . . . 65 THR HG2 . 15173 1 650 . 1 1 65 65 THR HG23 H 1 1.210 0.007 . 1 . . . . 65 THR HG2 . 15173 1 651 . 1 1 65 65 THR CA C 13 62.573 0.000 . 1 . . . . 65 THR CA . 15173 1 652 . 1 1 65 65 THR CB C 13 69.678 0.000 . 1 . . . . 65 THR CB . 15173 1 653 . 1 1 65 65 THR CG2 C 13 21.736 0.024 . 1 . . . . 65 THR CG2 . 15173 1 654 . 1 1 65 65 THR N N 15 114.604 0.014 . 1 . . . . 65 THR N . 15173 1 655 . 1 1 66 66 LEU H H 1 8.115 0.014 . 1 . . . . 66 LEU H . 15173 1 656 . 1 1 66 66 LEU HA H 1 4.367 0.000 . 1 . . . . 66 LEU HA . 15173 1 657 . 1 1 66 66 LEU HB2 H 1 1.645 0.002 . 2 . . . . 66 LEU HB2 . 15173 1 658 . 1 1 66 66 LEU CA C 13 55.497 0.000 . 1 . . . . 66 LEU CA . 15173 1 659 . 1 1 66 66 LEU CB C 13 42.406 0.009 . 1 . . . . 66 LEU CB . 15173 1 660 . 1 1 66 66 LEU N N 15 124.452 0.018 . 1 . . . . 66 LEU N . 15173 1 661 . 1 1 67 67 GLN H H 1 8.244 0.002 . 1 . . . . 67 GLN H . 15173 1 662 . 1 1 67 67 GLN HA H 1 4.304 0.000 . 1 . . . . 67 GLN HA . 15173 1 663 . 1 1 67 67 GLN HB2 H 1 2.351 0.000 . 2 . . . . 67 GLN HB2 . 15173 1 664 . 1 1 67 67 GLN CA C 13 55.819 0.000 . 1 . . . . 67 GLN CA . 15173 1 665 . 1 1 67 67 GLN CB C 13 29.576 0.000 . 1 . . . . 67 GLN CB . 15173 1 666 . 1 1 67 67 GLN CG C 13 33.926 0.000 . 1 . . . . 67 GLN CG . 15173 1 667 . 1 1 67 67 GLN N N 15 121.036 0.013 . 1 . . . . 67 GLN N . 15173 1 668 . 1 1 68 68 ALA H H 1 8.221 0.013 . 1 . . . . 68 ALA H . 15173 1 669 . 1 1 68 68 ALA HA H 1 4.290 0.000 . 1 . . . . 68 ALA HA . 15173 1 670 . 1 1 68 68 ALA HB1 H 1 1.376 0.001 . 1 . . . . 68 ALA HB . 15173 1 671 . 1 1 68 68 ALA HB2 H 1 1.376 0.001 . 1 . . . . 68 ALA HB . 15173 1 672 . 1 1 68 68 ALA HB3 H 1 1.376 0.001 . 1 . . . . 68 ALA HB . 15173 1 673 . 1 1 68 68 ALA CA C 13 52.559 0.000 . 1 . . . . 68 ALA CA . 15173 1 674 . 1 1 68 68 ALA CB C 13 19.339 0.000 . 1 . . . . 68 ALA CB . 15173 1 675 . 1 1 68 68 ALA N N 15 125.087 0.008 . 1 . . . . 68 ALA N . 15173 1 676 . 1 1 69 69 GLN H H 1 8.278 0.013 . 1 . . . . 69 GLN H . 15173 1 677 . 1 1 69 69 GLN HA H 1 4.294 0.000 . 1 . . . . 69 GLN HA . 15173 1 678 . 1 1 69 69 GLN HB2 H 1 2.357 0.000 . 2 . . . . 69 GLN HB2 . 15173 1 679 . 1 1 69 69 GLN CA C 13 55.901 0.000 . 1 . . . . 69 GLN CA . 15173 1 680 . 1 1 69 69 GLN CB C 13 29.628 0.000 . 1 . . . . 69 GLN CB . 15173 1 681 . 1 1 69 69 GLN N N 15 120.023 0.004 . 1 . . . . 69 GLN N . 15173 1 682 . 1 1 70 70 GLN H H 1 7.972 0.014 . 1 . . . . 70 GLN H . 15173 1 683 . 1 1 70 70 GLN CA C 13 57.389 0.000 . 1 . . . . 70 GLN CA . 15173 1 684 . 1 1 70 70 GLN CB C 13 30.491 0.000 . 1 . . . . 70 GLN CB . 15173 1 685 . 1 1 70 70 GLN N N 15 126.788 0.005 . 1 . . . . 70 GLN N . 15173 1 stop_ save_