data_17476 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17476 _Entry.Title ; The solution structure of the ZnF UBP domain of USP33/VDU1. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-18 _Entry.Accession_date 2011-02-18 _Entry.Last_release_date 2011-03-08 _Entry.Original_release_date 2011-03-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Mark Allen . D. . 17476 2 Mark Bycroft . . . 17476 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17476 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 313 17476 '15N chemical shifts' 89 17476 '1H chemical shifts' 664 17476 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-03-08 2011-02-18 original author . 17476 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17476 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17766394 _Citation.Full_citation . _Citation.Title 'The solution structure of the ZnF UBP domain of USP33/VDU1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 9 _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 2072 _Citation.Page_last 2075 _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 Mark Allen . D. . 17476 1 2 Mark Bycroft . . . 17476 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17476 _Assembly.ID 1 _Assembly.Name zinc-finger _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 zinc-finger 1 $zinc_finger A . yes native no no . . . 17476 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_zinc_finger _Entity.Sf_category entity _Entity.Sf_framecode zinc_finger _Entity.Entry_ID 17476 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name zinc_finger _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RNHCPHLDSVGEITKEDLIQ KSLGTCQDCKVQGPNLWACL ENRCSYVGCGESQVDHSTIH SQETKHYLTVNLTTLRVWCY ACSKEVFLDRKLGTQ ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2UZG . "Zf-Ubp Domain Of Vdu1" . . . . . 100.00 97 100.00 100.00 7.88e-63 . . . . 17476 1 2 no DBJ BAA83049 . "KIAA1097 protein [Homo sapiens]" . . . . . 100.00 911 100.00 100.00 7.19e-59 . . . . 17476 1 3 no DBJ BAB14279 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 828 100.00 100.00 4.16e-59 . . . . 17476 1 4 no DBJ BAC65724 . "mKIAA1097 protein [Mus musculus]" . . . . . 98.95 837 97.87 98.94 2.06e-57 . . . . 17476 1 5 no DBJ BAE25565 . "unnamed protein product [Mus musculus]" . . . . . 98.95 880 97.87 98.94 3.92e-57 . . . . 17476 1 6 no DBJ BAG11281 . "ubiquitin carboxyl-terminal hydrolase 33 [synthetic construct]" . . . . . 100.00 911 100.00 100.00 7.19e-59 . . . . 17476 1 7 no EMBL CAH89842 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 914 97.89 98.95 2.17e-57 . . . . 17476 1 8 no GB AAH05506 . "Usp33 protein, partial [Mus musculus]" . . . . . 98.95 956 97.87 98.94 6.73e-57 . . . . 17476 1 9 no GB AAH16663 . "Ubiquitin specific peptidase 33 [Homo sapiens]" . . . . . 100.00 828 100.00 100.00 4.16e-59 . . . . 17476 1 10 no GB AAH89315 . "Usp33 protein, partial [Mus musculus]" . . . . . 98.95 954 97.87 98.94 6.83e-57 . . . . 17476 1 11 no GB AAI46303 . "Ubiquitin specific peptidase 33, partial [synthetic construct]" . . . . . 98.95 909 97.87 98.94 3.99e-57 . . . . 17476 1 12 no GB AAI48746 . "Ubiquitin specific peptidase 33 [synthetic construct]" . . . . . 98.95 909 97.87 98.94 3.99e-57 . . . . 17476 1 13 no REF NP_001070144 . "ubiquitin carboxyl-terminal hydrolase 33 isoform 2 [Mus musculus]" . . . . . 98.95 897 97.87 98.94 3.51e-57 . . . . 17476 1 14 no REF NP_001239415 . "ubiquitin carboxyl-terminal hydrolase 33 isoform 3 [Mus musculus]" . . . . . 98.95 901 97.87 98.94 3.71e-57 . . . . 17476 1 15 no REF NP_055832 . "ubiquitin carboxyl-terminal hydrolase 33 isoform 1 [Homo sapiens]" . . . . . 100.00 942 100.00 100.00 7.78e-59 . . . . 17476 1 16 no REF NP_573510 . "ubiquitin carboxyl-terminal hydrolase 33 isoform 1 [Mus musculus]" . . . . . 98.95 909 97.87 98.94 3.99e-57 . . . . 17476 1 17 no REF NP_963918 . "ubiquitin carboxyl-terminal hydrolase 33 isoform 2 [Homo sapiens]" . . . . . 100.00 911 100.00 100.00 7.55e-59 . . . . 17476 1 18 no SP Q5REG5 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 33; AltName: Full=Deubiquitinating enzyme 33; AltName: Full=Ubiquitin thioe" . . . . . 100.00 914 97.89 98.95 2.17e-57 . . . . 17476 1 19 no SP Q8R5K2 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 33; AltName: Full=Deubiquitinating enzyme 33; AltName: Full=Ubiquitin thioe" . . . . . 98.95 909 97.87 98.94 3.99e-57 . . . . 17476 1 20 no SP Q8TEY7 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 33; AltName: Full=Deubiquitinating enzyme 33; AltName: Full=Ubiquitin thioe" . . . . . 100.00 942 100.00 100.00 7.78e-59 . . . . 17476 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 36 ARG . 17476 1 2 37 ASN . 17476 1 3 38 HIS . 17476 1 4 39 CYS . 17476 1 5 40 PRO . 17476 1 6 41 HIS . 17476 1 7 42 LEU . 17476 1 8 43 ASP . 17476 1 9 44 SER . 17476 1 10 45 VAL . 17476 1 11 46 GLY . 17476 1 12 47 GLU . 17476 1 13 48 ILE . 17476 1 14 49 THR . 17476 1 15 50 LYS . 17476 1 16 51 GLU . 17476 1 17 52 ASP . 17476 1 18 53 LEU . 17476 1 19 54 ILE . 17476 1 20 55 GLN . 17476 1 21 56 LYS . 17476 1 22 57 SER . 17476 1 23 58 LEU . 17476 1 24 59 GLY . 17476 1 25 60 THR . 17476 1 26 61 CYS . 17476 1 27 62 GLN . 17476 1 28 63 ASP . 17476 1 29 64 CYS . 17476 1 30 65 LYS . 17476 1 31 66 VAL . 17476 1 32 67 GLN . 17476 1 33 68 GLY . 17476 1 34 69 PRO . 17476 1 35 70 ASN . 17476 1 36 71 LEU . 17476 1 37 72 TRP . 17476 1 38 73 ALA . 17476 1 39 74 CYS . 17476 1 40 75 LEU . 17476 1 41 76 GLU . 17476 1 42 77 ASN . 17476 1 43 78 ARG . 17476 1 44 79 CYS . 17476 1 45 80 SER . 17476 1 46 81 TYR . 17476 1 47 82 VAL . 17476 1 48 83 GLY . 17476 1 49 84 CYS . 17476 1 50 85 GLY . 17476 1 51 86 GLU . 17476 1 52 87 SER . 17476 1 53 88 GLN . 17476 1 54 89 VAL . 17476 1 55 90 ASP . 17476 1 56 91 HIS . 17476 1 57 92 SER . 17476 1 58 93 THR . 17476 1 59 94 ILE . 17476 1 60 95 HIS . 17476 1 61 96 SER . 17476 1 62 97 GLN . 17476 1 63 98 GLU . 17476 1 64 99 THR . 17476 1 65 100 LYS . 17476 1 66 101 HIS . 17476 1 67 102 TYR . 17476 1 68 103 LEU . 17476 1 69 104 THR . 17476 1 70 105 VAL . 17476 1 71 106 ASN . 17476 1 72 107 LEU . 17476 1 73 108 THR . 17476 1 74 109 THR . 17476 1 75 110 LEU . 17476 1 76 111 ARG . 17476 1 77 112 VAL . 17476 1 78 113 TRP . 17476 1 79 114 CYS . 17476 1 80 115 TYR . 17476 1 81 116 ALA . 17476 1 82 117 CYS . 17476 1 83 118 SER . 17476 1 84 119 LYS . 17476 1 85 120 GLU . 17476 1 86 121 VAL . 17476 1 87 122 PHE . 17476 1 88 123 LEU . 17476 1 89 124 ASP . 17476 1 90 125 ARG . 17476 1 91 126 LYS . 17476 1 92 127 LEU . 17476 1 93 128 GLY . 17476 1 94 129 THR . 17476 1 95 130 GLN . 17476 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 . ARG 1 1 17476 1 . ASN 2 2 17476 1 . HIS 3 3 17476 1 . CYS 4 4 17476 1 . PRO 5 5 17476 1 . HIS 6 6 17476 1 . LEU 7 7 17476 1 . ASP 8 8 17476 1 . SER 9 9 17476 1 . VAL 10 10 17476 1 . GLY 11 11 17476 1 . GLU 12 12 17476 1 . ILE 13 13 17476 1 . THR 14 14 17476 1 . LYS 15 15 17476 1 . GLU 16 16 17476 1 . ASP 17 17 17476 1 . LEU 18 18 17476 1 . ILE 19 19 17476 1 . GLN 20 20 17476 1 . LYS 21 21 17476 1 . SER 22 22 17476 1 . LEU 23 23 17476 1 . GLY 24 24 17476 1 . THR 25 25 17476 1 . CYS 26 26 17476 1 . GLN 27 27 17476 1 . ASP 28 28 17476 1 . CYS 29 29 17476 1 . LYS 30 30 17476 1 . VAL 31 31 17476 1 . GLN 32 32 17476 1 . GLY 33 33 17476 1 . PRO 34 34 17476 1 . ASN 35 35 17476 1 . LEU 36 36 17476 1 . TRP 37 37 17476 1 . ALA 38 38 17476 1 . CYS 39 39 17476 1 . LEU 40 40 17476 1 . GLU 41 41 17476 1 . ASN 42 42 17476 1 . ARG 43 43 17476 1 . CYS 44 44 17476 1 . SER 45 45 17476 1 . TYR 46 46 17476 1 . VAL 47 47 17476 1 . GLY 48 48 17476 1 . CYS 49 49 17476 1 . GLY 50 50 17476 1 . GLU 51 51 17476 1 . SER 52 52 17476 1 . GLN 53 53 17476 1 . VAL 54 54 17476 1 . ASP 55 55 17476 1 . HIS 56 56 17476 1 . SER 57 57 17476 1 . THR 58 58 17476 1 . ILE 59 59 17476 1 . HIS 60 60 17476 1 . SER 61 61 17476 1 . GLN 62 62 17476 1 . GLU 63 63 17476 1 . THR 64 64 17476 1 . LYS 65 65 17476 1 . HIS 66 66 17476 1 . TYR 67 67 17476 1 . LEU 68 68 17476 1 . THR 69 69 17476 1 . VAL 70 70 17476 1 . ASN 71 71 17476 1 . LEU 72 72 17476 1 . THR 73 73 17476 1 . THR 74 74 17476 1 . LEU 75 75 17476 1 . ARG 76 76 17476 1 . VAL 77 77 17476 1 . TRP 78 78 17476 1 . CYS 79 79 17476 1 . TYR 80 80 17476 1 . ALA 81 81 17476 1 . CYS 82 82 17476 1 . SER 83 83 17476 1 . LYS 84 84 17476 1 . GLU 85 85 17476 1 . VAL 86 86 17476 1 . PHE 87 87 17476 1 . LEU 88 88 17476 1 . ASP 89 89 17476 1 . ARG 90 90 17476 1 . LYS 91 91 17476 1 . LEU 92 92 17476 1 . GLY 93 93 17476 1 . THR 94 94 17476 1 . GLN 95 95 17476 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17476 _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 $zinc_finger . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17476 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 17476 _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 $zinc_finger . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pRSETa (modified)' . . . . . . 17476 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17476 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 zinc_finger '[U-99% 13C; U-99% 15N]' . . 1 $zinc_finger . . 1.0 . . mM . . . . 17476 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17476 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 17476 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17476 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17476 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 17476 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 20mM Mes, pH 6.5, 50mM NaCl ; 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' 0.05 . M 17476 1 pH 6.5 . pH 17476 1 pressure 1 . atm 17476 1 temperature 298 . K 17476 1 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 17476 _Software.ID 1 _Software.Name ANSIG _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 17476 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17476 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 17476 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ 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 17476 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 17476 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 17476 _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-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17476 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17476 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17476 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17476 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 17476 _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 carbon' . . . . ppm 0.0 external direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 17476 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 17476 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 100 external direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 17476 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 17476 _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-1H NOESY' . . . 17476 1 2 '3D CBCA(CO)NH' . . . 17476 1 3 '3D HNCACB' . . . 17476 1 4 '3D HNCO' . . . 17476 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 ARG HA H 1 4.241 0.001 . 1 . . . . 36 Arg HA . 17476 1 2 . 1 1 1 1 ARG HB2 H 1 1.773 0.001 . 2 . . . . 36 Arg HB2 . 17476 1 3 . 1 1 1 1 ARG HB3 H 1 1.704 0.001 . 2 . . . . 36 Arg HB3 . 17476 1 4 . 1 1 1 1 ARG HG2 H 1 1.563 0.001 . 2 . . . . 36 Arg HG2 . 17476 1 5 . 1 1 1 1 ARG HG3 H 1 1.616 0.001 . 2 . . . . 36 Arg HG3 . 17476 1 6 . 1 1 1 1 ARG HD2 H 1 3.078 0.001 . 2 . . . . 36 Arg HD . 17476 1 7 . 1 1 1 1 ARG HD3 H 1 3.078 0.001 . 2 . . . . 36 Arg HD . 17476 1 8 . 1 1 1 1 ARG HE H 1 7.260 0.001 . 1 . . . . 36 Arg HE . 17476 1 9 . 1 1 1 1 ARG C C 13 175.940 0.010 . 1 . . . . 36 Arg CO . 17476 1 10 . 1 1 1 1 ARG CA C 13 56.290 0.010 . 1 . . . . 36 Arg CA . 17476 1 11 . 1 1 1 1 ARG CB C 13 30.670 0.010 . 1 . . . . 36 Arg CB . 17476 1 12 . 1 1 2 2 ASN H H 1 8.248 0.001 . 1 . . . . 37 Asn HN . 17476 1 13 . 1 1 2 2 ASN HA H 1 4.648 0.001 . 1 . . . . 37 Asn HA . 17476 1 14 . 1 1 2 2 ASN HB2 H 1 2.701 0.001 . 2 . . . . 37 Asn HB2 . 17476 1 15 . 1 1 2 2 ASN HB3 H 1 2.780 0.001 . 2 . . . . 37 Asn HB3 . 17476 1 16 . 1 1 2 2 ASN HD21 H 1 7.051 0.001 . 1 . . . . 37 Asn HD21 . 17476 1 17 . 1 1 2 2 ASN HD22 H 1 7.652 0.001 . 1 . . . . 37 Asn HD22 . 17476 1 18 . 1 1 2 2 ASN C C 13 174.430 0.010 . 1 . . . . 37 Asn CO . 17476 1 19 . 1 1 2 2 ASN CA C 13 53.550 0.010 . 1 . . . . 37 Asn CA . 17476 1 20 . 1 1 2 2 ASN CB C 13 39.460 0.010 . 1 . . . . 37 Asn CB . 17476 1 21 . 1 1 2 2 ASN N N 15 118.220 0.010 . 1 . . . . 37 Asn N . 17476 1 22 . 1 1 3 3 HIS H H 1 8.200 0.001 . 1 . . . . 38 His HN . 17476 1 23 . 1 1 3 3 HIS HA H 1 4.586 0.001 . 1 . . . . 38 His HA . 17476 1 24 . 1 1 3 3 HIS HB2 H 1 3.024 0.001 . 2 . . . . 38 His HB2 . 17476 1 25 . 1 1 3 3 HIS HB3 H 1 3.067 0.001 . 2 . . . . 38 His HB3 . 17476 1 26 . 1 1 3 3 HIS HD2 H 1 7.024 0.001 . 1 . . . . 38 His HD2 . 17476 1 27 . 1 1 3 3 HIS HE1 H 1 8.003 0.001 . 1 . . . . 38 His HE1 . 17476 1 28 . 1 1 3 3 HIS C C 13 175.110 0.010 . 1 . . . . 38 His CO . 17476 1 29 . 1 1 3 3 HIS N N 15 119.040 0.010 . 1 . . . . 38 His N . 17476 1 30 . 1 1 4 4 CYS H H 1 8.051 0.001 . 1 . . . . 39 Cys HN . 17476 1 31 . 1 1 4 4 CYS HA H 1 4.690 0.001 . 1 . . . . 39 Cys HA . 17476 1 32 . 1 1 4 4 CYS HB2 H 1 2.651 0.001 . 1 . . . . 39 Cys HB2 . 17476 1 33 . 1 1 4 4 CYS HB3 H 1 2.922 0.001 . 1 . . . . 39 Cys HB3 . 17476 1 34 . 1 1 5 5 PRO HA H 1 4.484 0.001 . 1 . . . . 40 Pro HA . 17476 1 35 . 1 1 5 5 PRO HB2 H 1 1.670 0.001 . 2 . . . . 40 Pro HB2 . 17476 1 36 . 1 1 5 5 PRO HB3 H 1 1.949 0.001 . 2 . . . . 40 Pro HB3 . 17476 1 37 . 1 1 5 5 PRO HG2 H 1 0.469 0.001 . 2 . . . . 40 Pro HG2 . 17476 1 38 . 1 1 5 5 PRO HG3 H 1 1.709 0.001 . 2 . . . . 40 Pro HG3 . 17476 1 39 . 1 1 5 5 PRO HD2 H 1 3.560 0.001 . 2 . . . . 40 Pro HD2 . 17476 1 40 . 1 1 5 5 PRO HD3 H 1 3.306 0.001 . 2 . . . . 40 Pro HD3 . 17476 1 41 . 1 1 5 5 PRO C C 13 176.800 0.010 . 1 . . . . 40 Pro CO . 17476 1 42 . 1 1 5 5 PRO CA C 13 63.130 0.010 . 1 . . . . 40 Pro CA . 17476 1 43 . 1 1 5 5 PRO CB C 13 31.710 0.010 . 1 . . . . 40 Pro CB . 17476 1 44 . 1 1 6 6 HIS H H 1 9.560 0.001 . 1 . . . . 41 His HN . 17476 1 45 . 1 1 6 6 HIS HA H 1 4.519 0.001 . 1 . . . . 41 His HA . 17476 1 46 . 1 1 6 6 HIS HB2 H 1 3.663 0.001 . 1 . . . . 41 His HB2 . 17476 1 47 . 1 1 6 6 HIS HB3 H 1 2.973 0.001 . 1 . . . . 41 His HB3 . 17476 1 48 . 1 1 6 6 HIS HD2 H 1 7.310 0.001 . 1 . . . . 41 His HD2 . 17476 1 49 . 1 1 6 6 HIS HE1 H 1 7.752 0.001 . 1 . . . . 41 His HE1 . 17476 1 50 . 1 1 6 6 HIS C C 13 176.770 0.010 . 1 . . . . 41 His CO . 17476 1 51 . 1 1 6 6 HIS CA C 13 59.050 0.010 . 1 . . . . 41 His CA . 17476 1 52 . 1 1 6 6 HIS CB C 13 30.280 0.010 . 1 . . . . 41 His CB . 17476 1 53 . 1 1 6 6 HIS N N 15 124.360 0.010 . 1 . . . . 41 His N . 17476 1 54 . 1 1 7 7 LEU H H 1 7.412 0.001 . 1 . . . . 42 Leu HN . 17476 1 55 . 1 1 7 7 LEU HA H 1 4.004 0.001 . 1 . . . . 42 Leu HA . 17476 1 56 . 1 1 7 7 LEU HB2 H 1 1.820 0.001 . 1 . . . . 42 Leu HB2 . 17476 1 57 . 1 1 7 7 LEU HB3 H 1 1.607 0.001 . 1 . . . . 42 Leu HB3 . 17476 1 58 . 1 1 7 7 LEU HG H 1 2.013 0.001 . 1 . . . . 42 Leu HG . 17476 1 59 . 1 1 7 7 LEU HD11 H 1 0.985 0.001 . 2 . . . . 42 Leu HD1 . 17476 1 60 . 1 1 7 7 LEU HD12 H 1 0.985 0.001 . 2 . . . . 42 Leu HD1 . 17476 1 61 . 1 1 7 7 LEU HD13 H 1 0.985 0.001 . 2 . . . . 42 Leu HD1 . 17476 1 62 . 1 1 7 7 LEU HD21 H 1 0.847 0.001 . 2 . . . . 42 Leu HD2 . 17476 1 63 . 1 1 7 7 LEU HD22 H 1 0.847 0.001 . 2 . . . . 42 Leu HD2 . 17476 1 64 . 1 1 7 7 LEU HD23 H 1 0.847 0.001 . 2 . . . . 42 Leu HD2 . 17476 1 65 . 1 1 7 7 LEU C C 13 177.890 0.010 . 1 . . . . 42 Leu CO . 17476 1 66 . 1 1 7 7 LEU CA C 13 57.180 0.010 . 1 . . . . 42 Leu CA . 17476 1 67 . 1 1 7 7 LEU CB C 13 42.150 0.010 . 1 . . . . 42 Leu CB . 17476 1 68 . 1 1 7 7 LEU CD1 C 13 24.890 0.010 . 1 . . . . 42 Leu CD1 . 17476 1 69 . 1 1 7 7 LEU CD2 C 13 23.410 0.010 . 1 . . . . 42 Leu CD2 . 17476 1 70 . 1 1 7 7 LEU N N 15 120.140 0.010 . 1 . . . . 42 Leu N . 17476 1 71 . 1 1 8 8 ASP H H 1 8.006 0.001 . 1 . . . . 43 Asp HN . 17476 1 72 . 1 1 8 8 ASP HA H 1 4.476 0.001 . 1 . . . . 43 Asp HA . 17476 1 73 . 1 1 8 8 ASP HB2 H 1 2.672 0.001 . 2 . . . . 43 Asp HB2 . 17476 1 74 . 1 1 8 8 ASP HB3 H 1 2.721 0.001 . 2 . . . . 43 Asp HB3 . 17476 1 75 . 1 1 8 8 ASP C C 13 176.930 0.010 . 1 . . . . 43 Asp CO . 17476 1 76 . 1 1 8 8 ASP CA C 13 56.510 0.010 . 1 . . . . 43 Asp CA . 17476 1 77 . 1 1 8 8 ASP CB C 13 40.110 0.010 . 1 . . . . 43 Asp CB . 17476 1 78 . 1 1 8 8 ASP N N 15 117.980 0.010 . 1 . . . . 43 Asp N . 17476 1 79 . 1 1 9 9 SER H H 1 7.832 0.001 . 1 . . . . 44 Ser HN . 17476 1 80 . 1 1 9 9 SER HA H 1 4.406 0.001 . 1 . . . . 44 Ser HA . 17476 1 81 . 1 1 9 9 SER HB2 H 1 4.063 0.001 . 2 . . . . 44 Ser HB . 17476 1 82 . 1 1 9 9 SER HB3 H 1 4.063 0.001 . 2 . . . . 44 Ser HB . 17476 1 83 . 1 1 9 9 SER C C 13 174.080 0.010 . 1 . . . . 44 Ser CO . 17476 1 84 . 1 1 9 9 SER CA C 13 59.550 0.010 . 1 . . . . 44 Ser CA . 17476 1 85 . 1 1 9 9 SER CB C 13 63.890 0.010 . 1 . . . . 44 Ser CB . 17476 1 86 . 1 1 9 9 SER N N 15 113.590 0.010 . 1 . . . . 44 Ser N . 17476 1 87 . 1 1 10 10 VAL H H 1 7.225 0.001 . 1 . . . . 45 Val HN . 17476 1 88 . 1 1 10 10 VAL HA H 1 4.267 0.001 . 1 . . . . 45 Val HA . 17476 1 89 . 1 1 10 10 VAL HB H 1 2.214 0.001 . 1 . . . . 45 Val HB . 17476 1 90 . 1 1 10 10 VAL HG11 H 1 1.081 0.001 . 2 . . . . 45 Val HG1 . 17476 1 91 . 1 1 10 10 VAL HG12 H 1 1.081 0.001 . 2 . . . . 45 Val HG1 . 17476 1 92 . 1 1 10 10 VAL HG13 H 1 1.081 0.001 . 2 . . . . 45 Val HG1 . 17476 1 93 . 1 1 10 10 VAL HG21 H 1 1.040 0.001 . 2 . . . . 45 Val HG2 . 17476 1 94 . 1 1 10 10 VAL HG22 H 1 1.040 0.001 . 2 . . . . 45 Val HG2 . 17476 1 95 . 1 1 10 10 VAL HG23 H 1 1.040 0.001 . 2 . . . . 45 Val HG2 . 17476 1 96 . 1 1 10 10 VAL C C 13 176.800 0.010 . 1 . . . . 45 Val CO . 17476 1 97 . 1 1 10 10 VAL CA C 13 62.350 0.010 . 1 . . . . 45 Val CA . 17476 1 98 . 1 1 10 10 VAL CB C 13 32.650 0.010 . 1 . . . . 45 Val CB . 17476 1 99 . 1 1 10 10 VAL CG1 C 13 21.170 0.010 . 1 . . . . 45 Val CG1 . 17476 1 100 . 1 1 10 10 VAL CG2 C 13 21.280 0.010 . 1 . . . . 45 Val CG2 . 17476 1 101 . 1 1 10 10 VAL N N 15 120.140 0.010 . 1 . . . . 45 Val N . 17476 1 102 . 1 1 11 11 GLY H H 1 8.256 0.001 . 1 . . . . 46 Gly HN . 17476 1 103 . 1 1 11 11 GLY HA2 H 1 4.366 0.001 . 2 . . . . 46 Gly HA2 . 17476 1 104 . 1 1 11 11 GLY HA3 H 1 3.713 0.001 . 2 . . . . 46 Gly HA3 . 17476 1 105 . 1 1 11 11 GLY C C 13 172.900 0.010 . 1 . . . . 46 Gly CO . 17476 1 106 . 1 1 11 11 GLY CA C 13 44.380 0.010 . 1 . . . . 46 Gly CA . 17476 1 107 . 1 1 11 11 GLY N N 15 112.990 0.010 . 1 . . . . 46 Gly N . 17476 1 108 . 1 1 12 12 GLU H H 1 8.282 0.001 . 1 . . . . 47 Glu HN . 17476 1 109 . 1 1 12 12 GLU HA H 1 4.295 0.001 . 1 . . . . 47 Glu HA . 17476 1 110 . 1 1 12 12 GLU HB2 H 1 1.878 0.001 . 1 . . . . 47 Glu HB2 . 17476 1 111 . 1 1 12 12 GLU HB3 H 1 1.937 0.001 . 1 . . . . 47 Glu HB3 . 17476 1 112 . 1 1 12 12 GLU HG2 H 1 2.157 0.001 . 2 . . . . 47 Glu HG2 . 17476 1 113 . 1 1 12 12 GLU HG3 H 1 2.221 0.001 . 2 . . . . 47 Glu HG3 . 17476 1 114 . 1 1 12 12 GLU C C 13 176.200 0.010 . 1 . . . . 47 Glu CO . 17476 1 115 . 1 1 12 12 GLU CA C 13 56.240 0.010 . 1 . . . . 47 Glu CA . 17476 1 116 . 1 1 12 12 GLU CB C 13 30.120 0.010 . 1 . . . . 47 Glu CB . 17476 1 117 . 1 1 12 12 GLU N N 15 120.550 0.010 . 1 . . . . 47 Glu N . 17476 1 118 . 1 1 13 13 ILE H H 1 8.221 0.001 . 1 . . . . 48 Ile HN . 17476 1 119 . 1 1 13 13 ILE HA H 1 4.482 0.001 . 1 . . . . 48 Ile HA . 17476 1 120 . 1 1 13 13 ILE HB H 1 1.729 0.001 . 1 . . . . 48 Ile HB . 17476 1 121 . 1 1 13 13 ILE HG12 H 1 1.524 0.001 . 2 . . . . 48 Ile HG12 . 17476 1 122 . 1 1 13 13 ILE HG13 H 1 1.147 0.001 . 2 . . . . 48 Ile HG13 . 17476 1 123 . 1 1 13 13 ILE HG21 H 1 0.820 0.001 . 1 . . . . 48 Ile HG2 . 17476 1 124 . 1 1 13 13 ILE HG22 H 1 0.820 0.001 . 1 . . . . 48 Ile HG2 . 17476 1 125 . 1 1 13 13 ILE HG23 H 1 0.820 0.001 . 1 . . . . 48 Ile HG2 . 17476 1 126 . 1 1 13 13 ILE HD11 H 1 0.767 0.001 . 1 . . . . 48 Ile HD1 . 17476 1 127 . 1 1 13 13 ILE HD12 H 1 0.767 0.001 . 1 . . . . 48 Ile HD1 . 17476 1 128 . 1 1 13 13 ILE HD13 H 1 0.767 0.001 . 1 . . . . 48 Ile HD1 . 17476 1 129 . 1 1 13 13 ILE C C 13 175.340 0.010 . 1 . . . . 48 Ile CO . 17476 1 130 . 1 1 13 13 ILE CA C 13 60.020 0.010 . 1 . . . . 48 Ile CA . 17476 1 131 . 1 1 13 13 ILE CB C 13 40.220 0.010 . 1 . . . . 48 Ile CB . 17476 1 132 . 1 1 13 13 ILE CD1 C 13 13.950 0.010 . 1 . . . . 48 Ile CD1 . 17476 1 133 . 1 1 13 13 ILE N N 15 124.480 0.010 . 1 . . . . 48 Ile N . 17476 1 134 . 1 1 14 14 THR H H 1 8.553 0.001 . 1 . . . . 49 Thr HN . 17476 1 135 . 1 1 14 14 THR HA H 1 4.651 0.001 . 1 . . . . 49 Thr HA . 17476 1 136 . 1 1 14 14 THR HB H 1 4.556 0.001 . 1 . . . . 49 Thr HB . 17476 1 137 . 1 1 14 14 THR HG21 H 1 1.236 0.001 . 1 . . . . 49 Thr HG2 . 17476 1 138 . 1 1 14 14 THR HG22 H 1 1.236 0.001 . 1 . . . . 49 Thr HG2 . 17476 1 139 . 1 1 14 14 THR HG23 H 1 1.236 0.001 . 1 . . . . 49 Thr HG2 . 17476 1 140 . 1 1 14 14 THR C C 13 175.000 0.010 . 1 . . . . 49 Thr CO . 17476 1 141 . 1 1 14 14 THR CA C 13 59.970 0.010 . 1 . . . . 49 Thr CA . 17476 1 142 . 1 1 14 14 THR CB C 13 71.530 0.010 . 1 . . . . 49 Thr CB . 17476 1 143 . 1 1 14 14 THR CG2 C 13 21.200 0.010 . 1 . . . . 49 Thr CG2 . 17476 1 144 . 1 1 14 14 THR N N 15 117.280 0.010 . 1 . . . . 49 Thr N . 17476 1 145 . 1 1 15 15 LYS H H 1 8.976 0.001 . 1 . . . . 50 Lys HN . 17476 1 146 . 1 1 15 15 LYS HA H 1 3.865 0.001 . 1 . . . . 50 Lys HA . 17476 1 147 . 1 1 15 15 LYS HB2 H 1 1.862 0.001 . 2 . . . . 50 Lys HB2 . 17476 1 148 . 1 1 15 15 LYS HB3 H 1 1.778 0.001 . 2 . . . . 50 Lys HB3 . 17476 1 149 . 1 1 15 15 LYS HG2 H 1 1.412 0.001 . 2 . . . . 50 Lys HG . 17476 1 150 . 1 1 15 15 LYS HG3 H 1 1.412 0.001 . 2 . . . . 50 Lys HG . 17476 1 151 . 1 1 15 15 LYS HD2 H 1 1.677 0.001 . 2 . . . . 50 Lys HD . 17476 1 152 . 1 1 15 15 LYS HD3 H 1 1.677 0.001 . 2 . . . . 50 Lys HD . 17476 1 153 . 1 1 15 15 LYS HE2 H 1 2.928 0.001 . 2 . . . . 50 Lys HE . 17476 1 154 . 1 1 15 15 LYS HE3 H 1 2.928 0.001 . 2 . . . . 50 Lys HE . 17476 1 155 . 1 1 15 15 LYS C C 13 178.230 0.010 . 1 . . . . 50 Lys CO . 17476 1 156 . 1 1 15 15 LYS CA C 13 59.820 0.010 . 1 . . . . 50 Lys CA . 17476 1 157 . 1 1 15 15 LYS CB C 13 32.180 0.010 . 1 . . . . 50 Lys CB . 17476 1 158 . 1 1 15 15 LYS N N 15 123.060 0.010 . 1 . . . . 50 Lys N . 17476 1 159 . 1 1 16 16 GLU H H 1 8.817 0.001 . 1 . . . . 51 Glu HN . 17476 1 160 . 1 1 16 16 GLU HA H 1 3.912 0.001 . 1 . . . . 51 Glu HA . 17476 1 161 . 1 1 16 16 GLU HB2 H 1 1.906 0.001 . 2 . . . . 51 Glu HB2 . 17476 1 162 . 1 1 16 16 GLU HB3 H 1 2.017 0.001 . 2 . . . . 51 Glu HB3 . 17476 1 163 . 1 1 16 16 GLU HG2 H 1 2.225 0.001 . 2 . . . . 51 Glu HG2 . 17476 1 164 . 1 1 16 16 GLU HG3 H 1 2.413 0.001 . 2 . . . . 51 Glu HG3 . 17476 1 165 . 1 1 16 16 GLU C C 13 178.940 0.010 . 1 . . . . 51 Glu CO . 17476 1 166 . 1 1 16 16 GLU CA C 13 60.450 0.010 . 1 . . . . 51 Glu CA . 17476 1 167 . 1 1 16 16 GLU CB C 13 28.610 0.010 . 1 . . . . 51 Glu CB . 17476 1 168 . 1 1 16 16 GLU N N 15 117.280 0.010 . 1 . . . . 51 Glu N . 17476 1 169 . 1 1 17 17 ASP H H 1 7.687 0.001 . 1 . . . . 52 Asp HN . 17476 1 170 . 1 1 17 17 ASP HA H 1 4.391 0.001 . 1 . . . . 52 Asp HA . 17476 1 171 . 1 1 17 17 ASP HB2 H 1 2.499 0.001 . 1 . . . . 52 Asp HB2 . 17476 1 172 . 1 1 17 17 ASP HB3 H 1 2.874 0.001 . 1 . . . . 52 Asp HB3 . 17476 1 173 . 1 1 17 17 ASP C C 13 178.430 0.010 . 1 . . . . 52 Asp CO . 17476 1 174 . 1 1 17 17 ASP CA C 13 57.240 0.010 . 1 . . . . 52 Asp CA . 17476 1 175 . 1 1 17 17 ASP CB C 13 41.200 0.010 . 1 . . . . 52 Asp CB . 17476 1 176 . 1 1 17 17 ASP N N 15 120.330 0.010 . 1 . . . . 52 Asp N . 17476 1 177 . 1 1 18 18 LEU H H 1 7.716 0.001 . 1 . . . . 53 Leu HN . 17476 1 178 . 1 1 18 18 LEU HA H 1 3.815 0.001 . 1 . . . . 53 Leu HA . 17476 1 179 . 1 1 18 18 LEU HB2 H 1 1.367 0.001 . 1 . . . . 53 Leu HB2 . 17476 1 180 . 1 1 18 18 LEU HB3 H 1 1.991 0.001 . 1 . . . . 53 Leu HB3 . 17476 1 181 . 1 1 18 18 LEU HG H 1 1.801 0.001 . 1 . . . . 53 Leu HG . 17476 1 182 . 1 1 18 18 LEU HD11 H 1 0.764 0.001 . 2 . . . . 53 Leu HD1 . 17476 1 183 . 1 1 18 18 LEU HD12 H 1 0.764 0.001 . 2 . . . . 53 Leu HD1 . 17476 1 184 . 1 1 18 18 LEU HD13 H 1 0.764 0.001 . 2 . . . . 53 Leu HD1 . 17476 1 185 . 1 1 18 18 LEU HD21 H 1 0.648 0.001 . 2 . . . . 53 Leu HD2 . 17476 1 186 . 1 1 18 18 LEU HD22 H 1 0.648 0.001 . 2 . . . . 53 Leu HD2 . 17476 1 187 . 1 1 18 18 LEU HD23 H 1 0.648 0.001 . 2 . . . . 53 Leu HD2 . 17476 1 188 . 1 1 18 18 LEU C C 13 179.640 0.010 . 1 . . . . 53 Leu CO . 17476 1 189 . 1 1 18 18 LEU CA C 13 58.000 0.010 . 1 . . . . 53 Leu CA . 17476 1 190 . 1 1 18 18 LEU CB C 13 40.730 0.010 . 1 . . . . 53 Leu CB . 17476 1 191 . 1 1 18 18 LEU CD1 C 13 25.020 0.010 . 1 . . . . 53 Leu CD1 . 17476 1 192 . 1 1 18 18 LEU CD2 C 13 22.000 0.010 . 1 . . . . 53 Leu CD2 . 17476 1 193 . 1 1 18 18 LEU N N 15 119.270 0.010 . 1 . . . . 53 Leu N . 17476 1 194 . 1 1 19 19 ILE H H 1 8.198 0.001 . 1 . . . . 54 Ile HN . 17476 1 195 . 1 1 19 19 ILE HA H 1 3.631 0.001 . 1 . . . . 54 Ile HA . 17476 1 196 . 1 1 19 19 ILE HB H 1 1.868 0.001 . 1 . . . . 54 Ile HB . 17476 1 197 . 1 1 19 19 ILE HG12 H 1 1.673 0.001 . 2 . . . . 54 Ile HG12 . 17476 1 198 . 1 1 19 19 ILE HG13 H 1 1.147 0.001 . 2 . . . . 54 Ile HG13 . 17476 1 199 . 1 1 19 19 ILE HG21 H 1 0.835 0.001 . 1 . . . . 54 Ile HG2 . 17476 1 200 . 1 1 19 19 ILE HG22 H 1 0.835 0.001 . 1 . . . . 54 Ile HG2 . 17476 1 201 . 1 1 19 19 ILE HG23 H 1 0.835 0.001 . 1 . . . . 54 Ile HG2 . 17476 1 202 . 1 1 19 19 ILE HD11 H 1 0.800 0.001 . 1 . . . . 54 Ile HD1 . 17476 1 203 . 1 1 19 19 ILE HD12 H 1 0.800 0.001 . 1 . . . . 54 Ile HD1 . 17476 1 204 . 1 1 19 19 ILE HD13 H 1 0.800 0.001 . 1 . . . . 54 Ile HD1 . 17476 1 205 . 1 1 19 19 ILE C C 13 179.850 0.010 . 1 . . . . 54 Ile CO . 17476 1 206 . 1 1 19 19 ILE CA C 13 64.620 0.010 . 1 . . . . 54 Ile CA . 17476 1 207 . 1 1 19 19 ILE CB C 13 37.550 0.010 . 1 . . . . 54 Ile CB . 17476 1 208 . 1 1 19 19 ILE N N 15 119.590 0.010 . 1 . . . . 54 Ile N . 17476 1 209 . 1 1 20 20 GLN H H 1 8.043 0.001 . 1 . . . . 55 Gln HN . 17476 1 210 . 1 1 20 20 GLN HA H 1 3.922 0.001 . 1 . . . . 55 Gln HA . 17476 1 211 . 1 1 20 20 GLN HB2 H 1 2.162 0.001 . 2 . . . . 55 Gln HB . 17476 1 212 . 1 1 20 20 GLN HB3 H 1 2.162 0.001 . 2 . . . . 55 Gln HB . 17476 1 213 . 1 1 20 20 GLN HG2 H 1 2.428 0.001 . 2 . . . . 55 Gln HG . 17476 1 214 . 1 1 20 20 GLN HG3 H 1 2.428 0.001 . 2 . . . . 55 Gln HG . 17476 1 215 . 1 1 20 20 GLN HE21 H 1 6.814 0.001 . 1 . . . . 55 Gln HE21 . 17476 1 216 . 1 1 20 20 GLN HE22 H 1 7.503 0.001 . 1 . . . . 55 Gln HE22 . 17476 1 217 . 1 1 20 20 GLN C C 13 179.770 0.010 . 1 . . . . 55 Gln CO . 17476 1 218 . 1 1 20 20 GLN CA C 13 59.350 0.010 . 1 . . . . 55 Gln CA . 17476 1 219 . 1 1 20 20 GLN CB C 13 28.010 0.010 . 1 . . . . 55 Gln CB . 17476 1 220 . 1 1 20 20 GLN N N 15 119.880 0.010 . 1 . . . . 55 Gln N . 17476 1 221 . 1 1 21 21 LYS H H 1 8.311 0.001 . 1 . . . . 56 Lys HN . 17476 1 222 . 1 1 21 21 LYS HA H 1 3.949 0.001 . 1 . . . . 56 Lys HA . 17476 1 223 . 1 1 21 21 LYS HB2 H 1 1.680 0.001 . 2 . . . . 56 Lys HB2 . 17476 1 224 . 1 1 21 21 LYS HB3 H 1 1.795 0.001 . 2 . . . . 56 Lys HB3 . 17476 1 225 . 1 1 21 21 LYS HG2 H 1 1.434 0.001 . 2 . . . . 56 Lys HG2 . 17476 1 226 . 1 1 21 21 LYS HG3 H 1 1.275 0.001 . 2 . . . . 56 Lys HG3 . 17476 1 227 . 1 1 21 21 LYS HD2 H 1 1.500 0.001 . 2 . . . . 56 Lys HD2 . 17476 1 228 . 1 1 21 21 LYS HD3 H 1 1.371 0.001 . 2 . . . . 56 Lys HD3 . 17476 1 229 . 1 1 21 21 LYS HE2 H 1 2.817 0.001 . 2 . . . . 56 Lys HE . 17476 1 230 . 1 1 21 21 LYS HE3 H 1 2.817 0.001 . 2 . . . . 56 Lys HE . 17476 1 231 . 1 1 21 21 LYS C C 13 179.040 0.010 . 1 . . . . 56 Lys CO . 17476 1 232 . 1 1 21 21 LYS CA C 13 59.560 0.010 . 1 . . . . 56 Lys CA . 17476 1 233 . 1 1 21 21 LYS CB C 13 33.600 0.010 . 1 . . . . 56 Lys CB . 17476 1 234 . 1 1 21 21 LYS N N 15 119.270 0.010 . 1 . . . . 56 Lys N . 17476 1 235 . 1 1 22 22 SER H H 1 7.913 0.001 . 1 . . . . 57 Ser HN . 17476 1 236 . 1 1 22 22 SER HA H 1 3.948 0.001 . 1 . . . . 57 Ser HA . 17476 1 237 . 1 1 22 22 SER HB2 H 1 4.047 0.001 . 2 . . . . 57 Ser HB2 . 17476 1 238 . 1 1 22 22 SER HB3 H 1 3.899 0.001 . 2 . . . . 57 Ser HB3 . 17476 1 239 . 1 1 22 22 SER HG H 1 6.502 0.001 . 1 . . . . 57 Ser HG . 17476 1 240 . 1 1 22 22 SER C C 13 174.200 0.010 . 1 . . . . 57 Ser CO . 17476 1 241 . 1 1 22 22 SER CA C 13 60.880 0.010 . 1 . . . . 57 Ser CA . 17476 1 242 . 1 1 22 22 SER CB C 13 63.280 0.010 . 1 . . . . 57 Ser CB . 17476 1 243 . 1 1 22 22 SER N N 15 115.050 0.010 . 1 . . . . 57 Ser N . 17476 1 244 . 1 1 23 23 LEU H H 1 7.162 0.001 . 1 . . . . 58 Leu HN . 17476 1 245 . 1 1 23 23 LEU HA H 1 4.372 0.001 . 1 . . . . 58 Leu HA . 17476 1 246 . 1 1 23 23 LEU HB2 H 1 1.632 0.001 . 1 . . . . 58 Leu HB2 . 17476 1 247 . 1 1 23 23 LEU HB3 H 1 1.744 0.001 . 1 . . . . 58 Leu HB3 . 17476 1 248 . 1 1 23 23 LEU HG H 1 1.810 0.001 . 1 . . . . 58 Leu HG . 17476 1 249 . 1 1 23 23 LEU HD11 H 1 0.836 0.001 . 2 . . . . 58 Leu HD1 . 17476 1 250 . 1 1 23 23 LEU HD12 H 1 0.836 0.001 . 2 . . . . 58 Leu HD1 . 17476 1 251 . 1 1 23 23 LEU HD13 H 1 0.836 0.001 . 2 . . . . 58 Leu HD1 . 17476 1 252 . 1 1 23 23 LEU HD21 H 1 0.785 0.001 . 2 . . . . 58 Leu HD2 . 17476 1 253 . 1 1 23 23 LEU HD22 H 1 0.785 0.001 . 2 . . . . 58 Leu HD2 . 17476 1 254 . 1 1 23 23 LEU HD23 H 1 0.785 0.001 . 2 . . . . 58 Leu HD2 . 17476 1 255 . 1 1 23 23 LEU C C 13 177.600 0.010 . 1 . . . . 58 Leu CO . 17476 1 256 . 1 1 23 23 LEU CA C 13 55.080 0.010 . 1 . . . . 58 Leu CA . 17476 1 257 . 1 1 23 23 LEU CB C 13 41.810 0.010 . 1 . . . . 58 Leu CB . 17476 1 258 . 1 1 23 23 LEU CD1 C 13 26.540 0.010 . 1 . . . . 58 Leu CD1 . 17476 1 259 . 1 1 23 23 LEU CD2 C 13 21.410 0.010 . 1 . . . . 58 Leu CD2 . 17476 1 260 . 1 1 23 23 LEU N N 15 121.310 0.010 . 1 . . . . 58 Leu N . 17476 1 261 . 1 1 24 24 GLY H H 1 7.301 0.001 . 1 . . . . 59 Gly HN . 17476 1 262 . 1 1 24 24 GLY HA2 H 1 3.794 0.001 . 2 . . . . 59 Gly HA2 . 17476 1 263 . 1 1 24 24 GLY HA3 H 1 4.390 0.001 . 2 . . . . 59 Gly HA3 . 17476 1 264 . 1 1 24 24 GLY C C 13 172.860 0.010 . 1 . . . . 59 Gly CO . 17476 1 265 . 1 1 24 24 GLY CA C 13 44.230 0.010 . 1 . . . . 59 Gly CA . 17476 1 266 . 1 1 24 24 GLY N N 15 107.420 0.010 . 1 . . . . 59 Gly N . 17476 1 267 . 1 1 25 25 THR H H 1 7.413 0.001 . 1 . . . . 60 Thr HN . 17476 1 268 . 1 1 25 25 THR HA H 1 3.822 0.001 . 1 . . . . 60 Thr HA . 17476 1 269 . 1 1 25 25 THR HB H 1 4.874 0.001 . 1 . . . . 60 Thr HB . 17476 1 270 . 1 1 25 25 THR HG21 H 1 0.911 0.001 . 1 . . . . 60 Thr HG2 . 17476 1 271 . 1 1 25 25 THR HG22 H 1 0.911 0.001 . 1 . . . . 60 Thr HG2 . 17476 1 272 . 1 1 25 25 THR HG23 H 1 0.911 0.001 . 1 . . . . 60 Thr HG2 . 17476 1 273 . 1 1 25 25 THR C C 13 174.760 0.010 . 1 . . . . 60 Thr CO . 17476 1 274 . 1 1 25 25 THR CA C 13 59.120 0.010 . 1 . . . . 60 Thr CA . 17476 1 275 . 1 1 25 25 THR CB C 13 73.560 0.010 . 1 . . . . 60 Thr CB . 17476 1 276 . 1 1 25 25 THR CG2 C 13 19.960 0.010 . 1 . . . . 60 Thr CG2 . 17476 1 277 . 1 1 25 25 THR N N 15 107.360 0.010 . 1 . . . . 60 Thr N . 17476 1 278 . 1 1 26 26 CYS H H 1 8.545 0.001 . 1 . . . . 61 Cys HN . 17476 1 279 . 1 1 26 26 CYS HA H 1 3.917 0.001 . 1 . . . . 61 Cys HA . 17476 1 280 . 1 1 26 26 CYS HB2 H 1 3.276 0.001 . 1 . . . . 61 Cys HB2 . 17476 1 281 . 1 1 26 26 CYS HB3 H 1 2.799 0.001 . 1 . . . . 61 Cys HB3 . 17476 1 282 . 1 1 26 26 CYS C C 13 177.490 0.010 . 1 . . . . 61 Cys CO . 17476 1 283 . 1 1 26 26 CYS CA C 13 59.940 0.010 . 1 . . . . 61 Cys CA . 17476 1 284 . 1 1 26 26 CYS CB C 13 30.950 0.010 . 1 . . . . 61 Cys CB . 17476 1 285 . 1 1 26 26 CYS N N 15 121.100 0.010 . 1 . . . . 61 Cys N . 17476 1 286 . 1 1 27 27 GLN H H 1 8.902 0.001 . 1 . . . . 62 Gln HN . 17476 1 287 . 1 1 27 27 GLN HA H 1 4.002 0.001 . 1 . . . . 62 Gln HA . 17476 1 288 . 1 1 27 27 GLN HB2 H 1 1.888 0.001 . 2 . . . . 62 Gln HB . 17476 1 289 . 1 1 27 27 GLN HB3 H 1 1.888 0.001 . 2 . . . . 62 Gln HB . 17476 1 290 . 1 1 27 27 GLN HG2 H 1 2.385 0.001 . 2 . . . . 62 Gln HG . 17476 1 291 . 1 1 27 27 GLN HG3 H 1 2.385 0.001 . 2 . . . . 62 Gln HG . 17476 1 292 . 1 1 27 27 GLN HE21 H 1 6.901 0.001 . 1 . . . . 62 Gln HE21 . 17476 1 293 . 1 1 27 27 GLN HE22 H 1 7.735 0.001 . 1 . . . . 62 Gln HE22 . 17476 1 294 . 1 1 27 27 GLN C C 13 176.530 0.010 . 1 . . . . 62 Gln CO . 17476 1 295 . 1 1 27 27 GLN CA C 13 58.680 0.010 . 1 . . . . 62 Gln CA . 17476 1 296 . 1 1 27 27 GLN CB C 13 28.810 0.010 . 1 . . . . 62 Gln CB . 17476 1 297 . 1 1 27 27 GLN N N 15 130.580 0.010 . 1 . . . . 62 Gln N . 17476 1 298 . 1 1 28 28 ASP H H 1 8.780 0.001 . 1 . . . . 63 Asp HN . 17476 1 299 . 1 1 28 28 ASP HA H 1 4.797 0.001 . 1 . . . . 63 Asp HA . 17476 1 300 . 1 1 28 28 ASP HB2 H 1 2.484 0.001 . 2 . . . . 63 Asp HB . 17476 1 301 . 1 1 28 28 ASP HB3 H 1 2.484 0.001 . 2 . . . . 63 Asp HB . 17476 1 302 . 1 1 28 28 ASP C C 13 176.240 0.010 . 1 . . . . 63 Asp CO . 17476 1 303 . 1 1 28 28 ASP CA C 13 56.600 0.010 . 1 . . . . 63 Asp CA . 17476 1 304 . 1 1 28 28 ASP CB C 13 42.270 0.010 . 1 . . . . 63 Asp CB . 17476 1 305 . 1 1 28 28 ASP N N 15 119.380 0.010 . 1 . . . . 63 Asp N . 17476 1 306 . 1 1 29 29 CYS H H 1 7.999 0.001 . 1 . . . . 64 Cys HN . 17476 1 307 . 1 1 29 29 CYS HA H 1 5.016 0.001 . 1 . . . . 64 Cys HA . 17476 1 308 . 1 1 29 29 CYS HB2 H 1 3.062 0.001 . 1 . . . . 64 Cys HB2 . 17476 1 309 . 1 1 29 29 CYS HB3 H 1 3.363 0.001 . 1 . . . . 64 Cys HB3 . 17476 1 310 . 1 1 29 29 CYS C C 13 175.340 0.010 . 1 . . . . 64 Cys CO . 17476 1 311 . 1 1 29 29 CYS CA C 13 59.170 0.010 . 1 . . . . 64 Cys CA . 17476 1 312 . 1 1 29 29 CYS CB C 13 31.480 0.010 . 1 . . . . 64 Cys CB . 17476 1 313 . 1 1 29 29 CYS N N 15 118.150 0.010 . 1 . . . . 64 Cys N . 17476 1 314 . 1 1 30 30 LYS H H 1 7.967 0.001 . 1 . . . . 65 Lys HN . 17476 1 315 . 1 1 30 30 LYS HA H 1 4.230 0.001 . 1 . . . . 65 Lys HA . 17476 1 316 . 1 1 30 30 LYS HB2 H 1 2.039 0.001 . 2 . . . . 65 Lys HB2 . 17476 1 317 . 1 1 30 30 LYS HB3 H 1 1.619 0.001 . 2 . . . . 65 Lys HB3 . 17476 1 318 . 1 1 30 30 LYS HG2 H 1 1.350 0.001 . 2 . . . . 65 Lys HG2 . 17476 1 319 . 1 1 30 30 LYS HG3 H 1 1.210 0.001 . 2 . . . . 65 Lys HG3 . 17476 1 320 . 1 1 30 30 LYS HD2 H 1 1.519 0.001 . 2 . . . . 65 Lys HD . 17476 1 321 . 1 1 30 30 LYS HD3 H 1 1.519 0.001 . 2 . . . . 65 Lys HD . 17476 1 322 . 1 1 30 30 LYS HE2 H 1 2.888 0.001 . 2 . . . . 65 Lys HE . 17476 1 323 . 1 1 30 30 LYS HE3 H 1 2.888 0.001 . 2 . . . . 65 Lys HE . 17476 1 324 . 1 1 30 30 LYS CA C 13 56.950 0.010 . 1 . . . . 65 Lys CA . 17476 1 325 . 1 1 30 30 LYS CB C 13 29.370 0.010 . 1 . . . . 65 Lys CB . 17476 1 326 . 1 1 30 30 LYS N N 15 115.930 0.010 . 1 . . . . 65 Lys N . 17476 1 327 . 1 1 31 31 VAL H H 1 7.731 0.001 . 1 . . . . 66 Val HN . 17476 1 328 . 1 1 31 31 VAL HA H 1 4.219 0.001 . 1 . . . . 66 Val HA . 17476 1 329 . 1 1 31 31 VAL HB H 1 2.292 0.001 . 1 . . . . 66 Val HB . 17476 1 330 . 1 1 31 31 VAL HG11 H 1 1.029 0.001 . 2 . . . . 66 Val HG1 . 17476 1 331 . 1 1 31 31 VAL HG12 H 1 1.029 0.001 . 2 . . . . 66 Val HG1 . 17476 1 332 . 1 1 31 31 VAL HG13 H 1 1.029 0.001 . 2 . . . . 66 Val HG1 . 17476 1 333 . 1 1 31 31 VAL HG21 H 1 1.135 0.001 . 2 . . . . 66 Val HG2 . 17476 1 334 . 1 1 31 31 VAL HG22 H 1 1.135 0.001 . 2 . . . . 66 Val HG2 . 17476 1 335 . 1 1 31 31 VAL HG23 H 1 1.135 0.001 . 2 . . . . 66 Val HG2 . 17476 1 336 . 1 1 31 31 VAL C C 13 175.000 0.010 . 1 . . . . 66 Val CO . 17476 1 337 . 1 1 31 31 VAL CA C 13 62.950 0.010 . 1 . . . . 66 Val CA . 17476 1 338 . 1 1 31 31 VAL CB C 13 32.580 0.010 . 1 . . . . 66 Val CB . 17476 1 339 . 1 1 31 31 VAL CG1 C 13 21.220 0.010 . 1 . . . . 66 Val CG1 . 17476 1 340 . 1 1 31 31 VAL CG2 C 13 21.020 0.010 . 1 . . . . 66 Val CG2 . 17476 1 341 . 1 1 32 32 GLN H H 1 8.072 0.001 . 1 . . . . 67 Gln HN . 17476 1 342 . 1 1 32 32 GLN HA H 1 4.483 0.001 . 1 . . . . 67 Gln HA . 17476 1 343 . 1 1 32 32 GLN HB2 H 1 2.273 0.001 . 2 . . . . 67 Gln HB2 . 17476 1 344 . 1 1 32 32 GLN HB3 H 1 2.049 0.001 . 2 . . . . 67 Gln HB3 . 17476 1 345 . 1 1 32 32 GLN HG2 H 1 2.544 0.001 . 2 . . . . 67 Gln HG2 . 17476 1 346 . 1 1 32 32 GLN HG3 H 1 2.415 0.001 . 2 . . . . 67 Gln HG3 . 17476 1 347 . 1 1 32 32 GLN HE21 H 1 6.815 0.001 . 1 . . . . 67 Gln HE21 . 17476 1 348 . 1 1 32 32 GLN HE22 H 1 7.562 0.001 . 1 . . . . 67 Gln HE22 . 17476 1 349 . 1 1 32 32 GLN C C 13 176.110 0.010 . 1 . . . . 67 Gln CO . 17476 1 350 . 1 1 32 32 GLN CA C 13 55.400 0.010 . 1 . . . . 67 Gln CA . 17476 1 351 . 1 1 32 32 GLN CB C 13 31.060 0.010 . 1 . . . . 67 Gln CB . 17476 1 352 . 1 1 32 32 GLN N N 15 121.100 0.010 . 1 . . . . 67 Gln N . 17476 1 353 . 1 1 33 33 GLY H H 1 8.301 0.001 . 1 . . . . 68 Gly HN . 17476 1 354 . 1 1 33 33 GLY HA2 H 1 3.909 0.001 . 2 . . . . 68 Gly HA2 . 17476 1 355 . 1 1 33 33 GLY HA3 H 1 3.789 0.001 . 2 . . . . 68 Gly HA3 . 17476 1 356 . 1 1 33 33 GLY C C 13 171.980 0.010 . 1 . . . . 68 Gly CO . 17476 1 357 . 1 1 33 33 GLY CA C 13 44.530 0.010 . 1 . . . . 68 Gly CA . 17476 1 358 . 1 1 33 33 GLY N N 15 104.480 0.010 . 1 . . . . 68 Gly N . 17476 1 359 . 1 1 34 34 PRO HA H 1 4.426 0.001 . 1 . . . . 69 Pro HA . 17476 1 360 . 1 1 34 34 PRO HB2 H 1 2.121 0.001 . 2 . . . . 69 Pro HB2 . 17476 1 361 . 1 1 34 34 PRO HB3 H 1 2.319 0.001 . 2 . . . . 69 Pro HB3 . 17476 1 362 . 1 1 34 34 PRO HG2 H 1 1.659 0.001 . 2 . . . . 69 Pro HG2 . 17476 1 363 . 1 1 34 34 PRO HG3 H 1 1.891 0.001 . 2 . . . . 69 Pro HG3 . 17476 1 364 . 1 1 34 34 PRO HD2 H 1 3.427 0.001 . 2 . . . . 69 Pro HD2 . 17476 1 365 . 1 1 34 34 PRO HD3 H 1 3.485 0.001 . 2 . . . . 69 Pro HD3 . 17476 1 366 . 1 1 35 35 ASN H H 1 8.812 0.001 . 1 . . . . 70 Asn HN . 17476 1 367 . 1 1 35 35 ASN HA H 1 4.123 0.001 . 1 . . . . 70 Asn HA . 17476 1 368 . 1 1 35 35 ASN HB2 H 1 3.090 0.001 . 2 . . . . 70 Asn HB2 . 17476 1 369 . 1 1 35 35 ASN HB3 H 1 2.973 0.001 . 2 . . . . 70 Asn HB3 . 17476 1 370 . 1 1 35 35 ASN HD21 H 1 6.811 0.001 . 1 . . . . 70 Asn HD21 . 17476 1 371 . 1 1 35 35 ASN HD22 H 1 7.668 0.001 . 1 . . . . 70 Asn HD22 . 17476 1 372 . 1 1 35 35 ASN C C 13 175.730 0.010 . 1 . . . . 70 Asn CO . 17476 1 373 . 1 1 35 35 ASN CA C 13 55.180 0.010 . 1 . . . . 70 Asn CA . 17476 1 374 . 1 1 35 35 ASN CB C 13 36.970 0.010 . 1 . . . . 70 Asn CB . 17476 1 375 . 1 1 36 36 LEU H H 1 8.157 0.001 . 1 . . . . 71 Leu HN . 17476 1 376 . 1 1 36 36 LEU HA H 1 4.629 0.001 . 1 . . . . 71 Leu HA . 17476 1 377 . 1 1 36 36 LEU HB2 H 1 0.959 0.001 . 1 . . . . 71 Leu HB2 . 17476 1 378 . 1 1 36 36 LEU HB3 H 1 1.525 0.001 . 1 . . . . 71 Leu HB3 . 17476 1 379 . 1 1 36 36 LEU HG H 1 1.207 0.001 . 1 . . . . 71 Leu HG . 17476 1 380 . 1 1 36 36 LEU HD11 H 1 0.503 0.001 . 2 . . . . 71 Leu HD1 . 17476 1 381 . 1 1 36 36 LEU HD12 H 1 0.503 0.001 . 2 . . . . 71 Leu HD1 . 17476 1 382 . 1 1 36 36 LEU HD13 H 1 0.503 0.001 . 2 . . . . 71 Leu HD1 . 17476 1 383 . 1 1 36 36 LEU HD21 H 1 0.514 0.001 . 2 . . . . 71 Leu HD2 . 17476 1 384 . 1 1 36 36 LEU HD22 H 1 0.514 0.001 . 2 . . . . 71 Leu HD2 . 17476 1 385 . 1 1 36 36 LEU HD23 H 1 0.514 0.001 . 2 . . . . 71 Leu HD2 . 17476 1 386 . 1 1 36 36 LEU C C 13 175.420 0.010 . 1 . . . . 71 Leu CO . 17476 1 387 . 1 1 36 36 LEU CA C 13 54.670 0.010 . 1 . . . . 71 Leu CA . 17476 1 388 . 1 1 36 36 LEU CB C 13 44.220 0.010 . 1 . . . . 71 Leu CB . 17476 1 389 . 1 1 36 36 LEU CD1 C 13 24.830 0.010 . 1 . . . . 71 Leu CD1 . 17476 1 390 . 1 1 36 36 LEU CD2 C 13 21.000 0.010 . 1 . . . . 71 Leu CD2 . 17476 1 391 . 1 1 36 36 LEU N N 15 116.930 0.010 . 1 . . . . 71 Leu N . 17476 1 392 . 1 1 37 37 TRP H H 1 9.110 0.001 . 1 . . . . 72 Trp HN . 17476 1 393 . 1 1 37 37 TRP HA H 1 5.261 0.001 . 1 . . . . 72 Trp HA . 17476 1 394 . 1 1 37 37 TRP HB2 H 1 3.577 0.001 . 1 . . . . 72 Trp HB2 . 17476 1 395 . 1 1 37 37 TRP HB3 H 1 2.921 0.001 . 1 . . . . 72 Trp HB3 . 17476 1 396 . 1 1 37 37 TRP HD1 H 1 7.094 0.001 . 1 . . . . 72 Trp HD1 . 17476 1 397 . 1 1 37 37 TRP HE1 H 1 10.016 0.001 . 1 . . . . 72 Trp HE1 . 17476 1 398 . 1 1 37 37 TRP HE3 H 1 7.655 0.001 . 1 . . . . 72 Trp HE3 . 17476 1 399 . 1 1 37 37 TRP HZ2 H 1 7.293 0.001 . 1 . . . . 72 Trp HZ2 . 17476 1 400 . 1 1 37 37 TRP HZ3 H 1 6.993 0.001 . 1 . . . . 72 Trp HZ3 . 17476 1 401 . 1 1 37 37 TRP HH2 H 1 6.908 0.001 . 1 . . . . 72 Trp HH2 . 17476 1 402 . 1 1 37 37 TRP C C 13 175.860 0.010 . 1 . . . . 72 Trp CO . 17476 1 403 . 1 1 37 37 TRP CA C 13 55.840 0.010 . 1 . . . . 72 Trp CA . 17476 1 404 . 1 1 37 37 TRP CB C 13 29.730 0.010 . 1 . . . . 72 Trp CB . 17476 1 405 . 1 1 37 37 TRP N N 15 119.900 0.010 . 1 . . . . 72 Trp N . 17476 1 406 . 1 1 38 38 ALA H H 1 9.523 0.001 . 1 . . . . 73 Ala HN . 17476 1 407 . 1 1 38 38 ALA HA H 1 5.128 0.001 . 1 . . . . 73 Ala HA . 17476 1 408 . 1 1 38 38 ALA HB1 H 1 1.363 0.001 . 1 . . . . 73 Ala HB . 17476 1 409 . 1 1 38 38 ALA HB2 H 1 1.363 0.001 . 1 . . . . 73 Ala HB . 17476 1 410 . 1 1 38 38 ALA HB3 H 1 1.363 0.001 . 1 . . . . 73 Ala HB . 17476 1 411 . 1 1 38 38 ALA C C 13 175.350 0.010 . 1 . . . . 73 Ala CO . 17476 1 412 . 1 1 38 38 ALA CA C 13 49.800 0.010 . 1 . . . . 73 Ala CA . 17476 1 413 . 1 1 38 38 ALA CB C 13 21.100 0.010 . 1 . . . . 73 Ala CB . 17476 1 414 . 1 1 38 38 ALA N N 15 126.190 0.010 . 1 . . . . 73 Ala N . 17476 1 415 . 1 1 39 39 CYS H H 1 8.323 0.001 . 1 . . . . 74 Cys HN . 17476 1 416 . 1 1 39 39 CYS HA H 1 4.504 0.001 . 1 . . . . 74 Cys HA . 17476 1 417 . 1 1 39 39 CYS HB2 H 1 3.196 0.001 . 1 . . . . 74 Cys HB2 . 17476 1 418 . 1 1 39 39 CYS HB3 H 1 3.032 0.001 . 1 . . . . 74 Cys HB3 . 17476 1 419 . 1 1 39 39 CYS C C 13 176.910 0.010 . 1 . . . . 74 Cys CO . 17476 1 420 . 1 1 39 39 CYS CA C 13 61.420 0.010 . 1 . . . . 74 Cys CA . 17476 1 421 . 1 1 39 39 CYS CB C 13 31.320 0.010 . 1 . . . . 74 Cys CB . 17476 1 422 . 1 1 39 39 CYS N N 15 126.160 0.010 . 1 . . . . 74 Cys N . 17476 1 423 . 1 1 40 40 LEU H H 1 8.825 0.001 . 1 . . . . 75 Leu HN . 17476 1 424 . 1 1 40 40 LEU HA H 1 4.531 0.001 . 1 . . . . 75 Leu HA . 17476 1 425 . 1 1 40 40 LEU HB2 H 1 1.515 0.001 . 1 . . . . 75 Leu HB2 . 17476 1 426 . 1 1 40 40 LEU HB3 H 1 1.790 0.001 . 1 . . . . 75 Leu HB3 . 17476 1 427 . 1 1 40 40 LEU HG H 1 1.794 0.001 . 1 . . . . 75 Leu HG . 17476 1 428 . 1 1 40 40 LEU HD11 H 1 0.814 0.001 . 2 . . . . 75 Leu HD1 . 17476 1 429 . 1 1 40 40 LEU HD12 H 1 0.814 0.001 . 2 . . . . 75 Leu HD1 . 17476 1 430 . 1 1 40 40 LEU HD13 H 1 0.814 0.001 . 2 . . . . 75 Leu HD1 . 17476 1 431 . 1 1 40 40 LEU HD21 H 1 0.821 0.001 . 2 . . . . 75 Leu HD2 . 17476 1 432 . 1 1 40 40 LEU HD22 H 1 0.821 0.001 . 2 . . . . 75 Leu HD2 . 17476 1 433 . 1 1 40 40 LEU HD23 H 1 0.821 0.001 . 2 . . . . 75 Leu HD2 . 17476 1 434 . 1 1 40 40 LEU C C 13 176.410 0.010 . 1 . . . . 75 Leu CO . 17476 1 435 . 1 1 40 40 LEU CA C 13 54.370 0.010 . 1 . . . . 75 Leu CA . 17476 1 436 . 1 1 40 40 LEU CB C 13 43.460 0.010 . 1 . . . . 75 Leu CB . 17476 1 437 . 1 1 40 40 LEU CD2 C 13 22.450 0.010 . 1 . . . . 75 Leu CD2 . 17476 1 438 . 1 1 40 40 LEU N N 15 127.390 0.010 . 1 . . . . 75 Leu N . 17476 1 439 . 1 1 41 41 GLU H H 1 8.869 0.001 . 1 . . . . 76 Glu HN . 17476 1 440 . 1 1 41 41 GLU HA H 1 3.714 0.001 . 1 . . . . 76 Glu HA . 17476 1 441 . 1 1 41 41 GLU HB2 H 1 1.159 0.001 . 2 . . . . 76 Glu HB2 . 17476 1 442 . 1 1 41 41 GLU HB3 H 1 1.528 0.001 . 2 . . . . 76 Glu HB3 . 17476 1 443 . 1 1 41 41 GLU HG2 H 1 2.034 0.001 . 2 . . . . 76 Glu HG2 . 17476 1 444 . 1 1 41 41 GLU HG3 H 1 0.698 0.001 . 2 . . . . 76 Glu HG3 . 17476 1 445 . 1 1 41 41 GLU C C 13 177.200 0.010 . 1 . . . . 76 Glu CO . 17476 1 446 . 1 1 41 41 GLU CA C 13 57.820 0.010 . 1 . . . . 76 Glu CA . 17476 1 447 . 1 1 41 41 GLU CB C 13 29.080 0.010 . 1 . . . . 76 Glu CB . 17476 1 448 . 1 1 41 41 GLU N N 15 125.330 0.010 . 1 . . . . 76 Glu N . 17476 1 449 . 1 1 42 42 ASN H H 1 8.480 0.001 . 1 . . . . 77 Asn HN . 17476 1 450 . 1 1 42 42 ASN HA H 1 4.363 0.001 . 1 . . . . 77 Asn HA . 17476 1 451 . 1 1 42 42 ASN HB2 H 1 2.691 0.001 . 1 . . . . 77 Asn HB2 . 17476 1 452 . 1 1 42 42 ASN HB3 H 1 2.608 0.001 . 1 . . . . 77 Asn HB3 . 17476 1 453 . 1 1 42 42 ASN HD21 H 1 6.923 0.001 . 1 . . . . 77 Asn HD21 . 17476 1 454 . 1 1 42 42 ASN HD22 H 1 7.679 0.001 . 1 . . . . 77 Asn HD22 . 17476 1 455 . 1 1 42 42 ASN C C 13 175.880 0.010 . 1 . . . . 77 Asn CO . 17476 1 456 . 1 1 42 42 ASN CA C 13 55.800 0.010 . 1 . . . . 77 Asn CA . 17476 1 457 . 1 1 42 42 ASN CB C 13 38.420 0.010 . 1 . . . . 77 Asn CB . 17476 1 458 . 1 1 42 42 ASN N N 15 126.570 0.010 . 1 . . . . 77 Asn N . 17476 1 459 . 1 1 43 43 ARG H H 1 8.814 0.001 . 1 . . . . 78 Arg HN . 17476 1 460 . 1 1 43 43 ARG HA H 1 3.786 0.001 . 1 . . . . 78 Arg HA . 17476 1 461 . 1 1 43 43 ARG HB2 H 1 1.523 0.001 . 2 . . . . 78 Arg HB2 . 17476 1 462 . 1 1 43 43 ARG HB3 H 1 2.038 0.001 . 2 . . . . 78 Arg HB3 . 17476 1 463 . 1 1 43 43 ARG HG2 H 1 1.528 0.001 . 2 . . . . 78 Arg HG2 . 17476 1 464 . 1 1 43 43 ARG HG3 H 1 2.140 0.001 . 2 . . . . 78 Arg HG3 . 17476 1 465 . 1 1 43 43 ARG HD2 H 1 3.146 0.001 . 2 . . . . 78 Arg HD2 . 17476 1 466 . 1 1 43 43 ARG HD3 H 1 3.193 0.001 . 2 . . . . 78 Arg HD3 . 17476 1 467 . 1 1 43 43 ARG HE H 1 6.922 0.001 . 1 . . . . 78 Arg HE . 17476 1 468 . 1 1 43 43 ARG C C 13 174.550 0.010 . 1 . . . . 78 Arg CO . 17476 1 469 . 1 1 43 43 ARG CA C 13 58.400 0.010 . 1 . . . . 78 Arg CA . 17476 1 470 . 1 1 43 43 ARG CB C 13 27.680 0.010 . 1 . . . . 78 Arg CB . 17476 1 471 . 1 1 43 43 ARG N N 15 117.890 0.010 . 1 . . . . 78 Arg N . 17476 1 472 . 1 1 44 44 CYS H H 1 8.304 0.001 . 1 . . . . 79 Cys HN . 17476 1 473 . 1 1 44 44 CYS HA H 1 4.581 0.001 . 1 . . . . 79 Cys HA . 17476 1 474 . 1 1 44 44 CYS HB2 H 1 3.146 0.001 . 1 . . . . 79 Cys HB2 . 17476 1 475 . 1 1 44 44 CYS HB3 H 1 2.490 0.001 . 1 . . . . 79 Cys HB3 . 17476 1 476 . 1 1 44 44 CYS C C 13 175.090 0.010 . 1 . . . . 79 Cys CO . 17476 1 477 . 1 1 44 44 CYS CA C 13 59.960 0.010 . 1 . . . . 79 Cys CA . 17476 1 478 . 1 1 44 44 CYS CB C 13 31.870 0.010 . 1 . . . . 79 Cys CB . 17476 1 479 . 1 1 44 44 CYS N N 15 124.410 0.010 . 1 . . . . 79 Cys N . 17476 1 480 . 1 1 45 45 SER H H 1 8.678 0.001 . 1 . . . . 80 Ser HN . 17476 1 481 . 1 1 45 45 SER HA H 1 4.811 0.001 . 1 . . . . 80 Ser HA . 17476 1 482 . 1 1 45 45 SER HB2 H 1 3.879 0.001 . 2 . . . . 80 Ser HB2 . 17476 1 483 . 1 1 45 45 SER HB3 H 1 3.996 0.001 . 2 . . . . 80 Ser HB3 . 17476 1 484 . 1 1 45 45 SER C C 13 174.530 0.010 . 1 . . . . 80 Ser CO . 17476 1 485 . 1 1 45 45 SER CA C 13 57.490 0.010 . 1 . . . . 80 Ser CA . 17476 1 486 . 1 1 45 45 SER CB C 13 64.150 0.010 . 1 . . . . 80 Ser CB . 17476 1 487 . 1 1 45 45 SER N N 15 120.600 0.010 . 1 . . . . 80 Ser N . 17476 1 488 . 1 1 46 46 TYR H H 1 9.018 0.001 . 1 . . . . 81 Tyr HN . 17476 1 489 . 1 1 46 46 TYR HA H 1 3.956 0.001 . 1 . . . . 81 Tyr HA . 17476 1 490 . 1 1 46 46 TYR HB2 H 1 2.647 0.001 . 2 . . . . 81 Tyr HB2 . 17476 1 491 . 1 1 46 46 TYR HB3 H 1 2.162 0.001 . 2 . . . . 81 Tyr HB3 . 17476 1 492 . 1 1 46 46 TYR C C 13 175.290 0.010 . 1 . . . . 81 Tyr CO . 17476 1 493 . 1 1 46 46 TYR CA C 13 62.330 0.010 . 1 . . . . 81 Tyr CA . 17476 1 494 . 1 1 46 46 TYR CB C 13 40.100 0.010 . 1 . . . . 81 Tyr CB . 17476 1 495 . 1 1 46 46 TYR N N 15 126.120 0.010 . 1 . . . . 81 Tyr N . 17476 1 496 . 1 1 47 47 VAL H H 1 5.796 0.001 . 1 . . . . 82 Val HN . 17476 1 497 . 1 1 47 47 VAL HA H 1 4.654 0.001 . 1 . . . . 82 Val HA . 17476 1 498 . 1 1 47 47 VAL HB H 1 1.731 0.001 . 1 . . . . 82 Val HB . 17476 1 499 . 1 1 47 47 VAL HG11 H 1 0.573 0.001 . 2 . . . . 82 Val HG1 . 17476 1 500 . 1 1 47 47 VAL HG12 H 1 0.573 0.001 . 2 . . . . 82 Val HG1 . 17476 1 501 . 1 1 47 47 VAL HG13 H 1 0.573 0.001 . 2 . . . . 82 Val HG1 . 17476 1 502 . 1 1 47 47 VAL HG21 H 1 0.869 0.001 . 2 . . . . 82 Val HG2 . 17476 1 503 . 1 1 47 47 VAL HG22 H 1 0.869 0.001 . 2 . . . . 82 Val HG2 . 17476 1 504 . 1 1 47 47 VAL HG23 H 1 0.869 0.001 . 2 . . . . 82 Val HG2 . 17476 1 505 . 1 1 47 47 VAL C C 13 173.130 0.010 . 1 . . . . 82 Val CO . 17476 1 506 . 1 1 47 47 VAL CA C 13 61.240 0.010 . 1 . . . . 82 Val CA . 17476 1 507 . 1 1 47 47 VAL CB C 13 35.260 0.010 . 1 . . . . 82 Val CB . 17476 1 508 . 1 1 47 47 VAL CG1 C 13 21.790 0.010 . 1 . . . . 82 Val CG1 . 17476 1 509 . 1 1 47 47 VAL CG2 C 13 21.110 0.010 . 1 . . . . 82 Val CG2 . 17476 1 510 . 1 1 47 47 VAL N N 15 130.330 0.010 . 1 . . . . 82 Val N . 17476 1 511 . 1 1 48 48 GLY H H 1 9.080 0.001 . 1 . . . . 83 Gly HN . 17476 1 512 . 1 1 48 48 GLY HA2 H 1 6.071 0.001 . 2 . . . . 83 Gly HA2 . 17476 1 513 . 1 1 48 48 GLY HA3 H 1 3.781 0.001 . 2 . . . . 83 Gly HA3 . 17476 1 514 . 1 1 48 48 GLY C C 13 172.610 0.010 . 1 . . . . 83 Gly CO . 17476 1 515 . 1 1 48 48 GLY CA C 13 44.760 0.010 . 1 . . . . 83 Gly CA . 17476 1 516 . 1 1 48 48 GLY N N 15 112.010 0.010 . 1 . . . . 83 Gly N . 17476 1 517 . 1 1 49 49 CYS H H 1 9.178 0.001 . 1 . . . . 84 Cys HN . 17476 1 518 . 1 1 49 49 CYS HA H 1 5.031 0.001 . 1 . . . . 84 Cys HA . 17476 1 519 . 1 1 49 49 CYS HB2 H 1 2.896 0.001 . 1 . . . . 84 Cys HB2 . 17476 1 520 . 1 1 49 49 CYS HB3 H 1 3.241 0.001 . 1 . . . . 84 Cys HB3 . 17476 1 521 . 1 1 49 49 CYS C C 13 174.860 0.010 . 1 . . . . 84 Cys CO . 17476 1 522 . 1 1 49 49 CYS CA C 13 57.650 0.010 . 1 . . . . 84 Cys CA . 17476 1 523 . 1 1 49 49 CYS CB C 13 31.750 0.010 . 1 . . . . 84 Cys CB . 17476 1 524 . 1 1 49 49 CYS N N 15 117.990 0.010 . 1 . . . . 84 Cys N . 17476 1 525 . 1 1 50 50 GLY H H 1 8.761 0.001 . 1 . . . . 85 Gly HN . 17476 1 526 . 1 1 50 50 GLY HA2 H 1 3.956 0.001 . 2 . . . . 85 Gly HA2 . 17476 1 527 . 1 1 50 50 GLY HA3 H 1 4.903 0.001 . 2 . . . . 85 Gly HA3 . 17476 1 528 . 1 1 50 50 GLY C C 13 176.600 0.010 . 1 . . . . 85 Gly CO . 17476 1 529 . 1 1 50 50 GLY CA C 13 44.400 0.010 . 1 . . . . 85 Gly CA . 17476 1 530 . 1 1 50 50 GLY N N 15 106.200 0.010 . 1 . . . . 85 Gly N . 17476 1 531 . 1 1 51 51 GLU H H 1 8.684 0.001 . 1 . . . . 86 Glu HN . 17476 1 532 . 1 1 51 51 GLU HA H 1 3.781 0.001 . 1 . . . . 86 Glu HA . 17476 1 533 . 1 1 51 51 GLU HB2 H 1 1.913 0.001 . 2 . . . . 86 Glu HB2 . 17476 1 534 . 1 1 51 51 GLU HB3 H 1 2.004 0.001 . 2 . . . . 86 Glu HB3 . 17476 1 535 . 1 1 51 51 GLU HG2 H 1 2.172 0.001 . 2 . . . . 86 Glu HG . 17476 1 536 . 1 1 51 51 GLU HG3 H 1 2.172 0.001 . 2 . . . . 86 Glu HG . 17476 1 537 . 1 1 51 51 GLU C C 13 176.480 0.010 . 1 . . . . 86 Glu CO . 17476 1 538 . 1 1 51 51 GLU CA C 13 58.800 0.010 . 1 . . . . 86 Glu CA . 17476 1 539 . 1 1 51 51 GLU CB C 13 29.450 0.010 . 1 . . . . 86 Glu CB . 17476 1 540 . 1 1 51 51 GLU N N 15 120.670 0.010 . 1 . . . . 86 Glu N . 17476 1 541 . 1 1 52 52 SER H H 1 8.384 0.001 . 1 . . . . 87 Ser HN . 17476 1 542 . 1 1 52 52 SER HA H 1 4.398 0.001 . 1 . . . . 87 Ser HA . 17476 1 543 . 1 1 52 52 SER HB2 H 1 3.925 0.001 . 2 . . . . 87 Ser HB2 . 17476 1 544 . 1 1 52 52 SER HB3 H 1 4.054 0.001 . 2 . . . . 87 Ser HB3 . 17476 1 545 . 1 1 52 52 SER C C 13 174.380 0.010 . 1 . . . . 87 Ser CO . 17476 1 546 . 1 1 52 52 SER CA C 13 59.810 0.010 . 1 . . . . 87 Ser CA . 17476 1 547 . 1 1 52 52 SER CB C 13 63.000 0.010 . 1 . . . . 87 Ser CB . 17476 1 548 . 1 1 52 52 SER N N 15 113.910 0.010 . 1 . . . . 87 Ser N . 17476 1 549 . 1 1 53 53 GLN H H 1 7.824 0.001 . 1 . . . . 88 Gln HN . 17476 1 550 . 1 1 53 53 GLN HA H 1 4.692 0.001 . 1 . . . . 88 Gln HA . 17476 1 551 . 1 1 53 53 GLN HB2 H 1 2.430 0.001 . 1 . . . . 88 Gln HB2 . 17476 1 552 . 1 1 53 53 GLN HB3 H 1 2.167 0.001 . 1 . . . . 88 Gln HB3 . 17476 1 553 . 1 1 53 53 GLN HG2 H 1 2.491 0.001 . 2 . . . . 88 Gln HG . 17476 1 554 . 1 1 53 53 GLN HG3 H 1 2.491 0.001 . 2 . . . . 88 Gln HG . 17476 1 555 . 1 1 53 53 GLN HE21 H 1 6.848 0.001 . 1 . . . . 88 Gln HE21 . 17476 1 556 . 1 1 53 53 GLN HE22 H 1 7.525 0.001 . 1 . . . . 88 Gln HE22 . 17476 1 557 . 1 1 53 53 GLN C C 13 174.610 0.010 . 1 . . . . 88 Gln CO . 17476 1 558 . 1 1 53 53 GLN CA C 13 54.810 0.010 . 1 . . . . 88 Gln CA . 17476 1 559 . 1 1 53 53 GLN CB C 13 27.570 0.010 . 1 . . . . 88 Gln CB . 17476 1 560 . 1 1 53 53 GLN N N 15 123.100 0.010 . 1 . . . . 88 Gln N . 17476 1 561 . 1 1 54 54 VAL H H 1 7.974 0.001 . 1 . . . . 89 Val HN . 17476 1 562 . 1 1 54 54 VAL HA H 1 4.111 0.001 . 1 . . . . 89 Val HA . 17476 1 563 . 1 1 54 54 VAL HB H 1 1.483 0.001 . 1 . . . . 89 Val HB . 17476 1 564 . 1 1 54 54 VAL HG11 H 1 0.660 0.001 . 2 . . . . 89 Val HG1 . 17476 1 565 . 1 1 54 54 VAL HG12 H 1 0.660 0.001 . 2 . . . . 89 Val HG1 . 17476 1 566 . 1 1 54 54 VAL HG13 H 1 0.660 0.001 . 2 . . . . 89 Val HG1 . 17476 1 567 . 1 1 54 54 VAL HG21 H 1 0.663 0.001 . 2 . . . . 89 Val HG2 . 17476 1 568 . 1 1 54 54 VAL HG22 H 1 0.663 0.001 . 2 . . . . 89 Val HG2 . 17476 1 569 . 1 1 54 54 VAL HG23 H 1 0.663 0.001 . 2 . . . . 89 Val HG2 . 17476 1 570 . 1 1 54 54 VAL C C 13 174.160 0.010 . 1 . . . . 89 Val CO . 17476 1 571 . 1 1 54 54 VAL CA C 13 61.410 0.010 . 1 . . . . 89 Val CA . 17476 1 572 . 1 1 54 54 VAL CB C 13 32.290 0.010 . 1 . . . . 89 Val CB . 17476 1 573 . 1 1 54 54 VAL CG1 C 13 21.360 0.010 . 1 . . . . 89 Val CG1 . 17476 1 574 . 1 1 54 54 VAL CG2 C 13 21.050 0.010 . 1 . . . . 89 Val CG2 . 17476 1 575 . 1 1 54 54 VAL N N 15 120.330 0.010 . 1 . . . . 89 Val N . 17476 1 576 . 1 1 55 55 ASP H H 1 7.933 0.001 . 1 . . . . 90 Asp HN . 17476 1 577 . 1 1 55 55 ASP HA H 1 4.183 0.001 . 1 . . . . 90 Asp HA . 17476 1 578 . 1 1 55 55 ASP HB2 H 1 1.874 0.001 . 2 . . . . 90 Asp HB2 . 17476 1 579 . 1 1 55 55 ASP HB3 H 1 3.256 0.001 . 2 . . . . 90 Asp HB3 . 17476 1 580 . 1 1 55 55 ASP C C 13 176.500 0.010 . 1 . . . . 90 Asp CO . 17476 1 581 . 1 1 55 55 ASP CA C 13 53.540 0.010 . 1 . . . . 90 Asp CA . 17476 1 582 . 1 1 55 55 ASP CB C 13 38.950 0.010 . 1 . . . . 90 Asp CB . 17476 1 583 . 1 1 55 55 ASP N N 15 121.130 0.010 . 1 . . . . 90 Asp N . 17476 1 584 . 1 1 56 56 HIS H H 1 8.604 0.001 . 1 . . . . 91 His HN . 17476 1 585 . 1 1 56 56 HIS HA H 1 4.277 0.001 . 1 . . . . 91 His HA . 17476 1 586 . 1 1 56 56 HIS HB2 H 1 4.082 0.001 . 1 . . . . 91 His HB2 . 17476 1 587 . 1 1 56 56 HIS HB3 H 1 3.686 0.001 . 1 . . . . 91 His HB3 . 17476 1 588 . 1 1 56 56 HIS HD2 H 1 7.115 0.001 . 1 . . . . 91 His HD2 . 17476 1 589 . 1 1 56 56 HIS HE1 H 1 7.775 0.001 . 1 . . . . 91 His HE1 . 17476 1 590 . 1 1 56 56 HIS C C 13 178.390 0.010 . 1 . . . . 91 His CO . 17476 1 591 . 1 1 56 56 HIS CA C 13 63.210 0.010 . 1 . . . . 91 His CA . 17476 1 592 . 1 1 56 56 HIS CB C 13 29.300 0.010 . 1 . . . . 91 His CB . 17476 1 593 . 1 1 56 56 HIS N N 15 119.620 0.010 . 1 . . . . 91 His N . 17476 1 594 . 1 1 57 57 SER H H 1 9.472 0.001 . 1 . . . . 92 Ser HN . 17476 1 595 . 1 1 57 57 SER HA H 1 4.344 0.001 . 1 . . . . 92 Ser HA . 17476 1 596 . 1 1 57 57 SER HB2 H 1 3.807 0.001 . 2 . . . . 92 Ser HB2 . 17476 1 597 . 1 1 57 57 SER HB3 H 1 4.719 0.001 . 2 . . . . 92 Ser HB3 . 17476 1 598 . 1 1 57 57 SER C C 13 177.330 0.010 . 1 . . . . 92 Ser CO . 17476 1 599 . 1 1 57 57 SER CA C 13 62.750 0.010 . 1 . . . . 92 Ser CA . 17476 1 600 . 1 1 57 57 SER CB C 13 63.410 0.010 . 1 . . . . 92 Ser CB . 17476 1 601 . 1 1 57 57 SER N N 15 114.450 0.010 . 1 . . . . 92 Ser N . 17476 1 602 . 1 1 58 58 THR H H 1 7.382 0.001 . 1 . . . . 93 Thr HN . 17476 1 603 . 1 1 58 58 THR HA H 1 3.835 0.001 . 1 . . . . 93 Thr HA . 17476 1 604 . 1 1 58 58 THR HB H 1 3.351 0.001 . 1 . . . . 93 Thr HB . 17476 1 605 . 1 1 58 58 THR HG21 H 1 0.968 0.001 . 1 . . . . 93 Thr HG2 . 17476 1 606 . 1 1 58 58 THR HG22 H 1 0.968 0.001 . 1 . . . . 93 Thr HG2 . 17476 1 607 . 1 1 58 58 THR HG23 H 1 0.968 0.001 . 1 . . . . 93 Thr HG2 . 17476 1 608 . 1 1 58 58 THR C C 13 176.340 0.010 . 1 . . . . 93 Thr CO . 17476 1 609 . 1 1 58 58 THR CA C 13 66.540 0.010 . 1 . . . . 93 Thr CA . 17476 1 610 . 1 1 58 58 THR CB C 13 67.460 0.010 . 1 . . . . 93 Thr CB . 17476 1 611 . 1 1 58 58 THR CG2 C 13 21.230 0.010 . 1 . . . . 93 Thr CG2 . 17476 1 612 . 1 1 58 58 THR N N 15 121.860 0.010 . 1 . . . . 93 Thr N . 17476 1 613 . 1 1 59 59 ILE H H 1 7.383 0.001 . 1 . . . . 94 Ile HN . 17476 1 614 . 1 1 59 59 ILE HA H 1 3.508 0.001 . 1 . . . . 94 Ile HA . 17476 1 615 . 1 1 59 59 ILE HB H 1 1.850 0.001 . 1 . . . . 94 Ile HB . 17476 1 616 . 1 1 59 59 ILE HG12 H 1 1.061 0.001 . 2 . . . . 94 Ile HG12 . 17476 1 617 . 1 1 59 59 ILE HG13 H 1 1.614 0.001 . 2 . . . . 94 Ile HG13 . 17476 1 618 . 1 1 59 59 ILE HG21 H 1 0.888 0.001 . 1 . . . . 94 Ile HG2 . 17476 1 619 . 1 1 59 59 ILE HG22 H 1 0.888 0.001 . 1 . . . . 94 Ile HG2 . 17476 1 620 . 1 1 59 59 ILE HG23 H 1 0.888 0.001 . 1 . . . . 94 Ile HG2 . 17476 1 621 . 1 1 59 59 ILE HD11 H 1 0.754 0.001 . 1 . . . . 94 Ile HD1 . 17476 1 622 . 1 1 59 59 ILE HD12 H 1 0.754 0.001 . 1 . . . . 94 Ile HD1 . 17476 1 623 . 1 1 59 59 ILE HD13 H 1 0.754 0.001 . 1 . . . . 94 Ile HD1 . 17476 1 624 . 1 1 59 59 ILE C C 13 177.780 0.010 . 1 . . . . 94 Ile CO . 17476 1 625 . 1 1 59 59 ILE CA C 13 65.040 0.010 . 1 . . . . 94 Ile CA . 17476 1 626 . 1 1 59 59 ILE CB C 13 37.640 0.010 . 1 . . . . 94 Ile CB . 17476 1 627 . 1 1 59 59 ILE CD1 C 13 12.870 0.010 . 1 . . . . 94 Ile CD1 . 17476 1 628 . 1 1 59 59 ILE N N 15 122.680 0.010 . 1 . . . . 94 Ile N . 17476 1 629 . 1 1 60 60 HIS H H 1 8.397 0.001 . 1 . . . . 95 His HN . 17476 1 630 . 1 1 60 60 HIS HA H 1 3.950 0.001 . 1 . . . . 95 His HA . 17476 1 631 . 1 1 60 60 HIS HB2 H 1 3.024 0.001 . 1 . . . . 95 His HB2 . 17476 1 632 . 1 1 60 60 HIS HB3 H 1 2.292 0.001 . 1 . . . . 95 His HB3 . 17476 1 633 . 1 1 60 60 HIS HD1 H 1 11.859 0.001 . 1 . . . . 95 His HD1 . 17476 1 634 . 1 1 60 60 HIS HD2 H 1 7.304 0.001 . 1 . . . . 95 His HD2 . 17476 1 635 . 1 1 60 60 HIS HE1 H 1 7.621 0.001 . 1 . . . . 95 His HE1 . 17476 1 636 . 1 1 60 60 HIS C C 13 179.040 0.010 . 1 . . . . 95 His CO . 17476 1 637 . 1 1 60 60 HIS CA C 13 59.870 0.010 . 1 . . . . 95 His CA . 17476 1 638 . 1 1 60 60 HIS CB C 13 28.190 0.010 . 1 . . . . 95 His CB . 17476 1 639 . 1 1 60 60 HIS N N 15 117.880 0.010 . 1 . . . . 95 His N . 17476 1 640 . 1 1 61 61 SER H H 1 7.453 0.001 . 1 . . . . 96 Ser HN . 17476 1 641 . 1 1 61 61 SER HA H 1 3.856 0.001 . 1 . . . . 96 Ser HA . 17476 1 642 . 1 1 61 61 SER HB2 H 1 3.204 0.001 . 2 . . . . 96 Ser HB2 . 17476 1 643 . 1 1 61 61 SER HB3 H 1 3.558 0.001 . 2 . . . . 96 Ser HB3 . 17476 1 644 . 1 1 61 61 SER HG H 1 4.392 0.001 . 1 . . . . 96 Ser HG . 17476 1 645 . 1 1 61 61 SER C C 13 176.810 0.010 . 1 . . . . 96 Ser CO . 17476 1 646 . 1 1 61 61 SER CA C 13 61.500 0.010 . 1 . . . . 96 Ser CA . 17476 1 647 . 1 1 61 61 SER CB C 13 63.620 0.010 . 1 . . . . 96 Ser CB . 17476 1 648 . 1 1 61 61 SER N N 15 114.760 0.010 . 1 . . . . 96 Ser N . 17476 1 649 . 1 1 62 62 GLN H H 1 7.980 0.001 . 1 . . . . 97 Gln HN . 17476 1 650 . 1 1 62 62 GLN HA H 1 3.840 0.001 . 1 . . . . 97 Gln HA . 17476 1 651 . 1 1 62 62 GLN HB2 H 1 1.937 0.001 . 2 . . . . 97 Gln HB2 . 17476 1 652 . 1 1 62 62 GLN HB3 H 1 2.111 0.001 . 2 . . . . 97 Gln HB3 . 17476 1 653 . 1 1 62 62 GLN HG2 H 1 2.382 0.001 . 2 . . . . 97 Gln HG2 . 17476 1 654 . 1 1 62 62 GLN HG3 H 1 2.259 0.001 . 2 . . . . 97 Gln HG3 . 17476 1 655 . 1 1 62 62 GLN HE21 H 1 6.668 0.001 . 1 . . . . 97 Gln HE21 . 17476 1 656 . 1 1 62 62 GLN HE22 H 1 7.309 0.001 . 1 . . . . 97 Gln HE22 . 17476 1 657 . 1 1 62 62 GLN C C 13 178.600 0.010 . 1 . . . . 97 Gln CO . 17476 1 658 . 1 1 62 62 GLN CA C 13 58.420 0.010 . 1 . . . . 97 Gln CA . 17476 1 659 . 1 1 62 62 GLN CB C 13 28.250 0.010 . 1 . . . . 97 Gln CB . 17476 1 660 . 1 1 62 62 GLN N N 15 118.360 0.010 . 1 . . . . 97 Gln N . 17476 1 661 . 1 1 63 63 GLU H H 1 8.048 0.001 . 1 . . . . 98 Glu HN . 17476 1 662 . 1 1 63 63 GLU HA H 1 3.950 0.001 . 1 . . . . 98 Glu HA . 17476 1 663 . 1 1 63 63 GLU HB2 H 1 1.832 0.001 . 2 . . . . 98 Glu HB2 . 17476 1 664 . 1 1 63 63 GLU HB3 H 1 1.895 0.001 . 2 . . . . 98 Glu HB3 . 17476 1 665 . 1 1 63 63 GLU HG2 H 1 2.323 0.001 . 2 . . . . 98 Glu HG2 . 17476 1 666 . 1 1 63 63 GLU HG3 H 1 2.096 0.001 . 2 . . . . 98 Glu HG3 . 17476 1 667 . 1 1 63 63 GLU C C 13 178.350 0.010 . 1 . . . . 98 Glu CO . 17476 1 668 . 1 1 63 63 GLU CA C 13 58.470 0.010 . 1 . . . . 98 Glu CA . 17476 1 669 . 1 1 63 63 GLU CB C 13 30.330 0.010 . 1 . . . . 98 Glu CB . 17476 1 670 . 1 1 63 63 GLU N N 15 116.340 0.010 . 1 . . . . 98 Glu N . 17476 1 671 . 1 1 64 64 THR H H 1 7.304 0.001 . 1 . . . . 99 Thr HN . 17476 1 672 . 1 1 64 64 THR HA H 1 2.885 0.001 . 1 . . . . 99 Thr HA . 17476 1 673 . 1 1 64 64 THR HB H 1 2.438 0.001 . 1 . . . . 99 Thr HB . 17476 1 674 . 1 1 64 64 THR HG1 H 1 3.839 0.001 . 1 . . . . 99 Thr HG1 . 17476 1 675 . 1 1 64 64 THR HG21 H 1 0.445 0.001 . 1 . . . . 99 Thr HG2 . 17476 1 676 . 1 1 64 64 THR HG22 H 1 0.445 0.001 . 1 . . . . 99 Thr HG2 . 17476 1 677 . 1 1 64 64 THR HG23 H 1 0.445 0.001 . 1 . . . . 99 Thr HG2 . 17476 1 678 . 1 1 64 64 THR C C 13 175.460 0.010 . 1 . . . . 99 Thr CO . 17476 1 679 . 1 1 64 64 THR CA C 13 62.190 0.010 . 1 . . . . 99 Thr CA . 17476 1 680 . 1 1 64 64 THR CB C 13 71.020 0.010 . 1 . . . . 99 Thr CB . 17476 1 681 . 1 1 64 64 THR CG2 C 13 20.330 0.010 . 1 . . . . 99 Thr CG2 . 17476 1 682 . 1 1 64 64 THR N N 15 105.970 0.010 . 1 . . . . 99 Thr N . 17476 1 683 . 1 1 65 65 LYS H H 1 7.878 0.001 . 1 . . . . 100 Lys HN . 17476 1 684 . 1 1 65 65 LYS HA H 1 3.191 0.001 . 1 . . . . 100 Lys HA . 17476 1 685 . 1 1 65 65 LYS HB2 H 1 1.887 0.001 . 2 . . . . 100 Lys HB2 . 17476 1 686 . 1 1 65 65 LYS HB3 H 1 1.611 0.001 . 2 . . . . 100 Lys HB3 . 17476 1 687 . 1 1 65 65 LYS HG2 H 1 1.230 0.001 . 2 . . . . 100 Lys HG2 . 17476 1 688 . 1 1 65 65 LYS HG3 H 1 1.161 0.001 . 2 . . . . 100 Lys HG3 . 17476 1 689 . 1 1 65 65 LYS HD2 H 1 1.574 0.001 . 2 . . . . 100 Lys HD2 . 17476 1 690 . 1 1 65 65 LYS HD3 H 1 1.629 0.001 . 2 . . . . 100 Lys HD3 . 17476 1 691 . 1 1 65 65 LYS HE2 H 1 2.961 0.001 . 2 . . . . 100 Lys HE2 . 17476 1 692 . 1 1 65 65 LYS HE3 H 1 2.921 0.001 . 2 . . . . 100 Lys HE3 . 17476 1 693 . 1 1 65 65 LYS C C 13 174.340 0.010 . 1 . . . . 100 Lys CO . 17476 1 694 . 1 1 65 65 LYS CA C 13 57.630 0.010 . 1 . . . . 100 Lys CA . 17476 1 695 . 1 1 65 65 LYS CB C 13 27.960 0.010 . 1 . . . . 100 Lys CB . 17476 1 696 . 1 1 65 65 LYS N N 15 115.710 0.010 . 1 . . . . 100 Lys N . 17476 1 697 . 1 1 66 66 HIS H H 1 7.173 0.001 . 1 . . . . 101 His HN . 17476 1 698 . 1 1 66 66 HIS HA H 1 4.598 0.001 . 1 . . . . 101 His HA . 17476 1 699 . 1 1 66 66 HIS HB2 H 1 3.169 0.001 . 1 . . . . 101 His HB2 . 17476 1 700 . 1 1 66 66 HIS HB3 H 1 2.885 0.001 . 1 . . . . 101 His HB3 . 17476 1 701 . 1 1 66 66 HIS HD2 H 1 6.359 0.001 . 1 . . . . 101 His HD2 . 17476 1 702 . 1 1 66 66 HIS HE1 H 1 8.088 0.001 . 1 . . . . 101 His HE1 . 17476 1 703 . 1 1 66 66 HIS C C 13 177.090 0.010 . 1 . . . . 101 His CO . 17476 1 704 . 1 1 66 66 HIS CA C 13 52.640 0.010 . 1 . . . . 101 His CA . 17476 1 705 . 1 1 66 66 HIS CB C 13 31.910 0.010 . 1 . . . . 101 His CB . 17476 1 706 . 1 1 66 66 HIS N N 15 116.930 0.010 . 1 . . . . 101 His N . 17476 1 707 . 1 1 67 67 TYR H H 1 9.096 0.001 . 1 . . . . 102 Tyr HN . 17476 1 708 . 1 1 67 67 TYR HA H 1 4.730 0.001 . 1 . . . . 102 Tyr HA . 17476 1 709 . 1 1 67 67 TYR HB2 H 1 3.482 0.001 . 1 . . . . 102 Tyr HB2 . 17476 1 710 . 1 1 67 67 TYR HB3 H 1 2.638 0.001 . 1 . . . . 102 Tyr HB3 . 17476 1 711 . 1 1 67 67 TYR HD1 H 1 6.786 0.001 . 3 . . . . 102 Tyr HD . 17476 1 712 . 1 1 67 67 TYR HD2 H 1 6.786 0.001 . 3 . . . . 102 Tyr HD . 17476 1 713 . 1 1 67 67 TYR HE1 H 1 6.679 0.001 . 3 . . . . 102 Tyr HE . 17476 1 714 . 1 1 67 67 TYR HE2 H 1 6.679 0.001 . 3 . . . . 102 Tyr HE . 17476 1 715 . 1 1 67 67 TYR C C 13 173.830 0.010 . 1 . . . . 102 Tyr CO . 17476 1 716 . 1 1 67 67 TYR CA C 13 59.520 0.010 . 1 . . . . 102 Tyr CA . 17476 1 717 . 1 1 67 67 TYR CB C 13 39.780 0.010 . 1 . . . . 102 Tyr CB . 17476 1 718 . 1 1 67 67 TYR N N 15 127.590 0.010 . 1 . . . . 102 Tyr N . 17476 1 719 . 1 1 68 68 LEU H H 1 9.370 0.001 . 1 . . . . 103 Leu HN . 17476 1 720 . 1 1 68 68 LEU HA H 1 5.645 0.001 . 1 . . . . 103 Leu HA . 17476 1 721 . 1 1 68 68 LEU HB2 H 1 1.273 0.001 . 1 . . . . 103 Leu HB2 . 17476 1 722 . 1 1 68 68 LEU HB3 H 1 1.880 0.001 . 1 . . . . 103 Leu HB3 . 17476 1 723 . 1 1 68 68 LEU HG H 1 1.658 0.001 . 1 . . . . 103 Leu HG . 17476 1 724 . 1 1 68 68 LEU HD11 H 1 0.858 0.001 . 2 . . . . 103 Leu HD1 . 17476 1 725 . 1 1 68 68 LEU HD12 H 1 0.858 0.001 . 2 . . . . 103 Leu HD1 . 17476 1 726 . 1 1 68 68 LEU HD13 H 1 0.858 0.001 . 2 . . . . 103 Leu HD1 . 17476 1 727 . 1 1 68 68 LEU HD21 H 1 0.894 0.001 . 2 . . . . 103 Leu HD2 . 17476 1 728 . 1 1 68 68 LEU HD22 H 1 0.894 0.001 . 2 . . . . 103 Leu HD2 . 17476 1 729 . 1 1 68 68 LEU HD23 H 1 0.894 0.001 . 2 . . . . 103 Leu HD2 . 17476 1 730 . 1 1 68 68 LEU C C 13 176.130 0.010 . 1 . . . . 103 Leu CO . 17476 1 731 . 1 1 68 68 LEU CA C 13 53.740 0.010 . 1 . . . . 103 Leu CA . 17476 1 732 . 1 1 68 68 LEU CB C 13 44.210 0.010 . 1 . . . . 103 Leu CB . 17476 1 733 . 1 1 68 68 LEU CD1 C 13 25.590 0.010 . 1 . . . . 103 Leu CD1 . 17476 1 734 . 1 1 68 68 LEU CD2 C 13 25.000 0.010 . 1 . . . . 103 Leu CD2 . 17476 1 735 . 1 1 68 68 LEU N N 15 121.580 0.010 . 1 . . . . 103 Leu N . 17476 1 736 . 1 1 69 69 THR H H 1 8.737 0.001 . 1 . . . . 104 Thr HN . 17476 1 737 . 1 1 69 69 THR HA H 1 5.432 0.001 . 1 . . . . 104 Thr HA . 17476 1 738 . 1 1 69 69 THR HB H 1 4.403 0.001 . 1 . . . . 104 Thr HB . 17476 1 739 . 1 1 69 69 THR HG1 H 1 4.663 0.001 . 1 . . . . 104 Thr HG1 . 17476 1 740 . 1 1 69 69 THR HG21 H 1 1.314 0.001 . 1 . . . . 104 Thr HG2 . 17476 1 741 . 1 1 69 69 THR HG22 H 1 1.314 0.001 . 1 . . . . 104 Thr HG2 . 17476 1 742 . 1 1 69 69 THR HG23 H 1 1.314 0.001 . 1 . . . . 104 Thr HG2 . 17476 1 743 . 1 1 69 69 THR C C 13 171.430 0.010 . 1 . . . . 104 Thr CO . 17476 1 744 . 1 1 69 69 THR CA C 13 59.350 0.010 . 1 . . . . 104 Thr CA . 17476 1 745 . 1 1 69 69 THR CB C 13 70.270 0.010 . 1 . . . . 104 Thr CB . 17476 1 746 . 1 1 69 69 THR CG2 C 13 21.710 0.010 . 1 . . . . 104 Thr CG2 . 17476 1 747 . 1 1 69 69 THR N N 15 117.300 0.010 . 1 . . . . 104 Thr N . 17476 1 748 . 1 1 70 70 VAL H H 1 9.047 0.001 . 1 . . . . 105 Val HN . 17476 1 749 . 1 1 70 70 VAL HA H 1 5.514 0.001 . 1 . . . . 105 Val HA . 17476 1 750 . 1 1 70 70 VAL HB H 1 1.934 0.001 . 1 . . . . 105 Val HB . 17476 1 751 . 1 1 70 70 VAL HG11 H 1 1.047 0.001 . 2 . . . . 105 Val HG1 . 17476 1 752 . 1 1 70 70 VAL HG12 H 1 1.047 0.001 . 2 . . . . 105 Val HG1 . 17476 1 753 . 1 1 70 70 VAL HG13 H 1 1.047 0.001 . 2 . . . . 105 Val HG1 . 17476 1 754 . 1 1 70 70 VAL HG21 H 1 0.683 0.001 . 2 . . . . 105 Val HG2 . 17476 1 755 . 1 1 70 70 VAL HG22 H 1 0.683 0.001 . 2 . . . . 105 Val HG2 . 17476 1 756 . 1 1 70 70 VAL HG23 H 1 0.683 0.001 . 2 . . . . 105 Val HG2 . 17476 1 757 . 1 1 70 70 VAL C C 13 172.240 0.010 . 1 . . . . 105 Val CO . 17476 1 758 . 1 1 70 70 VAL CA C 13 57.480 0.010 . 1 . . . . 105 Val CA . 17476 1 759 . 1 1 70 70 VAL CB C 13 35.970 0.010 . 1 . . . . 105 Val CB . 17476 1 760 . 1 1 70 70 VAL CG1 C 13 20.090 0.010 . 1 . . . . 105 Val CG1 . 17476 1 761 . 1 1 70 70 VAL CG2 C 13 21.250 0.010 . 1 . . . . 105 Val CG2 . 17476 1 762 . 1 1 70 70 VAL N N 15 123.880 0.010 . 1 . . . . 105 Val N . 17476 1 763 . 1 1 71 71 ASN H H 1 8.288 0.001 . 1 . . . . 106 Asn HN . 17476 1 764 . 1 1 71 71 ASN HA H 1 3.534 0.001 . 1 . . . . 106 Asn HA . 17476 1 765 . 1 1 71 71 ASN HB2 H 1 2.338 0.001 . 2 . . . . 106 Asn HB2 . 17476 1 766 . 1 1 71 71 ASN HB3 H 1 0.267 0.001 . 2 . . . . 106 Asn HB3 . 17476 1 767 . 1 1 71 71 ASN HD21 H 1 7.293 0.001 . 1 . . . . 106 Asn HD21 . 17476 1 768 . 1 1 71 71 ASN HD22 H 1 7.438 0.001 . 1 . . . . 106 Asn HD22 . 17476 1 769 . 1 1 71 71 ASN C C 13 176.940 0.010 . 1 . . . . 106 Asn CO . 17476 1 770 . 1 1 71 71 ASN CA C 13 52.960 0.010 . 1 . . . . 106 Asn CA . 17476 1 771 . 1 1 71 71 ASN CB C 13 37.400 0.010 . 1 . . . . 106 Asn CB . 17476 1 772 . 1 1 71 71 ASN N N 15 129.690 0.010 . 1 . . . . 106 Asn N . 17476 1 773 . 1 1 72 72 LEU H H 1 8.979 0.001 . 1 . . . . 107 Leu HN . 17476 1 774 . 1 1 72 72 LEU HA H 1 3.853 0.001 . 1 . . . . 107 Leu HA . 17476 1 775 . 1 1 72 72 LEU HB2 H 1 1.167 0.001 . 1 . . . . 107 Leu HB2 . 17476 1 776 . 1 1 72 72 LEU HB3 H 1 1.873 0.001 . 1 . . . . 107 Leu HB3 . 17476 1 777 . 1 1 72 72 LEU HG H 1 1.592 0.001 . 1 . . . . 107 Leu HG . 17476 1 778 . 1 1 72 72 LEU HD11 H 1 0.565 0.001 . 2 . . . . 107 Leu HD1 . 17476 1 779 . 1 1 72 72 LEU HD12 H 1 0.565 0.001 . 2 . . . . 107 Leu HD1 . 17476 1 780 . 1 1 72 72 LEU HD13 H 1 0.565 0.001 . 2 . . . . 107 Leu HD1 . 17476 1 781 . 1 1 72 72 LEU HD21 H 1 0.820 0.001 . 2 . . . . 107 Leu HD2 . 17476 1 782 . 1 1 72 72 LEU HD22 H 1 0.820 0.001 . 2 . . . . 107 Leu HD2 . 17476 1 783 . 1 1 72 72 LEU HD23 H 1 0.820 0.001 . 2 . . . . 107 Leu HD2 . 17476 1 784 . 1 1 72 72 LEU C C 13 176.700 0.010 . 1 . . . . 107 Leu CO . 17476 1 785 . 1 1 72 72 LEU CA C 13 56.570 0.010 . 1 . . . . 107 Leu CA . 17476 1 786 . 1 1 72 72 LEU CB C 13 41.160 0.010 . 1 . . . . 107 Leu CB . 17476 1 787 . 1 1 72 72 LEU CD1 C 13 25.430 0.010 . 1 . . . . 107 Leu CD1 . 17476 1 788 . 1 1 72 72 LEU CD2 C 13 22.950 0.010 . 1 . . . . 107 Leu CD2 . 17476 1 789 . 1 1 72 72 LEU N N 15 127.400 0.010 . 1 . . . . 107 Leu N . 17476 1 790 . 1 1 73 73 THR H H 1 8.913 0.001 . 1 . . . . 108 Thr HN . 17476 1 791 . 1 1 73 73 THR HA H 1 4.232 0.001 . 1 . . . . 108 Thr HA . 17476 1 792 . 1 1 73 73 THR HB H 1 4.230 0.001 . 1 . . . . 108 Thr HB . 17476 1 793 . 1 1 73 73 THR HG21 H 1 1.190 0.001 . 1 . . . . 108 Thr HG2 . 17476 1 794 . 1 1 73 73 THR HG22 H 1 1.190 0.001 . 1 . . . . 108 Thr HG2 . 17476 1 795 . 1 1 73 73 THR HG23 H 1 1.190 0.001 . 1 . . . . 108 Thr HG2 . 17476 1 796 . 1 1 73 73 THR C C 13 175.410 0.010 . 1 . . . . 108 Thr CO . 17476 1 797 . 1 1 73 73 THR CA C 13 65.280 0.010 . 1 . . . . 108 Thr CA . 17476 1 798 . 1 1 73 73 THR CB C 13 69.730 0.010 . 1 . . . . 108 Thr CB . 17476 1 799 . 1 1 73 73 THR CG2 C 13 21.070 0.010 . 1 . . . . 108 Thr CG2 . 17476 1 800 . 1 1 73 73 THR N N 15 115.150 0.010 . 1 . . . . 108 Thr N . 17476 1 801 . 1 1 74 74 THR H H 1 7.846 0.001 . 1 . . . . 109 Thr HN . 17476 1 802 . 1 1 74 74 THR HA H 1 4.085 0.001 . 1 . . . . 109 Thr HA . 17476 1 803 . 1 1 74 74 THR HB H 1 4.234 0.001 . 1 . . . . 109 Thr HB . 17476 1 804 . 1 1 74 74 THR HG1 H 1 5.278 0.001 . 1 . . . . 109 Thr HG1 . 17476 1 805 . 1 1 74 74 THR HG21 H 1 1.087 0.001 . 1 . . . . 109 Thr HG2 . 17476 1 806 . 1 1 74 74 THR HG22 H 1 1.087 0.001 . 1 . . . . 109 Thr HG2 . 17476 1 807 . 1 1 74 74 THR HG23 H 1 1.087 0.001 . 1 . . . . 109 Thr HG2 . 17476 1 808 . 1 1 74 74 THR C C 13 177.820 0.010 . 1 . . . . 109 Thr CO . 17476 1 809 . 1 1 74 74 THR CA C 13 62.160 0.010 . 1 . . . . 109 Thr CA . 17476 1 810 . 1 1 74 74 THR CB C 13 70.230 0.010 . 1 . . . . 109 Thr CB . 17476 1 811 . 1 1 74 74 THR CG2 C 13 20.860 0.010 . 1 . . . . 109 Thr CG2 . 17476 1 812 . 1 1 74 74 THR N N 15 110.770 0.010 . 1 . . . . 109 Thr N . 17476 1 813 . 1 1 75 75 LEU H H 1 8.392 0.001 . 1 . . . . 110 Leu HN . 17476 1 814 . 1 1 75 75 LEU HA H 1 3.907 0.001 . 1 . . . . 110 Leu HA . 17476 1 815 . 1 1 75 75 LEU HB2 H 1 1.606 0.001 . 1 . . . . 110 Leu HB2 . 17476 1 816 . 1 1 75 75 LEU HB3 H 1 1.992 0.001 . 1 . . . . 110 Leu HB3 . 17476 1 817 . 1 1 75 75 LEU HG H 1 1.379 0.001 . 1 . . . . 110 Leu HG . 17476 1 818 . 1 1 75 75 LEU HD11 H 1 0.814 0.001 . 2 . . . . 110 Leu HD1 . 17476 1 819 . 1 1 75 75 LEU HD12 H 1 0.814 0.001 . 2 . . . . 110 Leu HD1 . 17476 1 820 . 1 1 75 75 LEU HD13 H 1 0.814 0.001 . 2 . . . . 110 Leu HD1 . 17476 1 821 . 1 1 75 75 LEU HD21 H 1 0.732 0.001 . 2 . . . . 110 Leu HD2 . 17476 1 822 . 1 1 75 75 LEU HD22 H 1 0.732 0.001 . 2 . . . . 110 Leu HD2 . 17476 1 823 . 1 1 75 75 LEU HD23 H 1 0.732 0.001 . 2 . . . . 110 Leu HD2 . 17476 1 824 . 1 1 75 75 LEU C C 13 175.050 0.010 . 1 . . . . 110 Leu CO . 17476 1 825 . 1 1 75 75 LEU CA C 13 55.960 0.010 . 1 . . . . 110 Leu CA . 17476 1 826 . 1 1 75 75 LEU CB C 13 37.880 0.010 . 1 . . . . 110 Leu CB . 17476 1 827 . 1 1 75 75 LEU CD1 C 13 24.260 0.010 . 1 . . . . 110 Leu CD1 . 17476 1 828 . 1 1 75 75 LEU CD2 C 13 22.200 0.010 . 1 . . . . 110 Leu CD2 . 17476 1 829 . 1 1 75 75 LEU N N 15 118.300 0.010 . 1 . . . . 110 Leu N . 17476 1 830 . 1 1 76 76 ARG H H 1 7.132 0.001 . 1 . . . . 111 Arg HN . 17476 1 831 . 1 1 76 76 ARG HA H 1 4.311 0.001 . 1 . . . . 111 Arg HA . 17476 1 832 . 1 1 76 76 ARG HB2 H 1 1.775 0.001 . 2 . . . . 111 Arg HB2 . 17476 1 833 . 1 1 76 76 ARG HB3 H 1 1.581 0.001 . 2 . . . . 111 Arg HB3 . 17476 1 834 . 1 1 76 76 ARG HG2 H 1 1.587 0.001 . 2 . . . . 111 Arg HG2 . 17476 1 835 . 1 1 76 76 ARG HG3 H 1 1.692 0.001 . 2 . . . . 111 Arg HG3 . 17476 1 836 . 1 1 76 76 ARG HD2 H 1 3.215 0.001 . 2 . . . . 111 Arg HD2 . 17476 1 837 . 1 1 76 76 ARG HD3 H 1 3.286 0.001 . 2 . . . . 111 Arg HD3 . 17476 1 838 . 1 1 76 76 ARG HE H 1 7.471 0.001 . 1 . . . . 111 Arg HE . 17476 1 839 . 1 1 76 76 ARG C C 13 174.730 0.010 . 1 . . . . 111 Arg CO . 17476 1 840 . 1 1 76 76 ARG CA C 13 56.370 0.010 . 1 . . . . 111 Arg CA . 17476 1 841 . 1 1 76 76 ARG CB C 13 31.670 0.010 . 1 . . . . 111 Arg CB . 17476 1 842 . 1 1 76 76 ARG N N 15 117.010 0.010 . 1 . . . . 111 Arg N . 17476 1 843 . 1 1 77 77 VAL H H 1 9.062 0.001 . 1 . . . . 112 Val HN . 17476 1 844 . 1 1 77 77 VAL HA H 1 4.904 0.001 . 1 . . . . 112 Val HA . 17476 1 845 . 1 1 77 77 VAL HB H 1 2.173 0.001 . 1 . . . . 112 Val HB . 17476 1 846 . 1 1 77 77 VAL HG11 H 1 0.733 0.001 . 2 . . . . 112 Val HG1 . 17476 1 847 . 1 1 77 77 VAL HG12 H 1 0.733 0.001 . 2 . . . . 112 Val HG1 . 17476 1 848 . 1 1 77 77 VAL HG13 H 1 0.733 0.001 . 2 . . . . 112 Val HG1 . 17476 1 849 . 1 1 77 77 VAL HG21 H 1 0.907 0.001 . 2 . . . . 112 Val HG2 . 17476 1 850 . 1 1 77 77 VAL HG22 H 1 0.907 0.001 . 2 . . . . 112 Val HG2 . 17476 1 851 . 1 1 77 77 VAL HG23 H 1 0.907 0.001 . 2 . . . . 112 Val HG2 . 17476 1 852 . 1 1 77 77 VAL C C 13 174.540 0.010 . 1 . . . . 112 Val CO . 17476 1 853 . 1 1 77 77 VAL CA C 13 61.600 0.010 . 1 . . . . 112 Val CA . 17476 1 854 . 1 1 77 77 VAL CB C 13 31.970 0.010 . 1 . . . . 112 Val CB . 17476 1 855 . 1 1 77 77 VAL CG1 C 13 21.810 0.010 . 1 . . . . 112 Val CG1 . 17476 1 856 . 1 1 77 77 VAL CG2 C 13 21.280 0.010 . 1 . . . . 112 Val CG2 . 17476 1 857 . 1 1 77 77 VAL N N 15 125.790 0.010 . 1 . . . . 112 Val N . 17476 1 858 . 1 1 78 78 TRP H H 1 9.443 0.001 . 1 . . . . 113 Trp HN . 17476 1 859 . 1 1 78 78 TRP HA H 1 4.845 0.001 . 1 . . . . 113 Trp HA . 17476 1 860 . 1 1 78 78 TRP HB2 H 1 2.739 0.001 . 1 . . . . 113 Trp HB2 . 17476 1 861 . 1 1 78 78 TRP HB3 H 1 2.844 0.001 . 1 . . . . 113 Trp HB3 . 17476 1 862 . 1 1 78 78 TRP HD1 H 1 5.124 0.001 . 1 . . . . 113 Trp HD1 . 17476 1 863 . 1 1 78 78 TRP HE1 H 1 9.224 0.001 . 1 . . . . 113 Trp HE1 . 17476 1 864 . 1 1 78 78 TRP HE3 H 1 7.231 0.001 . 1 . . . . 113 Trp HE3 . 17476 1 865 . 1 1 78 78 TRP HZ2 H 1 7.137 0.001 . 1 . . . . 113 Trp HZ2 . 17476 1 866 . 1 1 78 78 TRP HZ3 H 1 7.229 0.001 . 1 . . . . 113 Trp HZ3 . 17476 1 867 . 1 1 78 78 TRP HH2 H 1 6.983 0.001 . 1 . . . . 113 Trp HH2 . 17476 1 868 . 1 1 78 78 TRP C C 13 172.920 0.010 . 1 . . . . 113 Trp CO . 17476 1 869 . 1 1 78 78 TRP CA C 13 55.170 0.010 . 1 . . . . 113 Trp CA . 17476 1 870 . 1 1 78 78 TRP CB C 13 33.910 0.010 . 1 . . . . 113 Trp CB . 17476 1 871 . 1 1 78 78 TRP N N 15 129.310 0.010 . 1 . . . . 113 Trp N . 17476 1 872 . 1 1 79 79 CYS H H 1 7.159 0.001 . 1 . . . . 114 Cys HN . 17476 1 873 . 1 1 79 79 CYS HA H 1 5.169 0.001 . 1 . . . . 114 Cys HA . 17476 1 874 . 1 1 79 79 CYS HB2 H 1 2.476 0.001 . 1 . . . . 114 Cys HB2 . 17476 1 875 . 1 1 79 79 CYS HB3 H 1 2.603 0.001 . 1 . . . . 114 Cys HB3 . 17476 1 876 . 1 1 79 79 CYS C C 13 177.670 0.010 . 1 . . . . 114 Cys CO . 17476 1 877 . 1 1 79 79 CYS CA C 13 56.450 0.010 . 1 . . . . 114 Cys CA . 17476 1 878 . 1 1 79 79 CYS CB C 13 31.400 0.010 . 1 . . . . 114 Cys CB . 17476 1 879 . 1 1 79 79 CYS N N 15 124.710 0.010 . 1 . . . . 114 Cys N . 17476 1 880 . 1 1 80 80 TYR H H 1 10.164 0.001 . 1 . . . . 115 Tyr HN . 17476 1 881 . 1 1 80 80 TYR HA H 1 4.263 0.001 . 1 . . . . 115 Tyr HA . 17476 1 882 . 1 1 80 80 TYR HB2 H 1 3.219 0.001 . 1 . . . . 115 Tyr HB2 . 17476 1 883 . 1 1 80 80 TYR HB3 H 1 2.945 0.001 . 1 . . . . 115 Tyr HB3 . 17476 1 884 . 1 1 80 80 TYR HD1 H 1 7.387 0.001 . 3 . . . . 115 Tyr HD . 17476 1 885 . 1 1 80 80 TYR HD2 H 1 7.387 0.001 . 3 . . . . 115 Tyr HD . 17476 1 886 . 1 1 80 80 TYR HE1 H 1 6.713 0.001 . 3 . . . . 115 Tyr HE . 17476 1 887 . 1 1 80 80 TYR HE2 H 1 6.713 0.001 . 3 . . . . 115 Tyr HE . 17476 1 888 . 1 1 80 80 TYR C C 13 177.470 0.010 . 1 . . . . 115 Tyr CO . 17476 1 889 . 1 1 80 80 TYR CA C 13 61.880 0.010 . 1 . . . . 115 Tyr CA . 17476 1 890 . 1 1 80 80 TYR CB C 13 40.240 0.010 . 1 . . . . 115 Tyr CB . 17476 1 891 . 1 1 80 80 TYR N N 15 125.840 0.010 . 1 . . . . 115 Tyr N . 17476 1 892 . 1 1 81 81 ALA H H 1 7.994 0.001 . 1 . . . . 116 Ala HN . 17476 1 893 . 1 1 81 81 ALA HA H 1 3.789 0.001 . 1 . . . . 116 Ala HA . 17476 1 894 . 1 1 81 81 ALA HB1 H 1 -0.333 0.001 . 1 . . . . 116 Ala HB . 17476 1 895 . 1 1 81 81 ALA HB2 H 1 -0.333 0.001 . 1 . . . . 116 Ala HB . 17476 1 896 . 1 1 81 81 ALA HB3 H 1 -0.333 0.001 . 1 . . . . 116 Ala HB . 17476 1 897 . 1 1 81 81 ALA C C 13 179.590 0.010 . 1 . . . . 116 Ala CO . 17476 1 898 . 1 1 81 81 ALA CA C 13 54.260 0.010 . 1 . . . . 116 Ala CA . 17476 1 899 . 1 1 81 81 ALA CB C 13 16.970 0.010 . 1 . . . . 116 Ala CB . 17476 1 900 . 1 1 81 81 ALA N N 15 123.960 0.010 . 1 . . . . 116 Ala N . 17476 1 901 . 1 1 82 82 CYS H H 1 9.757 0.001 . 1 . . . . 117 Cys HN . 17476 1 902 . 1 1 82 82 CYS HA H 1 3.858 0.001 . 1 . . . . 117 Cys HA . 17476 1 903 . 1 1 82 82 CYS HB2 H 1 2.410 0.001 . 1 . . . . 117 Cys HB2 . 17476 1 904 . 1 1 82 82 CYS HB3 H 1 2.675 0.001 . 1 . . . . 117 Cys HB3 . 17476 1 905 . 1 1 82 82 CYS C C 13 175.510 0.010 . 1 . . . . 117 Cys CO . 17476 1 906 . 1 1 82 82 CYS CA C 13 62.480 0.010 . 1 . . . . 117 Cys CA . 17476 1 907 . 1 1 82 82 CYS CB C 13 30.060 0.010 . 1 . . . . 117 Cys CB . 17476 1 908 . 1 1 82 82 CYS N N 15 123.730 0.010 . 1 . . . . 117 Cys N . 17476 1 909 . 1 1 83 83 SER H H 1 7.776 0.001 . 1 . . . . 118 Ser HN . 17476 1 910 . 1 1 83 83 SER HA H 1 3.569 0.001 . 1 . . . . 118 Ser HA . 17476 1 911 . 1 1 83 83 SER HB2 H 1 3.677 0.001 . 2 . . . . 118 Ser HB2 . 17476 1 912 . 1 1 83 83 SER HB3 H 1 4.161 0.001 . 2 . . . . 118 Ser HB3 . 17476 1 913 . 1 1 83 83 SER C C 13 173.100 0.010 . 1 . . . . 118 Ser CO . 17476 1 914 . 1 1 83 83 SER CA C 13 57.940 0.010 . 1 . . . . 118 Ser CA . 17476 1 915 . 1 1 83 83 SER CB C 13 61.700 0.010 . 1 . . . . 118 Ser CB . 17476 1 916 . 1 1 83 83 SER N N 15 115.730 0.010 . 1 . . . . 118 Ser N . 17476 1 917 . 1 1 84 84 LYS H H 1 6.366 0.001 . 1 . . . . 119 Lys HN . 17476 1 918 . 1 1 84 84 LYS HA H 1 3.840 0.001 . 1 . . . . 119 Lys HA . 17476 1 919 . 1 1 84 84 LYS HB2 H 1 1.541 0.001 . 2 . . . . 119 Lys HB2 . 17476 1 920 . 1 1 84 84 LYS HB3 H 1 1.387 0.001 . 2 . . . . 119 Lys HB3 . 17476 1 921 . 1 1 84 84 LYS HG2 H 1 0.935 0.001 . 2 . . . . 119 Lys HG2 . 17476 1 922 . 1 1 84 84 LYS HG3 H 1 0.843 0.001 . 2 . . . . 119 Lys HG3 . 17476 1 923 . 1 1 84 84 LYS HD2 H 1 1.503 0.001 . 2 . . . . 119 Lys HD . 17476 1 924 . 1 1 84 84 LYS HD3 H 1 1.503 0.001 . 2 . . . . 119 Lys HD . 17476 1 925 . 1 1 84 84 LYS HE2 H 1 2.824 0.001 . 2 . . . . 119 Lys HE2 . 17476 1 926 . 1 1 84 84 LYS HE3 H 1 2.892 0.001 . 2 . . . . 119 Lys HE3 . 17476 1 927 . 1 1 84 84 LYS C C 13 172.590 0.010 . 1 . . . . 119 Lys CO . 17476 1 928 . 1 1 84 84 LYS CA C 13 54.130 0.010 . 1 . . . . 119 Lys CA . 17476 1 929 . 1 1 84 84 LYS CB C 13 35.780 0.010 . 1 . . . . 119 Lys CB . 17476 1 930 . 1 1 84 84 LYS N N 15 114.350 0.010 . 1 . . . . 119 Lys N . 17476 1 931 . 1 1 85 85 GLU H H 1 7.998 0.001 . 1 . . . . 120 Glu HN . 17476 1 932 . 1 1 85 85 GLU HA H 1 4.718 0.001 . 1 . . . . 120 Glu HA . 17476 1 933 . 1 1 85 85 GLU HB2 H 1 1.814 0.001 . 2 . . . . 120 Glu HB2 . 17476 1 934 . 1 1 85 85 GLU HB3 H 1 1.766 0.001 . 2 . . . . 120 Glu HB3 . 17476 1 935 . 1 1 85 85 GLU HG2 H 1 1.992 0.001 . 2 . . . . 120 Glu HG2 . 17476 1 936 . 1 1 85 85 GLU HG3 H 1 2.718 0.001 . 2 . . . . 120 Glu HG3 . 17476 1 937 . 1 1 85 85 GLU C C 13 176.120 0.010 . 1 . . . . 120 Glu CO . 17476 1 938 . 1 1 85 85 GLU CA C 13 55.610 0.010 . 1 . . . . 120 Glu CA . 17476 1 939 . 1 1 85 85 GLU CB C 13 29.900 0.010 . 1 . . . . 120 Glu CB . 17476 1 940 . 1 1 85 85 GLU N N 15 120.500 0.010 . 1 . . . . 120 Glu N . 17476 1 941 . 1 1 86 86 VAL H H 1 7.920 0.001 . 1 . . . . 121 Val HN . 17476 1 942 . 1 1 86 86 VAL HA H 1 4.349 0.001 . 1 . . . . 121 Val HA . 17476 1 943 . 1 1 86 86 VAL HB H 1 1.937 0.001 . 1 . . . . 121 Val HB . 17476 1 944 . 1 1 86 86 VAL HG11 H 1 0.801 0.001 . 2 . . . . 121 Val HG1 . 17476 1 945 . 1 1 86 86 VAL HG12 H 1 0.801 0.001 . 2 . . . . 121 Val HG1 . 17476 1 946 . 1 1 86 86 VAL HG13 H 1 0.801 0.001 . 2 . . . . 121 Val HG1 . 17476 1 947 . 1 1 86 86 VAL HG21 H 1 0.577 0.001 . 2 . . . . 121 Val HG2 . 17476 1 948 . 1 1 86 86 VAL HG22 H 1 0.577 0.001 . 2 . . . . 121 Val HG2 . 17476 1 949 . 1 1 86 86 VAL HG23 H 1 0.577 0.001 . 2 . . . . 121 Val HG2 . 17476 1 950 . 1 1 86 86 VAL C C 13 173.260 0.010 . 1 . . . . 121 Val CO . 17476 1 951 . 1 1 86 86 VAL CA C 13 59.380 0.010 . 1 . . . . 121 Val CA . 17476 1 952 . 1 1 86 86 VAL CB C 13 34.670 0.010 . 1 . . . . 121 Val CB . 17476 1 953 . 1 1 86 86 VAL CG1 C 13 20.800 0.010 . 1 . . . . 121 Val CG1 . 17476 1 954 . 1 1 86 86 VAL CG2 C 13 19.360 0.010 . 1 . . . . 121 Val CG2 . 17476 1 955 . 1 1 86 86 VAL N N 15 120.290 0.010 . 1 . . . . 121 Val N . 17476 1 956 . 1 1 87 87 PHE H H 1 8.166 0.001 . 1 . . . . 122 Phe HN . 17476 1 957 . 1 1 87 87 PHE HA H 1 4.839 0.001 . 1 . . . . 122 Phe HA . 17476 1 958 . 1 1 87 87 PHE HB2 H 1 2.778 0.001 . 1 . . . . 122 Phe HB2 . 17476 1 959 . 1 1 87 87 PHE HB3 H 1 3.146 0.001 . 1 . . . . 122 Phe HB3 . 17476 1 960 . 1 1 87 87 PHE HD1 H 1 7.259 0.001 . 3 . . . . 122 Phe HD . 17476 1 961 . 1 1 87 87 PHE HD2 H 1 7.259 0.001 . 3 . . . . 122 Phe HD . 17476 1 962 . 1 1 87 87 PHE HE1 H 1 7.268 0.001 . 3 . . . . 122 Phe HE . 17476 1 963 . 1 1 87 87 PHE HE2 H 1 7.268 0.001 . 3 . . . . 122 Phe HE . 17476 1 964 . 1 1 87 87 PHE HZ H 1 7.179 0.001 . 1 . . . . 122 Phe HZ . 17476 1 965 . 1 1 87 87 PHE C C 13 175.530 0.010 . 1 . . . . 122 Phe CO . 17476 1 966 . 1 1 87 87 PHE CA C 13 56.980 0.010 . 1 . . . . 122 Phe CA . 17476 1 967 . 1 1 87 87 PHE CB C 13 40.650 0.010 . 1 . . . . 122 Phe CB . 17476 1 968 . 1 1 87 87 PHE N N 15 119.000 0.010 . 1 . . . . 122 Phe N . 17476 1 969 . 1 1 88 88 LEU H H 1 8.803 0.001 . 1 . . . . 123 Leu HN . 17476 1 970 . 1 1 88 88 LEU HA H 1 4.411 0.001 . 1 . . . . 123 Leu HA . 17476 1 971 . 1 1 88 88 LEU HB2 H 1 1.693 0.001 . 2 . . . . 123 Leu HB2 . 17476 1 972 . 1 1 88 88 LEU HB3 H 1 1.637 0.001 . 2 . . . . 123 Leu HB3 . 17476 1 973 . 1 1 88 88 LEU HG H 1 1.694 0.001 . 1 . . . . 123 Leu HG . 17476 1 974 . 1 1 88 88 LEU HD11 H 1 0.919 0.001 . 2 . . . . 123 Leu HD1 . 17476 1 975 . 1 1 88 88 LEU HD12 H 1 0.919 0.001 . 2 . . . . 123 Leu HD1 . 17476 1 976 . 1 1 88 88 LEU HD13 H 1 0.919 0.001 . 2 . . . . 123 Leu HD1 . 17476 1 977 . 1 1 88 88 LEU HD21 H 1 0.870 0.001 . 2 . . . . 123 Leu HD2 . 17476 1 978 . 1 1 88 88 LEU HD22 H 1 0.870 0.001 . 2 . . . . 123 Leu HD2 . 17476 1 979 . 1 1 88 88 LEU HD23 H 1 0.870 0.001 . 2 . . . . 123 Leu HD2 . 17476 1 980 . 1 1 88 88 LEU C C 13 176.920 0.010 . 1 . . . . 123 Leu CO . 17476 1 981 . 1 1 88 88 LEU CA C 13 54.310 0.010 . 1 . . . . 123 Leu CA . 17476 1 982 . 1 1 88 88 LEU CB C 13 42.620 0.010 . 1 . . . . 123 Leu CB . 17476 1 983 . 1 1 88 88 LEU CD1 C 13 24.750 0.010 . 1 . . . . 123 Leu CD1 . 17476 1 984 . 1 1 88 88 LEU CD2 C 13 23.030 0.010 . 1 . . . . 123 Leu CD2 . 17476 1 985 . 1 1 88 88 LEU N N 15 123.960 0.010 . 1 . . . . 123 Leu N . 17476 1 986 . 1 1 89 89 ASP H H 1 8.436 0.001 . 1 . . . . 124 Asp HN . 17476 1 987 . 1 1 89 89 ASP HA H 1 4.462 0.001 . 1 . . . . 124 Asp HA . 17476 1 988 . 1 1 89 89 ASP HB2 H 1 2.619 0.001 . 2 . . . . 124 Asp HB2 . 17476 1 989 . 1 1 89 89 ASP HB3 H 1 2.700 0.001 . 2 . . . . 124 Asp HB3 . 17476 1 990 . 1 1 89 89 ASP C C 13 176.430 0.010 . 1 . . . . 124 Asp CO . 17476 1 991 . 1 1 89 89 ASP CA C 13 55.180 0.010 . 1 . . . . 124 Asp CA . 17476 1 992 . 1 1 89 89 ASP CB C 13 40.880 0.010 . 1 . . . . 124 Asp CB . 17476 1 993 . 1 1 89 89 ASP N N 15 120.740 0.010 . 1 . . . . 124 Asp N . 17476 1 994 . 1 1 90 90 ARG H H 1 8.015 0.001 . 1 . . . . 125 Arg HN . 17476 1 995 . 1 1 90 90 ARG HA H 1 4.360 0.001 . 1 . . . . 125 Arg HA . 17476 1 996 . 1 1 90 90 ARG HB2 H 1 1.861 0.001 . 2 . . . . 125 Arg HB2 . 17476 1 997 . 1 1 90 90 ARG HB3 H 1 1.717 0.001 . 2 . . . . 125 Arg HB3 . 17476 1 998 . 1 1 90 90 ARG HG2 H 1 1.563 0.001 . 2 . . . . 125 Arg HG . 17476 1 999 . 1 1 90 90 ARG HG3 H 1 1.563 0.001 . 2 . . . . 125 Arg HG . 17476 1 1000 . 1 1 90 90 ARG HD2 H 1 3.154 0.001 . 2 . . . . 125 Arg HD . 17476 1 1001 . 1 1 90 90 ARG HD3 H 1 3.154 0.001 . 2 . . . . 125 Arg HD . 17476 1 1002 . 1 1 90 90 ARG HE H 1 7.257 0.001 . 1 . . . . 125 Arg HE . 17476 1 1003 . 1 1 90 90 ARG C C 13 176.120 0.010 . 1 . . . . 125 Arg CO . 17476 1 1004 . 1 1 90 90 ARG CA C 13 56.050 0.010 . 1 . . . . 125 Arg CA . 17476 1 1005 . 1 1 90 90 ARG CB C 13 30.680 0.010 . 1 . . . . 125 Arg CB . 17476 1 1006 . 1 1 90 90 ARG N N 15 119.320 0.010 . 1 . . . . 125 Arg N . 17476 1 1007 . 1 1 91 91 LYS H H 1 8.310 0.001 . 1 . . . . 126 Lys HN . 17476 1 1008 . 1 1 91 91 LYS HA H 1 4.236 0.001 . 1 . . . . 126 Lys HA . 17476 1 1009 . 1 1 91 91 LYS HB2 H 1 1.751 0.001 . 2 . . . . 126 Lys HB2 . 17476 1 1010 . 1 1 91 91 LYS HB3 H 1 1.808 0.001 . 2 . . . . 126 Lys HB3 . 17476 1 1011 . 1 1 91 91 LYS HG2 H 1 1.460 0.001 . 2 . . . . 126 Lys HG2 . 17476 1 1012 . 1 1 91 91 LYS HG3 H 1 1.419 0.001 . 2 . . . . 126 Lys HG3 . 17476 1 1013 . 1 1 91 91 LYS HD2 H 1 1.655 0.001 . 2 . . . . 126 Lys HD . 17476 1 1014 . 1 1 91 91 LYS HD3 H 1 1.655 0.001 . 2 . . . . 126 Lys HD . 17476 1 1015 . 1 1 91 91 LYS HE2 H 1 2.978 0.001 . 2 . . . . 126 Lys HE . 17476 1 1016 . 1 1 91 91 LYS HE3 H 1 2.978 0.001 . 2 . . . . 126 Lys HE . 17476 1 1017 . 1 1 91 91 LYS C C 13 176.750 0.010 . 1 . . . . 126 Lys CO . 17476 1 1018 . 1 1 91 91 LYS CA C 13 56.720 0.010 . 1 . . . . 126 Lys CA . 17476 1 1019 . 1 1 91 91 LYS CB C 13 32.790 0.010 . 1 . . . . 126 Lys CB . 17476 1 1020 . 1 1 91 91 LYS N N 15 120.600 0.010 . 1 . . . . 126 Lys N . 17476 1 1021 . 1 1 92 92 LEU H H 1 8.310 0.001 . 1 . . . . 127 Leu HN . 17476 1 1022 . 1 1 92 92 LEU HA H 1 4.343 0.001 . 1 . . . . 127 Leu HA . 17476 1 1023 . 1 1 92 92 LEU HB2 H 1 1.513 0.001 . 2 . . . . 127 Leu HB2 . 17476 1 1024 . 1 1 92 92 LEU HB3 H 1 1.677 0.001 . 2 . . . . 127 Leu HB3 . 17476 1 1025 . 1 1 92 92 LEU HG H 1 1.630 0.001 . 1 . . . . 127 Leu HG . 17476 1 1026 . 1 1 92 92 LEU HD11 H 1 0.856 0.001 . 2 . . . . 127 Leu HD1 . 17476 1 1027 . 1 1 92 92 LEU HD12 H 1 0.856 0.001 . 2 . . . . 127 Leu HD1 . 17476 1 1028 . 1 1 92 92 LEU HD13 H 1 0.856 0.001 . 2 . . . . 127 Leu HD1 . 17476 1 1029 . 1 1 92 92 LEU HD21 H 1 0.806 0.001 . 2 . . . . 127 Leu HD2 . 17476 1 1030 . 1 1 92 92 LEU HD22 H 1 0.806 0.001 . 2 . . . . 127 Leu HD2 . 17476 1 1031 . 1 1 92 92 LEU HD23 H 1 0.806 0.001 . 2 . . . . 127 Leu HD2 . 17476 1 1032 . 1 1 92 92 LEU C C 13 177.240 0.010 . 1 . . . . 127 Leu CO . 17476 1 1033 . 1 1 92 92 LEU CA C 13 55.270 0.010 . 1 . . . . 127 Leu CA . 17476 1 1034 . 1 1 92 92 LEU CB C 13 42.570 0.010 . 1 . . . . 127 Leu CB . 17476 1 1035 . 1 1 92 92 LEU CD1 C 13 24.450 0.010 . 1 . . . . 127 Leu CD1 . 17476 1 1036 . 1 1 92 92 LEU CD2 C 13 22.950 0.010 . 1 . . . . 127 Leu CD2 . 17476 1 1037 . 1 1 92 92 LEU N N 15 121.730 0.010 . 1 . . . . 127 Leu N . 17476 1 1038 . 1 1 93 93 GLY H H 1 8.323 0.001 . 1 . . . . 128 Gly HN . 17476 1 1039 . 1 1 93 93 GLY HA2 H 1 3.926 0.001 . 2 . . . . 128 Gly HA2 . 17476 1 1040 . 1 1 93 93 GLY HA3 H 1 3.982 0.001 . 2 . . . . 128 Gly HA3 . 17476 1 1041 . 1 1 93 93 GLY C C 13 174.160 0.010 . 1 . . . . 128 Gly CO . 17476 1 1042 . 1 1 93 93 GLY CA C 13 45.400 0.010 . 1 . . . . 128 Gly CA . 17476 1 1043 . 1 1 93 93 GLY N N 15 109.190 0.010 . 1 . . . . 128 Gly N . 17476 1 1044 . 1 1 94 94 THR H H 1 8.018 0.001 . 1 . . . . 129 Thr HN . 17476 1 1045 . 1 1 94 94 THR HA H 1 4.341 0.001 . 1 . . . . 129 Thr HA . 17476 1 1046 . 1 1 94 94 THR HB H 1 4.261 0.001 . 1 . . . . 129 Thr HB . 17476 1 1047 . 1 1 94 94 THR HG21 H 1 1.161 0.001 . 1 . . . . 129 Thr HG2 . 17476 1 1048 . 1 1 94 94 THR HG22 H 1 1.161 0.001 . 1 . . . . 129 Thr HG2 . 17476 1 1049 . 1 1 94 94 THR HG23 H 1 1.161 0.001 . 1 . . . . 129 Thr HG2 . 17476 1 1050 . 1 1 94 94 THR C C 13 174.430 0.010 . 1 . . . . 129 Thr CO . 17476 1 1051 . 1 1 94 94 THR CA C 13 61.760 0.010 . 1 . . . . 129 Thr CA . 17476 1 1052 . 1 1 94 94 THR CB C 13 69.980 0.010 . 1 . . . . 129 Thr CB . 17476 1 1053 . 1 1 94 94 THR CG2 C 13 21.140 0.010 . 1 . . . . 129 Thr CG2 . 17476 1 1054 . 1 1 94 94 THR N N 15 112.930 0.010 . 1 . . . . 129 Thr N . 17476 1 1055 . 1 1 95 95 GLN H H 1 8.234 0.001 . 1 . . . . 130 Gln HN . 17476 1 1056 . 1 1 95 95 GLN HA H 1 4.148 0.001 . 1 . . . . 130 Gln HA . 17476 1 1057 . 1 1 95 95 GLN HB2 H 1 1.922 0.001 . 2 . . . . 130 Gln HB2 . 17476 1 1058 . 1 1 95 95 GLN HB3 H 1 2.088 0.001 . 2 . . . . 130 Gln HB3 . 17476 1 1059 . 1 1 95 95 GLN HG2 H 1 2.284 0.001 . 2 . . . . 130 Gln HG . 17476 1 1060 . 1 1 95 95 GLN HG3 H 1 2.284 0.001 . 2 . . . . 130 Gln HG . 17476 1 1061 . 1 1 95 95 GLN HE21 H 1 6.822 0.001 . 1 . . . . 130 Gln HE21 . 17476 1 1062 . 1 1 95 95 GLN HE22 H 1 7.532 0.001 . 1 . . . . 130 Gln HE22 . 17476 1 1063 . 1 1 95 95 GLN C C 13 173.910 0.010 . 1 . . . . 130 Gln CO . 17476 1 1064 . 1 1 95 95 GLN CA C 13 53.830 0.010 . 1 . . . . 130 Gln CA . 17476 1 1065 . 1 1 95 95 GLN CB C 13 29.080 0.010 . 1 . . . . 130 Gln CB . 17476 1 1066 . 1 1 95 95 GLN N N 15 123.280 0.010 . 1 . . . . 130 Gln N . 17476 1 stop_ save_