data_25401 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25401 _Entry.Title ; 1H, 15N 13C Chemical shift assignments for CCL28 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-12-19 _Entry.Accession_date 2014-12-19 _Entry.Last_release_date 2015-01-20 _Entry.Original_release_date 2015-01-20 _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 Monica Thomas . . . 25401 2 Francis Peterson . . . 25401 3 Brian Volkman . . . 25401 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25401 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 434 25401 '1H chemical shifts' 698 25401 '15N chemical shifts' 110 25401 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 . . 2015-01-20 2014-12-19 original author . 25401 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25401 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structure-function analysis of CCL28 in post viral asthma' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Monica Thomas . A. . 25401 1 2 Becky Buelow . J. . 25401 1 3 Amanda Nevins . M. . 25401 1 4 Stephanie Jones . E. . 25401 1 5 Francis Peterson . C. . 25401 1 6 Rebekah Gundry . L. . 25401 1 7 Mitchell Grayson . H. . 25401 1 8 Brian Volkman . F. . 25401 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 25401 1 CCL28 25401 1 Asthma 25401 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25401 _Assembly.ID 1 _Assembly.Name CCL28 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CCL28 1 $CCL28 A . yes native no no . . . 25401 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CCL28 _Entity.Sf_category entity _Entity.Sf_framecode CCL28 _Entity.Entry_ID 25401 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CCL28 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SEAILPIASSCCTEVSHHIS RRLLERVNMCRIQRADGDCD LAAVILHVKRRRICVSPHNH TVKQWMKVQAAKKNGKGNVC HRKKHHGKRNSNRAHQGKHE TYGHKTPY ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 DBJ BAG35056 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 3.44e-72 . . . . 25401 1 2 no DBJ BAJ20648 . "chemokine (C-C motif) ligand 28 [synthetic construct]" . . . . . 100.00 127 100.00 100.00 3.44e-72 . . . . 25401 1 3 no GB AAF87205 . "CC chemokine CCL28 [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 3.44e-72 . . . . 25401 1 4 no GB AAG16691 . "mucosae-associated epithelial chemokine [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 3.44e-72 . . . . 25401 1 5 no GB AAG43193 . "CCK1 protein [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 3.44e-72 . . . . 25401 1 6 no GB AAH62668 . "Chemokine (C-C motif) ligand 28 [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 3.44e-72 . . . . 25401 1 7 no GB AAH69532 . "CCL28 protein [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 3.44e-72 . . . . 25401 1 8 no REF NP_001288802 . "C-C motif chemokine 28 isoform a precursor [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 3.44e-72 . . . . 25401 1 9 no REF NP_001288803 . "C-C motif chemokine 28 isoform a precursor [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 3.44e-72 . . . . 25401 1 10 no REF NP_001288804 . "C-C motif chemokine 28 isoform b [Homo sapiens]" . . . . . 74.07 80 100.00 100.00 1.69e-50 . . . . 25401 1 11 no REF NP_683513 . "C-C motif chemokine 28 isoform a precursor [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 3.44e-72 . . . . 25401 1 12 no REF XP_001135733 . "PREDICTED: C-C motif chemokine 28 isoform X1 [Pan troglodytes]" . . . . . 100.00 127 100.00 100.00 3.44e-72 . . . . 25401 1 13 no SP Q9NRJ3 . "RecName: Full=C-C motif chemokine 28; AltName: Full=Mucosae-associated epithelial chemokine; Short=MEC; AltName: Full=Protein C" . . . . . 100.00 127 100.00 100.00 3.44e-72 . . . . 25401 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 . SER . 25401 1 2 . GLU . 25401 1 3 . ALA . 25401 1 4 . ILE . 25401 1 5 . LEU . 25401 1 6 . PRO . 25401 1 7 . ILE . 25401 1 8 . ALA . 25401 1 9 . SER . 25401 1 10 . SER . 25401 1 11 . CYS . 25401 1 12 . CYS . 25401 1 13 . THR . 25401 1 14 . GLU . 25401 1 15 . VAL . 25401 1 16 . SER . 25401 1 17 . HIS . 25401 1 18 . HIS . 25401 1 19 . ILE . 25401 1 20 . SER . 25401 1 21 . ARG . 25401 1 22 . ARG . 25401 1 23 . LEU . 25401 1 24 . LEU . 25401 1 25 . GLU . 25401 1 26 . ARG . 25401 1 27 . VAL . 25401 1 28 . ASN . 25401 1 29 . MET . 25401 1 30 . CYS . 25401 1 31 . ARG . 25401 1 32 . ILE . 25401 1 33 . GLN . 25401 1 34 . ARG . 25401 1 35 . ALA . 25401 1 36 . ASP . 25401 1 37 . GLY . 25401 1 38 . ASP . 25401 1 39 . CYS . 25401 1 40 . ASP . 25401 1 41 . LEU . 25401 1 42 . ALA . 25401 1 43 . ALA . 25401 1 44 . VAL . 25401 1 45 . ILE . 25401 1 46 . LEU . 25401 1 47 . HIS . 25401 1 48 . VAL . 25401 1 49 . LYS . 25401 1 50 . ARG . 25401 1 51 . ARG . 25401 1 52 . ARG . 25401 1 53 . ILE . 25401 1 54 . CYS . 25401 1 55 . VAL . 25401 1 56 . SER . 25401 1 57 . PRO . 25401 1 58 . HIS . 25401 1 59 . ASN . 25401 1 60 . HIS . 25401 1 61 . THR . 25401 1 62 . VAL . 25401 1 63 . LYS . 25401 1 64 . GLN . 25401 1 65 . TRP . 25401 1 66 . MET . 25401 1 67 . LYS . 25401 1 68 . VAL . 25401 1 69 . GLN . 25401 1 70 . ALA . 25401 1 71 . ALA . 25401 1 72 . LYS . 25401 1 73 . LYS . 25401 1 74 . ASN . 25401 1 75 . GLY . 25401 1 76 . LYS . 25401 1 77 . GLY . 25401 1 78 . ASN . 25401 1 79 . VAL . 25401 1 80 . CYS . 25401 1 81 . HIS . 25401 1 82 . ARG . 25401 1 83 . LYS . 25401 1 84 . LYS . 25401 1 85 . HIS . 25401 1 86 . HIS . 25401 1 87 . GLY . 25401 1 88 . LYS . 25401 1 89 . ARG . 25401 1 90 . ASN . 25401 1 91 . SER . 25401 1 92 . ASN . 25401 1 93 . ARG . 25401 1 94 . ALA . 25401 1 95 . HIS . 25401 1 96 . GLN . 25401 1 97 . GLY . 25401 1 98 . LYS . 25401 1 99 . HIS . 25401 1 100 . GLU . 25401 1 101 . THR . 25401 1 102 . TYR . 25401 1 103 . GLY . 25401 1 104 . HIS . 25401 1 105 . LYS . 25401 1 106 . THR . 25401 1 107 . PRO . 25401 1 108 . TYR . 25401 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 . SER 1 1 25401 1 . GLU 2 2 25401 1 . ALA 3 3 25401 1 . ILE 4 4 25401 1 . LEU 5 5 25401 1 . PRO 6 6 25401 1 . ILE 7 7 25401 1 . ALA 8 8 25401 1 . SER 9 9 25401 1 . SER 10 10 25401 1 . CYS 11 11 25401 1 . CYS 12 12 25401 1 . THR 13 13 25401 1 . GLU 14 14 25401 1 . VAL 15 15 25401 1 . SER 16 16 25401 1 . HIS 17 17 25401 1 . HIS 18 18 25401 1 . ILE 19 19 25401 1 . SER 20 20 25401 1 . ARG 21 21 25401 1 . ARG 22 22 25401 1 . LEU 23 23 25401 1 . LEU 24 24 25401 1 . GLU 25 25 25401 1 . ARG 26 26 25401 1 . VAL 27 27 25401 1 . ASN 28 28 25401 1 . MET 29 29 25401 1 . CYS 30 30 25401 1 . ARG 31 31 25401 1 . ILE 32 32 25401 1 . GLN 33 33 25401 1 . ARG 34 34 25401 1 . ALA 35 35 25401 1 . ASP 36 36 25401 1 . GLY 37 37 25401 1 . ASP 38 38 25401 1 . CYS 39 39 25401 1 . ASP 40 40 25401 1 . LEU 41 41 25401 1 . ALA 42 42 25401 1 . ALA 43 43 25401 1 . VAL 44 44 25401 1 . ILE 45 45 25401 1 . LEU 46 46 25401 1 . HIS 47 47 25401 1 . VAL 48 48 25401 1 . LYS 49 49 25401 1 . ARG 50 50 25401 1 . ARG 51 51 25401 1 . ARG 52 52 25401 1 . ILE 53 53 25401 1 . CYS 54 54 25401 1 . VAL 55 55 25401 1 . SER 56 56 25401 1 . PRO 57 57 25401 1 . HIS 58 58 25401 1 . ASN 59 59 25401 1 . HIS 60 60 25401 1 . THR 61 61 25401 1 . VAL 62 62 25401 1 . LYS 63 63 25401 1 . GLN 64 64 25401 1 . TRP 65 65 25401 1 . MET 66 66 25401 1 . LYS 67 67 25401 1 . VAL 68 68 25401 1 . GLN 69 69 25401 1 . ALA 70 70 25401 1 . ALA 71 71 25401 1 . LYS 72 72 25401 1 . LYS 73 73 25401 1 . ASN 74 74 25401 1 . GLY 75 75 25401 1 . LYS 76 76 25401 1 . GLY 77 77 25401 1 . ASN 78 78 25401 1 . VAL 79 79 25401 1 . CYS 80 80 25401 1 . HIS 81 81 25401 1 . ARG 82 82 25401 1 . LYS 83 83 25401 1 . LYS 84 84 25401 1 . HIS 85 85 25401 1 . HIS 86 86 25401 1 . GLY 87 87 25401 1 . LYS 88 88 25401 1 . ARG 89 89 25401 1 . ASN 90 90 25401 1 . SER 91 91 25401 1 . ASN 92 92 25401 1 . ARG 93 93 25401 1 . ALA 94 94 25401 1 . HIS 95 95 25401 1 . GLN 96 96 25401 1 . GLY 97 97 25401 1 . LYS 98 98 25401 1 . HIS 99 99 25401 1 . GLU 100 100 25401 1 . THR 101 101 25401 1 . TYR 102 102 25401 1 . GLY 103 103 25401 1 . HIS 104 104 25401 1 . LYS 105 105 25401 1 . THR 106 106 25401 1 . PRO 107 107 25401 1 . TYR 108 108 25401 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 25401 _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 $CCL28 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25401 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 25401 _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 $CCL28 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28 . . . . . . 25401 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25401 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 CCL28 '[U-99% 13C; U-99% 15N]' . . 1 $CCL28 . . 1 . . mM . . . . 25401 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25401 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 25401 1 4 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 25401 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 25401 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 298 . K 25401 1 pH 6.2 . pH 25401 1 pressure 1 . atm 25401 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25401 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25401 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25401 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25401 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25401 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25401 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25401 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25401 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25401 3 'chemical shift assignment' 25401 3 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 25401 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25401 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 25401 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 25401 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25401 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25401 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25401 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 25401 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25401 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25401 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25401 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 25401 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 25401 1 2 '3D 1H-13C NOESY aliphatic' . . . 25401 1 3 '3D 1H-13C NOESY aromatic' . . . 25401 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 SER C C 13 179.311 0.1 . . . . . . 1 SER C . 25401 1 2 . 1 1 2 2 GLU H H 1 7.767 0.02 . . . . . . 2 GLU H . 25401 1 3 . 1 1 2 2 GLU HA H 1 4.295 0.02 . . . . . . 2 GLU HA . 25401 1 4 . 1 1 2 2 GLU HB2 H 1 2.037 0.02 . . . . . . 2 GLU HB2 . 25401 1 5 . 1 1 2 2 GLU HB3 H 1 1.878 0.02 . . . . . . 2 GLU HB3 . 25401 1 6 . 1 1 2 2 GLU HG2 H 1 2.234 0.02 . . . . . . 2 GLU QG . 25401 1 7 . 1 1 2 2 GLU HG3 H 1 2.234 0.02 . . . . . . 2 GLU QG . 25401 1 8 . 1 1 2 2 GLU C C 13 175.896 0.1 . . . . . . 2 GLU C . 25401 1 9 . 1 1 2 2 GLU CA C 13 56.552 0.1 . . . . . . 2 GLU CA . 25401 1 10 . 1 1 2 2 GLU CB C 13 30.861 0.1 . . . . . . 2 GLU CB . 25401 1 11 . 1 1 2 2 GLU CG C 13 36.413 0.1 . . . . . . 2 GLU CG . 25401 1 12 . 1 1 2 2 GLU N N 15 120.156 0.1 . . . . . . 2 GLU N . 25401 1 13 . 1 1 3 3 ALA H H 1 8.369 0.02 . . . . . . 3 ALA H . 25401 1 14 . 1 1 3 3 ALA HA H 1 4.264 0.02 . . . . . . 3 ALA HA . 25401 1 15 . 1 1 3 3 ALA HB1 H 1 1.279 0.02 . . . . . . 3 ALA HB . 25401 1 16 . 1 1 3 3 ALA HB2 H 1 1.279 0.02 . . . . . . 3 ALA HB . 25401 1 17 . 1 1 3 3 ALA HB3 H 1 1.279 0.02 . . . . . . 3 ALA HB . 25401 1 18 . 1 1 3 3 ALA C C 13 177.121 0.1 . . . . . . 3 ALA C . 25401 1 19 . 1 1 3 3 ALA CA C 13 52.544 0.1 . . . . . . 3 ALA CA . 25401 1 20 . 1 1 3 3 ALA CB C 13 19.500 0.1 . . . . . . 3 ALA CB . 25401 1 21 . 1 1 3 3 ALA N N 15 125.971 0.1 . . . . . . 3 ALA N . 25401 1 22 . 1 1 4 4 ILE H H 1 8.161 0.02 . . . . . . 4 ILE H . 25401 1 23 . 1 1 4 4 ILE HA H 1 4.168 0.02 . . . . . . 4 ILE HA . 25401 1 24 . 1 1 4 4 ILE HB H 1 1.780 0.02 . . . . . . 4 ILE HB . 25401 1 25 . 1 1 4 4 ILE HG12 H 1 1.416 0.02 . . . . . . 4 ILE HG12 . 25401 1 26 . 1 1 4 4 ILE HG13 H 1 1.126 0.02 . . . . . . 4 ILE HG13 . 25401 1 27 . 1 1 4 4 ILE HG21 H 1 0.814 0.02 . . . . . . 4 ILE QG2 . 25401 1 28 . 1 1 4 4 ILE HG22 H 1 0.814 0.02 . . . . . . 4 ILE QG2 . 25401 1 29 . 1 1 4 4 ILE HG23 H 1 0.814 0.02 . . . . . . 4 ILE QG2 . 25401 1 30 . 1 1 4 4 ILE HD11 H 1 0.782 0.02 . . . . . . 4 ILE QD1 . 25401 1 31 . 1 1 4 4 ILE HD12 H 1 0.782 0.02 . . . . . . 4 ILE QD1 . 25401 1 32 . 1 1 4 4 ILE HD13 H 1 0.782 0.02 . . . . . . 4 ILE QD1 . 25401 1 33 . 1 1 4 4 ILE C C 13 176.111 0.1 . . . . . . 4 ILE C . 25401 1 34 . 1 1 4 4 ILE CA C 13 60.986 0.1 . . . . . . 4 ILE CA . 25401 1 35 . 1 1 4 4 ILE CB C 13 39.277 0.1 . . . . . . 4 ILE CB . 25401 1 36 . 1 1 4 4 ILE CG1 C 13 27.711 0.1 . . . . . . 4 ILE CG1 . 25401 1 37 . 1 1 4 4 ILE CG2 C 13 17.796 0.1 . . . . . . 4 ILE CG2 . 25401 1 38 . 1 1 4 4 ILE CD1 C 13 12.939 0.1 . . . . . . 4 ILE CD1 . 25401 1 39 . 1 1 4 4 ILE N N 15 121.000 0.1 . . . . . . 4 ILE N . 25401 1 40 . 1 1 5 5 LEU H H 1 8.274 0.02 . . . . . . 5 LEU H . 25401 1 41 . 1 1 5 5 LEU C C 13 175.112 0.1 . . . . . . 5 LEU C . 25401 1 42 . 1 1 5 5 LEU N N 15 128.377 0.1 . . . . . . 5 LEU N . 25401 1 43 . 1 1 6 6 PRO HA H 1 4.393 0.02 . . . . . . 6 PRO HA . 25401 1 44 . 1 1 6 6 PRO HB2 H 1 2.221 0.02 . . . . . . 6 PRO HB2 . 25401 1 45 . 1 1 6 6 PRO HB3 H 1 1.840 0.02 . . . . . . 6 PRO HB3 . 25401 1 46 . 1 1 6 6 PRO HG2 H 1 1.966 0.02 . . . . . . 6 PRO QG . 25401 1 47 . 1 1 6 6 PRO HG3 H 1 1.966 0.02 . . . . . . 6 PRO QG . 25401 1 48 . 1 1 6 6 PRO HD2 H 1 3.859 0.02 . . . . . . 6 PRO HD2 . 25401 1 49 . 1 1 6 6 PRO HD3 H 1 3.598 0.02 . . . . . . 6 PRO HD3 . 25401 1 50 . 1 1 6 6 PRO C C 13 177.103 0.1 . . . . . . 6 PRO C . 25401 1 51 . 1 1 6 6 PRO CA C 13 63.086 0.1 . . . . . . 6 PRO CA . 25401 1 52 . 1 1 6 6 PRO CB C 13 32.161 0.1 . . . . . . 6 PRO CB . 25401 1 53 . 1 1 6 6 PRO CG C 13 27.631 0.1 . . . . . . 6 PRO CG . 25401 1 54 . 1 1 6 6 PRO CD C 13 50.931 0.1 . . . . . . 6 PRO CD . 25401 1 55 . 1 1 7 7 ILE H H 1 8.077 0.02 . . . . . . 7 ILE H . 25401 1 56 . 1 1 7 7 ILE HA H 1 4.035 0.02 . . . . . . 7 ILE HA . 25401 1 57 . 1 1 7 7 ILE HB H 1 1.774 0.02 . . . . . . 7 ILE HB . 25401 1 58 . 1 1 7 7 ILE HG12 H 1 1.424 0.02 . . . . . . 7 ILE HG12 . 25401 1 59 . 1 1 7 7 ILE HG13 H 1 1.128 0.02 . . . . . . 7 ILE HG13 . 25401 1 60 . 1 1 7 7 ILE HG21 H 1 0.844 0.02 . . . . . . 7 ILE QG2 . 25401 1 61 . 1 1 7 7 ILE HG22 H 1 0.844 0.02 . . . . . . 7 ILE QG2 . 25401 1 62 . 1 1 7 7 ILE HG23 H 1 0.844 0.02 . . . . . . 7 ILE QG2 . 25401 1 63 . 1 1 7 7 ILE HD11 H 1 0.785 0.02 . . . . . . 7 ILE QD1 . 25401 1 64 . 1 1 7 7 ILE HD12 H 1 0.785 0.02 . . . . . . 7 ILE QD1 . 25401 1 65 . 1 1 7 7 ILE HD13 H 1 0.785 0.02 . . . . . . 7 ILE QD1 . 25401 1 66 . 1 1 7 7 ILE C C 13 176.448 0.1 . . . . . . 7 ILE C . 25401 1 67 . 1 1 7 7 ILE CA C 13 61.620 0.1 . . . . . . 7 ILE CA . 25401 1 68 . 1 1 7 7 ILE CB C 13 38.928 0.1 . . . . . . 7 ILE CB . 25401 1 69 . 1 1 7 7 ILE CG1 C 13 27.948 0.1 . . . . . . 7 ILE CG1 . 25401 1 70 . 1 1 7 7 ILE CG2 C 13 17.607 0.1 . . . . . . 7 ILE CG2 . 25401 1 71 . 1 1 7 7 ILE CD1 C 13 13.502 0.1 . . . . . . 7 ILE CD1 . 25401 1 72 . 1 1 7 7 ILE N N 15 121.013 0.1 . . . . . . 7 ILE N . 25401 1 73 . 1 1 8 8 ALA H H 1 8.323 0.02 . . . . . . 8 ALA H . 25401 1 74 . 1 1 8 8 ALA HA H 1 4.279 0.02 . . . . . . 8 ALA HA . 25401 1 75 . 1 1 8 8 ALA HB1 H 1 1.347 0.02 . . . . . . 8 ALA HB . 25401 1 76 . 1 1 8 8 ALA HB2 H 1 1.347 0.02 . . . . . . 8 ALA HB . 25401 1 77 . 1 1 8 8 ALA HB3 H 1 1.347 0.02 . . . . . . 8 ALA HB . 25401 1 78 . 1 1 8 8 ALA C C 13 177.792 0.1 . . . . . . 8 ALA C . 25401 1 79 . 1 1 8 8 ALA CA C 13 52.973 0.1 . . . . . . 8 ALA CA . 25401 1 80 . 1 1 8 8 ALA CB C 13 19.500 0.1 . . . . . . 8 ALA CB . 25401 1 81 . 1 1 8 8 ALA N N 15 127.259 0.1 . . . . . . 8 ALA N . 25401 1 82 . 1 1 9 9 SER H H 1 8.202 0.02 . . . . . . 9 SER H . 25401 1 83 . 1 1 9 9 SER HA H 1 4.400 0.02 . . . . . . 9 SER HA . 25401 1 84 . 1 1 9 9 SER HB2 H 1 3.768 0.02 . . . . . . 9 SER QB . 25401 1 85 . 1 1 9 9 SER HB3 H 1 3.768 0.02 . . . . . . 9 SER QB . 25401 1 86 . 1 1 9 9 SER C C 13 174.598 0.1 . . . . . . 9 SER C . 25401 1 87 . 1 1 9 9 SER CA C 13 58.427 0.1 . . . . . . 9 SER CA . 25401 1 88 . 1 1 9 9 SER CB C 13 64.426 0.1 . . . . . . 9 SER CB . 25401 1 89 . 1 1 9 9 SER N N 15 114.681 0.1 . . . . . . 9 SER N . 25401 1 90 . 1 1 10 10 SER H H 1 8.183 0.02 . . . . . . 10 SER H . 25401 1 91 . 1 1 10 10 SER HA H 1 4.439 0.02 . . . . . . 10 SER HA . 25401 1 92 . 1 1 10 10 SER HB2 H 1 3.834 0.02 . . . . . . 10 SER QB . 25401 1 93 . 1 1 10 10 SER HB3 H 1 3.834 0.02 . . . . . . 10 SER QB . 25401 1 94 . 1 1 10 10 SER C C 13 174.951 0.1 . . . . . . 10 SER C . 25401 1 95 . 1 1 10 10 SER CA C 13 58.500 0.1 . . . . . . 10 SER CA . 25401 1 96 . 1 1 10 10 SER CB C 13 64.435 0.1 . . . . . . 10 SER CB . 25401 1 97 . 1 1 10 10 SER N N 15 117.843 0.1 . . . . . . 10 SER N . 25401 1 98 . 1 1 11 11 CYS H H 1 8.369 0.02 . . . . . . 11 CYS H . 25401 1 99 . 1 1 11 11 CYS HA H 1 4.484 0.02 . . . . . . 11 CYS HA . 25401 1 100 . 1 1 11 11 CYS HB2 H 1 2.918 0.02 . . . . . . 11 CYS HB2 . 25401 1 101 . 1 1 11 11 CYS HB3 H 1 2.655 0.02 . . . . . . 11 CYS HB3 . 25401 1 102 . 1 1 11 11 CYS C C 13 176.354 0.1 . . . . . . 11 CYS C . 25401 1 103 . 1 1 11 11 CYS CA C 13 55.463 0.1 . . . . . . 11 CYS CA . 25401 1 104 . 1 1 11 11 CYS CB C 13 40.573 0.1 . . . . . . 11 CYS CB . 25401 1 105 . 1 1 11 11 CYS N N 15 119.667 0.1 . . . . . . 11 CYS N . 25401 1 106 . 1 1 12 12 CYS H H 1 10.180 0.02 . . . . . . 12 CYS H . 25401 1 107 . 1 1 12 12 CYS HA H 1 4.627 0.02 . . . . . . 12 CYS HA . 25401 1 108 . 1 1 12 12 CYS HB2 H 1 2.706 0.02 . . . . . . 12 CYS HB2 . 25401 1 109 . 1 1 12 12 CYS HB3 H 1 2.836 0.02 . . . . . . 12 CYS HB3 . 25401 1 110 . 1 1 12 12 CYS C C 13 176.262 0.1 . . . . . . 12 CYS C . 25401 1 111 . 1 1 12 12 CYS CA C 13 57.644 0.1 . . . . . . 12 CYS CA . 25401 1 112 . 1 1 12 12 CYS CB C 13 42.226 0.1 . . . . . . 12 CYS CB . 25401 1 113 . 1 1 12 12 CYS N N 15 123.195 0.1 . . . . . . 12 CYS N . 25401 1 114 . 1 1 13 13 THR H H 1 9.080 0.02 . . . . . . 13 THR H . 25401 1 115 . 1 1 13 13 THR HA H 1 4.270 0.02 . . . . . . 13 THR HA . 25401 1 116 . 1 1 13 13 THR HB H 1 4.394 0.02 . . . . . . 13 THR HB . 25401 1 117 . 1 1 13 13 THR HG21 H 1 1.092 0.02 . . . . . . 13 THR QG2 . 25401 1 118 . 1 1 13 13 THR HG22 H 1 1.092 0.02 . . . . . . 13 THR QG2 . 25401 1 119 . 1 1 13 13 THR HG23 H 1 1.092 0.02 . . . . . . 13 THR QG2 . 25401 1 120 . 1 1 13 13 THR C C 13 173.182 0.1 . . . . . . 13 THR C . 25401 1 121 . 1 1 13 13 THR CA C 13 62.340 0.1 . . . . . . 13 THR CA . 25401 1 122 . 1 1 13 13 THR CB C 13 69.394 0.1 . . . . . . 13 THR CB . 25401 1 123 . 1 1 13 13 THR CG2 C 13 21.815 0.1 . . . . . . 13 THR CG2 . 25401 1 124 . 1 1 13 13 THR N N 15 116.471 0.1 . . . . . . 13 THR N . 25401 1 125 . 1 1 14 14 GLU H H 1 7.607 0.02 . . . . . . 14 GLU H . 25401 1 126 . 1 1 14 14 GLU HA H 1 4.463 0.02 . . . . . . 14 GLU HA . 25401 1 127 . 1 1 14 14 GLU HB2 H 1 1.999 0.02 . . . . . . 14 GLU HB2 . 25401 1 128 . 1 1 14 14 GLU HB3 H 1 1.885 0.02 . . . . . . 14 GLU HB3 . 25401 1 129 . 1 1 14 14 GLU HG2 H 1 2.117 0.02 . . . . . . 14 GLU QG . 25401 1 130 . 1 1 14 14 GLU HG3 H 1 2.117 0.02 . . . . . . 14 GLU QG . 25401 1 131 . 1 1 14 14 GLU C C 13 174.349 0.1 . . . . . . 14 GLU C . 25401 1 132 . 1 1 14 14 GLU CA C 13 55.141 0.1 . . . . . . 14 GLU CA . 25401 1 133 . 1 1 14 14 GLU CB C 13 32.122 0.1 . . . . . . 14 GLU CB . 25401 1 134 . 1 1 14 14 GLU CG C 13 35.705 0.1 . . . . . . 14 GLU CG . 25401 1 135 . 1 1 14 14 GLU N N 15 121.584 0.1 . . . . . . 14 GLU N . 25401 1 136 . 1 1 15 15 VAL H H 1 8.260 0.02 . . . . . . 15 VAL H . 25401 1 137 . 1 1 15 15 VAL HA H 1 4.323 0.02 . . . . . . 15 VAL HA . 25401 1 138 . 1 1 15 15 VAL HB H 1 1.766 0.02 . . . . . . 15 VAL HB . 25401 1 139 . 1 1 15 15 VAL HG11 H 1 0.655 0.02 . . . . . . 15 VAL QG1 . 25401 1 140 . 1 1 15 15 VAL HG12 H 1 0.655 0.02 . . . . . . 15 VAL QG1 . 25401 1 141 . 1 1 15 15 VAL HG13 H 1 0.655 0.02 . . . . . . 15 VAL QG1 . 25401 1 142 . 1 1 15 15 VAL HG21 H 1 0.672 0.02 . . . . . . 15 VAL QG2 . 25401 1 143 . 1 1 15 15 VAL HG22 H 1 0.672 0.02 . . . . . . 15 VAL QG2 . 25401 1 144 . 1 1 15 15 VAL HG23 H 1 0.672 0.02 . . . . . . 15 VAL QG2 . 25401 1 145 . 1 1 15 15 VAL C C 13 175.428 0.1 . . . . . . 15 VAL C . 25401 1 146 . 1 1 15 15 VAL CA C 13 59.765 0.1 . . . . . . 15 VAL CA . 25401 1 147 . 1 1 15 15 VAL CB C 13 35.196 0.1 . . . . . . 15 VAL CB . 25401 1 148 . 1 1 15 15 VAL CG1 C 13 19.410 0.1 . . . . . . 15 VAL CG1 . 25401 1 149 . 1 1 15 15 VAL CG2 C 13 22.652 0.1 . . . . . . 15 VAL CG2 . 25401 1 150 . 1 1 15 15 VAL N N 15 114.642 0.1 . . . . . . 15 VAL N . 25401 1 151 . 1 1 16 16 SER H H 1 8.612 0.02 . . . . . . 16 SER H . 25401 1 152 . 1 1 16 16 SER HA H 1 4.565 0.02 . . . . . . 16 SER HA . 25401 1 153 . 1 1 16 16 SER HB2 H 1 3.777 0.02 . . . . . . 16 SER QB . 25401 1 154 . 1 1 16 16 SER HB3 H 1 3.777 0.02 . . . . . . 16 SER QB . 25401 1 155 . 1 1 16 16 SER C C 13 176.602 0.1 . . . . . . 16 SER C . 25401 1 156 . 1 1 16 16 SER CA C 13 57.721 0.1 . . . . . . 16 SER CA . 25401 1 157 . 1 1 16 16 SER CB C 13 64.701 0.1 . . . . . . 16 SER CB . 25401 1 158 . 1 1 16 16 SER N N 15 117.819 0.1 . . . . . . 16 SER N . 25401 1 159 . 1 1 17 17 HIS H H 1 8.118 0.02 . . . . . . 17 HIS H . 25401 1 160 . 1 1 17 17 HIS C C 13 174.764 0.1 . . . . . . 17 HIS C . 25401 1 161 . 1 1 17 17 HIS N N 15 117.587 0.1 . . . . . . 17 HIS N . 25401 1 162 . 1 1 18 18 HIS H H 1 7.889 0.02 . . . . . . 18 HIS H . 25401 1 163 . 1 1 18 18 HIS HA H 1 4.766 0.02 . . . . . . 18 HIS HA . 25401 1 164 . 1 1 18 18 HIS HB2 H 1 2.991 0.02 . . . . . . 18 HIS HB2 . 25401 1 165 . 1 1 18 18 HIS HB3 H 1 2.925 0.02 . . . . . . 18 HIS HB3 . 25401 1 166 . 1 1 18 18 HIS HD2 H 1 7.007 0.02 . . . . . . 18 HIS HD2 . 25401 1 167 . 1 1 18 18 HIS C C 13 173.351 0.1 . . . . . . 18 HIS C . 25401 1 168 . 1 1 18 18 HIS CA C 13 55.649 0.1 . . . . . . 18 HIS CA . 25401 1 169 . 1 1 18 18 HIS CB C 13 32.803 0.1 . . . . . . 18 HIS CB . 25401 1 170 . 1 1 18 18 HIS CD2 C 13 119.882 0.1 . . . . . . 18 HIS CD2 . 25401 1 171 . 1 1 18 18 HIS N N 15 118.529 0.1 . . . . . . 18 HIS N . 25401 1 172 . 1 1 19 19 ILE H H 1 7.934 0.02 . . . . . . 19 ILE H . 25401 1 173 . 1 1 19 19 ILE HA H 1 4.298 0.02 . . . . . . 19 ILE HA . 25401 1 174 . 1 1 19 19 ILE HB H 1 1.580 0.02 . . . . . . 19 ILE HB . 25401 1 175 . 1 1 19 19 ILE HG12 H 1 1.254 0.02 . . . . . . 19 ILE HG12 . 25401 1 176 . 1 1 19 19 ILE HG13 H 1 0.998 0.02 . . . . . . 19 ILE HG13 . 25401 1 177 . 1 1 19 19 ILE HG21 H 1 0.551 0.02 . . . . . . 19 ILE QG2 . 25401 1 178 . 1 1 19 19 ILE HG22 H 1 0.551 0.02 . . . . . . 19 ILE QG2 . 25401 1 179 . 1 1 19 19 ILE HG23 H 1 0.551 0.02 . . . . . . 19 ILE QG2 . 25401 1 180 . 1 1 19 19 ILE HD11 H 1 0.552 0.02 . . . . . . 19 ILE QD1 . 25401 1 181 . 1 1 19 19 ILE HD12 H 1 0.552 0.02 . . . . . . 19 ILE QD1 . 25401 1 182 . 1 1 19 19 ILE HD13 H 1 0.552 0.02 . . . . . . 19 ILE QD1 . 25401 1 183 . 1 1 19 19 ILE C C 13 172.735 0.1 . . . . . . 19 ILE C . 25401 1 184 . 1 1 19 19 ILE CA C 13 59.184 0.1 . . . . . . 19 ILE CA . 25401 1 185 . 1 1 19 19 ILE CB C 13 40.897 0.1 . . . . . . 19 ILE CB . 25401 1 186 . 1 1 19 19 ILE CG1 C 13 27.954 0.1 . . . . . . 19 ILE CG1 . 25401 1 187 . 1 1 19 19 ILE CG2 C 13 17.188 0.1 . . . . . . 19 ILE CG2 . 25401 1 188 . 1 1 19 19 ILE CD1 C 13 14.254 0.1 . . . . . . 19 ILE CD1 . 25401 1 189 . 1 1 19 19 ILE N N 15 120.550 0.1 . . . . . . 19 ILE N . 25401 1 190 . 1 1 20 20 SER H H 1 7.722 0.02 . . . . . . 20 SER H . 25401 1 191 . 1 1 20 20 SER HA H 1 4.562 0.02 . . . . . . 20 SER HA . 25401 1 192 . 1 1 20 20 SER HB2 H 1 3.786 0.02 . . . . . . 20 SER HB2 . 25401 1 193 . 1 1 20 20 SER HB3 H 1 4.109 0.02 . . . . . . 20 SER HB3 . 25401 1 194 . 1 1 20 20 SER C C 13 175.297 0.1 . . . . . . 20 SER C . 25401 1 195 . 1 1 20 20 SER CA C 13 56.735 0.1 . . . . . . 20 SER CA . 25401 1 196 . 1 1 20 20 SER CB C 13 65.174 0.1 . . . . . . 20 SER CB . 25401 1 197 . 1 1 20 20 SER N N 15 119.267 0.1 . . . . . . 20 SER N . 25401 1 198 . 1 1 21 21 ARG H H 1 8.939 0.02 . . . . . . 21 ARG H . 25401 1 199 . 1 1 21 21 ARG HA H 1 3.749 0.02 . . . . . . 21 ARG HA . 25401 1 200 . 1 1 21 21 ARG HB2 H 1 1.847 0.02 . . . . . . 21 ARG QB . 25401 1 201 . 1 1 21 21 ARG HB3 H 1 1.847 0.02 . . . . . . 21 ARG QB . 25401 1 202 . 1 1 21 21 ARG HG2 H 1 1.662 0.02 . . . . . . 21 ARG QG . 25401 1 203 . 1 1 21 21 ARG HG3 H 1 1.662 0.02 . . . . . . 21 ARG QG . 25401 1 204 . 1 1 21 21 ARG HD2 H 1 3.229 0.02 . . . . . . 21 ARG QD . 25401 1 205 . 1 1 21 21 ARG HD3 H 1 3.229 0.02 . . . . . . 21 ARG QD . 25401 1 206 . 1 1 21 21 ARG C C 13 178.308 0.1 . . . . . . 21 ARG C . 25401 1 207 . 1 1 21 21 ARG CA C 13 59.487 0.1 . . . . . . 21 ARG CA . 25401 1 208 . 1 1 21 21 ARG CB C 13 29.566 0.1 . . . . . . 21 ARG CB . 25401 1 209 . 1 1 21 21 ARG CG C 13 27.914 0.1 . . . . . . 21 ARG CG . 25401 1 210 . 1 1 21 21 ARG CD C 13 43.496 0.1 . . . . . . 21 ARG CD . 25401 1 211 . 1 1 21 21 ARG N N 15 124.751 0.1 . . . . . . 21 ARG N . 25401 1 212 . 1 1 22 22 ARG H H 1 8.020 0.02 . . . . . . 22 ARG H . 25401 1 213 . 1 1 22 22 ARG HA H 1 3.963 0.02 . . . . . . 22 ARG HA . 25401 1 214 . 1 1 22 22 ARG HB2 H 1 1.715 0.02 . . . . . . 22 ARG QB . 25401 1 215 . 1 1 22 22 ARG HB3 H 1 1.715 0.02 . . . . . . 22 ARG QB . 25401 1 216 . 1 1 22 22 ARG HG2 H 1 1.580 0.02 . . . . . . 22 ARG QG . 25401 1 217 . 1 1 22 22 ARG HG3 H 1 1.580 0.02 . . . . . . 22 ARG QG . 25401 1 218 . 1 1 22 22 ARG HD2 H 1 3.135 0.02 . . . . . . 22 ARG QD . 25401 1 219 . 1 1 22 22 ARG HD3 H 1 3.135 0.02 . . . . . . 22 ARG QD . 25401 1 220 . 1 1 22 22 ARG C C 13 178.544 0.1 . . . . . . 22 ARG C . 25401 1 221 . 1 1 22 22 ARG CA C 13 58.729 0.1 . . . . . . 22 ARG CA . 25401 1 222 . 1 1 22 22 ARG CB C 13 29.766 0.1 . . . . . . 22 ARG CB . 25401 1 223 . 1 1 22 22 ARG CG C 13 26.653 0.1 . . . . . . 22 ARG CG . 25401 1 224 . 1 1 22 22 ARG CD C 13 43.293 0.1 . . . . . . 22 ARG CD . 25401 1 225 . 1 1 22 22 ARG N N 15 117.146 0.1 . . . . . . 22 ARG N . 25401 1 226 . 1 1 23 23 LEU H H 1 7.216 0.02 . . . . . . 23 LEU H . 25401 1 227 . 1 1 23 23 LEU HA H 1 3.933 0.02 . . . . . . 23 LEU HA . 25401 1 228 . 1 1 23 23 LEU HB2 H 1 1.515 0.02 . . . . . . 23 LEU QB . 25401 1 229 . 1 1 23 23 LEU HB3 H 1 1.515 0.02 . . . . . . 23 LEU QB . 25401 1 230 . 1 1 23 23 LEU HG H 1 1.415 0.02 . . . . . . 23 LEU HG . 25401 1 231 . 1 1 23 23 LEU HD11 H 1 0.785 0.02 . . . . . . 23 LEU QD1 . 25401 1 232 . 1 1 23 23 LEU HD12 H 1 0.785 0.02 . . . . . . 23 LEU QD1 . 25401 1 233 . 1 1 23 23 LEU HD13 H 1 0.785 0.02 . . . . . . 23 LEU QD1 . 25401 1 234 . 1 1 23 23 LEU HD21 H 1 0.705 0.02 . . . . . . 23 LEU QD2 . 25401 1 235 . 1 1 23 23 LEU HD22 H 1 0.705 0.02 . . . . . . 23 LEU QD2 . 25401 1 236 . 1 1 23 23 LEU HD23 H 1 0.705 0.02 . . . . . . 23 LEU QD2 . 25401 1 237 . 1 1 23 23 LEU C C 13 178.990 0.1 . . . . . . 23 LEU C . 25401 1 238 . 1 1 23 23 LEU CA C 13 57.644 0.1 . . . . . . 23 LEU CA . 25401 1 239 . 1 1 23 23 LEU CB C 13 42.111 0.1 . . . . . . 23 LEU CB . 25401 1 240 . 1 1 23 23 LEU CG C 13 27.300 0.1 . . . . . . 23 LEU CG . 25401 1 241 . 1 1 23 23 LEU CD1 C 13 24.387 0.1 . . . . . . 23 LEU CD1 . 25401 1 242 . 1 1 23 23 LEU CD2 C 13 24.777 0.1 . . . . . . 23 LEU CD2 . 25401 1 243 . 1 1 23 23 LEU N N 15 119.831 0.1 . . . . . . 23 LEU N . 25401 1 244 . 1 1 24 24 LEU H H 1 7.061 0.02 . . . . . . 24 LEU H . 25401 1 245 . 1 1 24 24 LEU HA H 1 3.431 0.02 . . . . . . 24 LEU HA . 25401 1 246 . 1 1 24 24 LEU HB2 H 1 1.343 0.02 . . . . . . 24 LEU HB2 . 25401 1 247 . 1 1 24 24 LEU HB3 H 1 0.187 0.02 . . . . . . 24 LEU HB3 . 25401 1 248 . 1 1 24 24 LEU HG H 1 1.152 0.02 . . . . . . 24 LEU HG . 25401 1 249 . 1 1 24 24 LEU HD11 H 1 0.258 0.02 . . . . . . 24 LEU QD1 . 25401 1 250 . 1 1 24 24 LEU HD12 H 1 0.258 0.02 . . . . . . 24 LEU QD1 . 25401 1 251 . 1 1 24 24 LEU HD13 H 1 0.258 0.02 . . . . . . 24 LEU QD1 . 25401 1 252 . 1 1 24 24 LEU HD21 H 1 -0.265 0.02 . . . . . . 24 LEU QD2 . 25401 1 253 . 1 1 24 24 LEU HD22 H 1 -0.265 0.02 . . . . . . 24 LEU QD2 . 25401 1 254 . 1 1 24 24 LEU HD23 H 1 -0.265 0.02 . . . . . . 24 LEU QD2 . 25401 1 255 . 1 1 24 24 LEU C C 13 178.790 0.1 . . . . . . 24 LEU C . 25401 1 256 . 1 1 24 24 LEU CA C 13 56.963 0.1 . . . . . . 24 LEU CA . 25401 1 257 . 1 1 24 24 LEU CB C 13 40.035 0.1 . . . . . . 24 LEU CB . 25401 1 258 . 1 1 24 24 LEU CG C 13 25.991 0.1 . . . . . . 24 LEU CG . 25401 1 259 . 1 1 24 24 LEU CD1 C 13 25.991 0.1 . . . . . . 24 LEU CD1 . 25401 1 260 . 1 1 24 24 LEU CD2 C 13 22.957 0.1 . . . . . . 24 LEU CD2 . 25401 1 261 . 1 1 24 24 LEU N N 15 116.339 0.1 . . . . . . 24 LEU N . 25401 1 262 . 1 1 25 25 GLU H H 1 7.395 0.02 . . . . . . 25 GLU H . 25401 1 263 . 1 1 25 25 GLU HA H 1 4.158 0.02 . . . . . . 25 GLU HA . 25401 1 264 . 1 1 25 25 GLU HB2 H 1 2.121 0.02 . . . . . . 25 GLU HB2 . 25401 1 265 . 1 1 25 25 GLU HB3 H 1 2.056 0.02 . . . . . . 25 GLU HB3 . 25401 1 266 . 1 1 25 25 GLU HG2 H 1 2.454 0.02 . . . . . . 25 GLU HG2 . 25401 1 267 . 1 1 25 25 GLU HG3 H 1 2.349 0.02 . . . . . . 25 GLU HG3 . 25401 1 268 . 1 1 25 25 GLU C C 13 177.509 0.1 . . . . . . 25 GLU C . 25401 1 269 . 1 1 25 25 GLU CA C 13 58.300 0.1 . . . . . . 25 GLU CA . 25401 1 270 . 1 1 25 25 GLU CB C 13 30.289 0.1 . . . . . . 25 GLU CB . 25401 1 271 . 1 1 25 25 GLU CG C 13 36.818 0.1 . . . . . . 25 GLU CG . 25401 1 272 . 1 1 25 25 GLU N N 15 115.368 0.1 . . . . . . 25 GLU N . 25401 1 273 . 1 1 26 26 ARG H H 1 7.598 0.02 . . . . . . 26 ARG H . 25401 1 274 . 1 1 26 26 ARG HA H 1 4.466 0.02 . . . . . . 26 ARG HA . 25401 1 275 . 1 1 26 26 ARG HB2 H 1 1.764 0.02 . . . . . . 26 ARG HB2 . 25401 1 276 . 1 1 26 26 ARG HB3 H 1 2.075 0.02 . . . . . . 26 ARG HB3 . 25401 1 277 . 1 1 26 26 ARG HG2 H 1 1.623 0.02 . . . . . . 26 ARG HG2 . 25401 1 278 . 1 1 26 26 ARG HG3 H 1 1.705 0.02 . . . . . . 26 ARG HG3 . 25401 1 279 . 1 1 26 26 ARG HD2 H 1 3.115 0.02 . . . . . . 26 ARG QD . 25401 1 280 . 1 1 26 26 ARG HD3 H 1 3.115 0.02 . . . . . . 26 ARG QD . 25401 1 281 . 1 1 26 26 ARG C C 13 175.624 0.1 . . . . . . 26 ARG C . 25401 1 282 . 1 1 26 26 ARG CA C 13 54.815 0.1 . . . . . . 26 ARG CA . 25401 1 283 . 1 1 26 26 ARG CB C 13 31.344 0.1 . . . . . . 26 ARG CB . 25401 1 284 . 1 1 26 26 ARG CG C 13 27.509 0.1 . . . . . . 26 ARG CG . 25401 1 285 . 1 1 26 26 ARG CD C 13 43.799 0.1 . . . . . . 26 ARG CD . 25401 1 286 . 1 1 26 26 ARG N N 15 116.260 0.1 . . . . . . 26 ARG N . 25401 1 287 . 1 1 27 27 VAL H H 1 7.123 0.02 . . . . . . 27 VAL H . 25401 1 288 . 1 1 27 27 VAL HA H 1 3.933 0.02 . . . . . . 27 VAL HA . 25401 1 289 . 1 1 27 27 VAL HB H 1 2.145 0.02 . . . . . . 27 VAL HB . 25401 1 290 . 1 1 27 27 VAL HG11 H 1 1.005 0.02 . . . . . . 27 VAL QG1 . 25401 1 291 . 1 1 27 27 VAL HG12 H 1 1.005 0.02 . . . . . . 27 VAL QG1 . 25401 1 292 . 1 1 27 27 VAL HG13 H 1 1.005 0.02 . . . . . . 27 VAL QG1 . 25401 1 293 . 1 1 27 27 VAL HG21 H 1 0.788 0.02 . . . . . . 27 VAL QG2 . 25401 1 294 . 1 1 27 27 VAL HG22 H 1 0.788 0.02 . . . . . . 27 VAL QG2 . 25401 1 295 . 1 1 27 27 VAL HG23 H 1 0.788 0.02 . . . . . . 27 VAL QG2 . 25401 1 296 . 1 1 27 27 VAL C C 13 176.654 0.1 . . . . . . 27 VAL C . 25401 1 297 . 1 1 27 27 VAL CA C 13 63.779 0.1 . . . . . . 27 VAL CA . 25401 1 298 . 1 1 27 27 VAL CB C 13 33.016 0.1 . . . . . . 27 VAL CB . 25401 1 299 . 1 1 27 27 VAL CG1 C 13 22.806 0.1 . . . . . . 27 VAL CG1 . 25401 1 300 . 1 1 27 27 VAL CG2 C 13 24.777 0.1 . . . . . . 27 VAL CG2 . 25401 1 301 . 1 1 27 27 VAL N N 15 120.886 0.1 . . . . . . 27 VAL N . 25401 1 302 . 1 1 28 28 ASN H H 1 9.044 0.02 . . . . . . 28 ASN H . 25401 1 303 . 1 1 28 28 ASN HA H 1 4.998 0.02 . . . . . . 28 ASN HA . 25401 1 304 . 1 1 28 28 ASN HB2 H 1 2.829 0.02 . . . . . . 28 ASN QB . 25401 1 305 . 1 1 28 28 ASN HB3 H 1 2.829 0.02 . . . . . . 28 ASN QB . 25401 1 306 . 1 1 28 28 ASN HD21 H 1 7.687 0.02 . . . . . . 28 ASN HD21 . 25401 1 307 . 1 1 28 28 ASN HD22 H 1 6.966 0.02 . . . . . . 28 ASN HD22 . 25401 1 308 . 1 1 28 28 ASN C C 13 174.623 0.1 . . . . . . 28 ASN C . 25401 1 309 . 1 1 28 28 ASN CA C 13 54.311 0.1 . . . . . . 28 ASN CA . 25401 1 310 . 1 1 28 28 ASN CB C 13 40.932 0.1 . . . . . . 28 ASN CB . 25401 1 311 . 1 1 28 28 ASN N N 15 123.647 0.1 . . . . . . 28 ASN N . 25401 1 312 . 1 1 28 28 ASN ND2 N 15 112.223 0.1 . . . . . . 28 ASN ND2 . 25401 1 313 . 1 1 29 29 MET H H 1 7.591 0.02 . . . . . . 29 MET H . 25401 1 314 . 1 1 29 29 MET HA H 1 4.611 0.02 . . . . . . 29 MET HA . 25401 1 315 . 1 1 29 29 MET HB2 H 1 1.827 0.02 . . . . . . 29 MET HB2 . 25401 1 316 . 1 1 29 29 MET HB3 H 1 2.091 0.02 . . . . . . 29 MET HB3 . 25401 1 317 . 1 1 29 29 MET HG2 H 1 2.361 0.02 . . . . . . 29 MET QG . 25401 1 318 . 1 1 29 29 MET HG3 H 1 2.361 0.02 . . . . . . 29 MET QG . 25401 1 319 . 1 1 29 29 MET C C 13 177.393 0.1 . . . . . . 29 MET C . 25401 1 320 . 1 1 29 29 MET CA C 13 56.110 0.1 . . . . . . 29 MET CA . 25401 1 321 . 1 1 29 29 MET CB C 13 35.717 0.1 . . . . . . 29 MET CB . 25401 1 322 . 1 1 29 29 MET CG C 13 31.832 0.1 . . . . . . 29 MET CG . 25401 1 323 . 1 1 29 29 MET N N 15 117.862 0.1 . . . . . . 29 MET N . 25401 1 324 . 1 1 30 30 CYS H H 1 9.010 0.02 . . . . . . 30 CYS H . 25401 1 325 . 1 1 30 30 CYS HA H 1 5.754 0.02 . . . . . . 30 CYS HA . 25401 1 326 . 1 1 30 30 CYS HB2 H 1 3.212 0.02 . . . . . . 30 CYS HB2 . 25401 1 327 . 1 1 30 30 CYS HB3 H 1 3.309 0.02 . . . . . . 30 CYS HB3 . 25401 1 328 . 1 1 30 30 CYS C C 13 173.833 0.1 . . . . . . 30 CYS C . 25401 1 329 . 1 1 30 30 CYS CA C 13 54.491 0.1 . . . . . . 30 CYS CA . 25401 1 330 . 1 1 30 30 CYS CB C 13 49.309 0.1 . . . . . . 30 CYS CB . 25401 1 331 . 1 1 30 30 CYS N N 15 122.725 0.1 . . . . . . 30 CYS N . 25401 1 332 . 1 1 31 31 ARG H H 1 9.452 0.02 . . . . . . 31 ARG H . 25401 1 333 . 1 1 31 31 ARG HA H 1 5.304 0.02 . . . . . . 31 ARG HA . 25401 1 334 . 1 1 31 31 ARG HB2 H 1 1.794 0.02 . . . . . . 31 ARG QB . 25401 1 335 . 1 1 31 31 ARG HB3 H 1 1.794 0.02 . . . . . . 31 ARG QB . 25401 1 336 . 1 1 31 31 ARG HG2 H 1 1.592 0.02 . . . . . . 31 ARG HG2 . 25401 1 337 . 1 1 31 31 ARG HG3 H 1 1.500 0.02 . . . . . . 31 ARG HG3 . 25401 1 338 . 1 1 31 31 ARG HD2 H 1 3.242 0.02 . . . . . . 31 ARG HD2 . 25401 1 339 . 1 1 31 31 ARG HD3 H 1 3.158 0.02 . . . . . . 31 ARG HD3 . 25401 1 340 . 1 1 31 31 ARG C C 13 173.790 0.1 . . . . . . 31 ARG C . 25401 1 341 . 1 1 31 31 ARG CA C 13 54.526 0.1 . . . . . . 31 ARG CA . 25401 1 342 . 1 1 31 31 ARG CB C 13 35.278 0.1 . . . . . . 31 ARG CB . 25401 1 343 . 1 1 31 31 ARG CG C 13 28.272 0.1 . . . . . . 31 ARG CG . 25401 1 344 . 1 1 31 31 ARG CD C 13 43.809 0.1 . . . . . . 31 ARG CD . 25401 1 345 . 1 1 31 31 ARG N N 15 125.037 0.1 . . . . . . 31 ARG N . 25401 1 346 . 1 1 32 32 ILE H H 1 8.492 0.02 . . . . . . 32 ILE H . 25401 1 347 . 1 1 32 32 ILE HA H 1 4.440 0.02 . . . . . . 32 ILE HA . 25401 1 348 . 1 1 32 32 ILE HB H 1 1.785 0.02 . . . . . . 32 ILE HB . 25401 1 349 . 1 1 32 32 ILE HG12 H 1 1.342 0.02 . . . . . . 32 ILE HG12 . 25401 1 350 . 1 1 32 32 ILE HG13 H 1 1.143 0.02 . . . . . . 32 ILE HG13 . 25401 1 351 . 1 1 32 32 ILE HG21 H 1 0.790 0.02 . . . . . . 32 ILE QG2 . 25401 1 352 . 1 1 32 32 ILE HG22 H 1 0.790 0.02 . . . . . . 32 ILE QG2 . 25401 1 353 . 1 1 32 32 ILE HG23 H 1 0.790 0.02 . . . . . . 32 ILE QG2 . 25401 1 354 . 1 1 32 32 ILE HD11 H 1 0.737 0.02 . . . . . . 32 ILE QD1 . 25401 1 355 . 1 1 32 32 ILE HD12 H 1 0.737 0.02 . . . . . . 32 ILE QD1 . 25401 1 356 . 1 1 32 32 ILE HD13 H 1 0.737 0.02 . . . . . . 32 ILE QD1 . 25401 1 357 . 1 1 32 32 ILE C C 13 175.054 0.1 . . . . . . 32 ILE C . 25401 1 358 . 1 1 32 32 ILE CA C 13 60.057 0.1 . . . . . . 32 ILE CA . 25401 1 359 . 1 1 32 32 ILE CB C 13 38.928 0.1 . . . . . . 32 ILE CB . 25401 1 360 . 1 1 32 32 ILE CG1 C 13 27.893 0.1 . . . . . . 32 ILE CG1 . 25401 1 361 . 1 1 32 32 ILE CG2 C 13 17.266 0.1 . . . . . . 32 ILE CG2 . 25401 1 362 . 1 1 32 32 ILE CD1 C 13 12.100 0.1 . . . . . . 32 ILE CD1 . 25401 1 363 . 1 1 32 32 ILE N N 15 121.612 0.1 . . . . . . 32 ILE N . 25401 1 364 . 1 1 33 33 GLN H H 1 9.153 0.02 . . . . . . 33 GLN H . 25401 1 365 . 1 1 33 33 GLN HA H 1 4.677 0.02 . . . . . . 33 GLN HA . 25401 1 366 . 1 1 33 33 GLN HB2 H 1 2.030 0.02 . . . . . . 33 GLN QB . 25401 1 367 . 1 1 33 33 GLN HB3 H 1 2.030 0.02 . . . . . . 33 GLN QB . 25401 1 368 . 1 1 33 33 GLN HG2 H 1 2.387 0.02 . . . . . . 33 GLN HG2 . 25401 1 369 . 1 1 33 33 GLN HG3 H 1 2.246 0.02 . . . . . . 33 GLN HG3 . 25401 1 370 . 1 1 33 33 GLN HE21 H 1 8.687 0.02 . . . . . . 33 GLN HE21 . 25401 1 371 . 1 1 33 33 GLN HE22 H 1 7.234 0.02 . . . . . . 33 GLN HE22 . 25401 1 372 . 1 1 33 33 GLN C C 13 174.661 0.1 . . . . . . 33 GLN C . 25401 1 373 . 1 1 33 33 GLN CA C 13 54.688 0.1 . . . . . . 33 GLN CA . 25401 1 374 . 1 1 33 33 GLN CB C 13 32.156 0.1 . . . . . . 33 GLN CB . 25401 1 375 . 1 1 33 33 GLN CG C 13 34.895 0.1 . . . . . . 33 GLN CG . 25401 1 376 . 1 1 33 33 GLN N N 15 130.621 0.1 . . . . . . 33 GLN N . 25401 1 377 . 1 1 33 33 GLN NE2 N 15 114.261 0.1 . . . . . . 33 GLN NE2 . 25401 1 378 . 1 1 34 34 ARG H H 1 8.680 0.02 . . . . . . 34 ARG H . 25401 1 379 . 1 1 34 34 ARG HA H 1 4.456 0.02 . . . . . . 34 ARG HA . 25401 1 380 . 1 1 34 34 ARG HB2 H 1 1.794 0.02 . . . . . . 34 ARG HB2 . 25401 1 381 . 1 1 34 34 ARG HB3 H 1 1.758 0.02 . . . . . . 34 ARG HB3 . 25401 1 382 . 1 1 34 34 ARG HG2 H 1 1.606 0.02 . . . . . . 34 ARG HG2 . 25401 1 383 . 1 1 34 34 ARG HG3 H 1 1.488 0.02 . . . . . . 34 ARG HG3 . 25401 1 384 . 1 1 34 34 ARG HD2 H 1 3.113 0.02 . . . . . . 34 ARG QD . 25401 1 385 . 1 1 34 34 ARG HD3 H 1 3.113 0.02 . . . . . . 34 ARG QD . 25401 1 386 . 1 1 34 34 ARG C C 13 175.390 0.1 . . . . . . 34 ARG C . 25401 1 387 . 1 1 34 34 ARG CA C 13 55.463 0.1 . . . . . . 34 ARG CA . 25401 1 388 . 1 1 34 34 ARG CB C 13 33.127 0.1 . . . . . . 34 ARG CB . 25401 1 389 . 1 1 34 34 ARG CG C 13 26.977 0.1 . . . . . . 34 ARG CG . 25401 1 390 . 1 1 34 34 ARG CD C 13 43.630 0.1 . . . . . . 34 ARG CD . 25401 1 391 . 1 1 34 34 ARG N N 15 126.813 0.1 . . . . . . 34 ARG N . 25401 1 392 . 1 1 35 35 ALA H H 1 8.356 0.02 . . . . . . 35 ALA H . 25401 1 393 . 1 1 35 35 ALA HA H 1 4.323 0.02 . . . . . . 35 ALA HA . 25401 1 394 . 1 1 35 35 ALA HB1 H 1 1.165 0.02 . . . . . . 35 ALA HB . 25401 1 395 . 1 1 35 35 ALA HB2 H 1 1.165 0.02 . . . . . . 35 ALA HB . 25401 1 396 . 1 1 35 35 ALA HB3 H 1 1.165 0.02 . . . . . . 35 ALA HB . 25401 1 397 . 1 1 35 35 ALA C C 13 176.654 0.1 . . . . . . 35 ALA C . 25401 1 398 . 1 1 35 35 ALA CA C 13 51.710 0.1 . . . . . . 35 ALA CA . 25401 1 399 . 1 1 35 35 ALA CB C 13 17.756 0.1 . . . . . . 35 ALA CB . 25401 1 400 . 1 1 35 35 ALA N N 15 123.200 0.1 . . . . . . 35 ALA N . 25401 1 401 . 1 1 36 36 ASP H H 1 8.291 0.02 . . . . . . 36 ASP H . 25401 1 402 . 1 1 36 36 ASP HA H 1 4.599 0.02 . . . . . . 36 ASP HA . 25401 1 403 . 1 1 36 36 ASP HB2 H 1 2.491 0.02 . . . . . . 36 ASP HB2 . 25401 1 404 . 1 1 36 36 ASP HB3 H 1 2.928 0.02 . . . . . . 36 ASP HB3 . 25401 1 405 . 1 1 36 36 ASP C C 13 176.278 0.1 . . . . . . 36 ASP C . 25401 1 406 . 1 1 36 36 ASP CA C 13 53.250 0.1 . . . . . . 36 ASP CA . 25401 1 407 . 1 1 36 36 ASP CB C 13 41.178 0.1 . . . . . . 36 ASP CB . 25401 1 408 . 1 1 36 36 ASP N N 15 122.913 0.1 . . . . . . 36 ASP N . 25401 1 409 . 1 1 37 37 GLY H H 1 8.160 0.02 . . . . . . 37 GLY H . 25401 1 410 . 1 1 37 37 GLY HA2 H 1 3.904 0.02 . . . . . . 37 GLY HA2 . 25401 1 411 . 1 1 37 37 GLY HA3 H 1 3.852 0.02 . . . . . . 37 GLY HA3 . 25401 1 412 . 1 1 37 37 GLY C C 13 174.492 0.1 . . . . . . 37 GLY C . 25401 1 413 . 1 1 37 37 GLY CA C 13 46.075 0.1 . . . . . . 37 GLY CA . 25401 1 414 . 1 1 37 37 GLY N N 15 108.273 0.1 . . . . . . 37 GLY N . 25401 1 415 . 1 1 38 38 ASP H H 1 8.453 0.02 . . . . . . 38 ASP H . 25401 1 416 . 1 1 38 38 ASP HA H 1 4.565 0.02 . . . . . . 38 ASP HA . 25401 1 417 . 1 1 38 38 ASP HB2 H 1 2.642 0.02 . . . . . . 38 ASP QB . 25401 1 418 . 1 1 38 38 ASP HB3 H 1 2.642 0.02 . . . . . . 38 ASP QB . 25401 1 419 . 1 1 38 38 ASP C C 13 176.245 0.1 . . . . . . 38 ASP C . 25401 1 420 . 1 1 38 38 ASP CA C 13 56.382 0.1 . . . . . . 38 ASP CA . 25401 1 421 . 1 1 38 38 ASP CB C 13 41.791 0.1 . . . . . . 38 ASP CB . 25401 1 422 . 1 1 38 38 ASP N N 15 122.264 0.1 . . . . . . 38 ASP N . 25401 1 423 . 1 1 39 39 CYS H H 1 7.986 0.02 . . . . . . 39 CYS H . 25401 1 424 . 1 1 39 39 CYS HA H 1 4.955 0.02 . . . . . . 39 CYS HA . 25401 1 425 . 1 1 39 39 CYS HB2 H 1 2.888 0.02 . . . . . . 39 CYS HB2 . 25401 1 426 . 1 1 39 39 CYS HB3 H 1 3.435 0.02 . . . . . . 39 CYS HB3 . 25401 1 427 . 1 1 39 39 CYS C C 13 173.942 0.1 . . . . . . 39 CYS C . 25401 1 428 . 1 1 39 39 CYS CA C 13 52.511 0.1 . . . . . . 39 CYS CA . 25401 1 429 . 1 1 39 39 CYS CB C 13 39.925 0.1 . . . . . . 39 CYS CB . 25401 1 430 . 1 1 39 39 CYS N N 15 116.122 0.1 . . . . . . 39 CYS N . 25401 1 431 . 1 1 40 40 ASP H H 1 8.094 0.02 . . . . . . 40 ASP H . 25401 1 432 . 1 1 40 40 ASP HA H 1 4.644 0.02 . . . . . . 40 ASP HA . 25401 1 433 . 1 1 40 40 ASP HB2 H 1 2.624 0.02 . . . . . . 40 ASP QB . 25401 1 434 . 1 1 40 40 ASP HB3 H 1 2.624 0.02 . . . . . . 40 ASP QB . 25401 1 435 . 1 1 40 40 ASP C C 13 175.269 0.1 . . . . . . 40 ASP C . 25401 1 436 . 1 1 40 40 ASP CA C 13 55.197 0.1 . . . . . . 40 ASP CA . 25401 1 437 . 1 1 40 40 ASP CB C 13 41.819 0.1 . . . . . . 40 ASP CB . 25401 1 438 . 1 1 40 40 ASP N N 15 118.804 0.1 . . . . . . 40 ASP N . 25401 1 439 . 1 1 41 41 LEU H H 1 7.377 0.02 . . . . . . 41 LEU H . 25401 1 440 . 1 1 41 41 LEU HA H 1 4.520 0.02 . . . . . . 41 LEU HA . 25401 1 441 . 1 1 41 41 LEU HB2 H 1 1.369 0.02 . . . . . . 41 LEU QB . 25401 1 442 . 1 1 41 41 LEU HB3 H 1 1.369 0.02 . . . . . . 41 LEU QB . 25401 1 443 . 1 1 41 41 LEU HG H 1 1.433 0.02 . . . . . . 41 LEU HG . 25401 1 444 . 1 1 41 41 LEU HD11 H 1 0.757 0.02 . . . . . . 41 LEU QD1 . 25401 1 445 . 1 1 41 41 LEU HD12 H 1 0.757 0.02 . . . . . . 41 LEU QD1 . 25401 1 446 . 1 1 41 41 LEU HD13 H 1 0.757 0.02 . . . . . . 41 LEU QD1 . 25401 1 447 . 1 1 41 41 LEU HD21 H 1 0.631 0.02 . . . . . . 41 LEU QD2 . 25401 1 448 . 1 1 41 41 LEU HD22 H 1 0.631 0.02 . . . . . . 41 LEU QD2 . 25401 1 449 . 1 1 41 41 LEU HD23 H 1 0.631 0.02 . . . . . . 41 LEU QD2 . 25401 1 450 . 1 1 41 41 LEU C C 13 175.007 0.1 . . . . . . 41 LEU C . 25401 1 451 . 1 1 41 41 LEU CA C 13 53.848 0.1 . . . . . . 41 LEU CA . 25401 1 452 . 1 1 41 41 LEU CB C 13 45.568 0.1 . . . . . . 41 LEU CB . 25401 1 453 . 1 1 41 41 LEU CG C 13 26.660 0.1 . . . . . . 41 LEU CG . 25401 1 454 . 1 1 41 41 LEU CD1 C 13 24.711 0.1 . . . . . . 41 LEU CD1 . 25401 1 455 . 1 1 41 41 LEU CD2 C 13 25.358 0.1 . . . . . . 41 LEU CD2 . 25401 1 456 . 1 1 41 41 LEU N N 15 118.659 0.1 . . . . . . 41 LEU N . 25401 1 457 . 1 1 42 42 ALA H H 1 8.355 0.02 . . . . . . 42 ALA H . 25401 1 458 . 1 1 42 42 ALA HA H 1 4.603 0.02 . . . . . . 42 ALA HA . 25401 1 459 . 1 1 42 42 ALA HB1 H 1 1.361 0.02 . . . . . . 42 ALA HB . 25401 1 460 . 1 1 42 42 ALA HB2 H 1 1.361 0.02 . . . . . . 42 ALA HB . 25401 1 461 . 1 1 42 42 ALA HB3 H 1 1.361 0.02 . . . . . . 42 ALA HB . 25401 1 462 . 1 1 42 42 ALA C C 13 176.588 0.1 . . . . . . 42 ALA C . 25401 1 463 . 1 1 42 42 ALA CA C 13 51.053 0.1 . . . . . . 42 ALA CA . 25401 1 464 . 1 1 42 42 ALA CB C 13 19.665 0.1 . . . . . . 42 ALA CB . 25401 1 465 . 1 1 42 42 ALA N N 15 126.611 0.1 . . . . . . 42 ALA N . 25401 1 466 . 1 1 43 43 ALA H H 1 8.811 0.02 . . . . . . 43 ALA H . 25401 1 467 . 1 1 43 43 ALA HA H 1 4.614 0.02 . . . . . . 43 ALA HA . 25401 1 468 . 1 1 43 43 ALA HB1 H 1 1.052 0.02 . . . . . . 43 ALA HB . 25401 1 469 . 1 1 43 43 ALA HB2 H 1 1.052 0.02 . . . . . . 43 ALA HB . 25401 1 470 . 1 1 43 43 ALA HB3 H 1 1.052 0.02 . . . . . . 43 ALA HB . 25401 1 471 . 1 1 43 43 ALA C C 13 175.025 0.1 . . . . . . 43 ALA C . 25401 1 472 . 1 1 43 43 ALA CA C 13 52.063 0.1 . . . . . . 43 ALA CA . 25401 1 473 . 1 1 43 43 ALA CB C 13 23.425 0.1 . . . . . . 43 ALA CB . 25401 1 474 . 1 1 43 43 ALA N N 15 120.342 0.1 . . . . . . 43 ALA N . 25401 1 475 . 1 1 44 44 VAL H H 1 9.038 0.02 . . . . . . 44 VAL H . 25401 1 476 . 1 1 44 44 VAL HA H 1 4.298 0.02 . . . . . . 44 VAL HA . 25401 1 477 . 1 1 44 44 VAL HB H 1 1.787 0.02 . . . . . . 44 VAL HB . 25401 1 478 . 1 1 44 44 VAL HG11 H 1 0.871 0.02 . . . . . . 44 VAL QG1 . 25401 1 479 . 1 1 44 44 VAL HG12 H 1 0.871 0.02 . . . . . . 44 VAL QG1 . 25401 1 480 . 1 1 44 44 VAL HG13 H 1 0.871 0.02 . . . . . . 44 VAL QG1 . 25401 1 481 . 1 1 44 44 VAL HG21 H 1 0.791 0.02 . . . . . . 44 VAL QG2 . 25401 1 482 . 1 1 44 44 VAL HG22 H 1 0.791 0.02 . . . . . . 44 VAL QG2 . 25401 1 483 . 1 1 44 44 VAL HG23 H 1 0.791 0.02 . . . . . . 44 VAL QG2 . 25401 1 484 . 1 1 44 44 VAL C C 13 174.081 0.1 . . . . . . 44 VAL C . 25401 1 485 . 1 1 44 44 VAL CA C 13 62.947 0.1 . . . . . . 44 VAL CA . 25401 1 486 . 1 1 44 44 VAL CB C 13 32.836 0.1 . . . . . . 44 VAL CB . 25401 1 487 . 1 1 44 44 VAL CG1 C 13 22.130 0.1 . . . . . . 44 VAL CG1 . 25401 1 488 . 1 1 44 44 VAL CG2 C 13 20.822 0.1 . . . . . . 44 VAL CG2 . 25401 1 489 . 1 1 44 44 VAL N N 15 122.155 0.1 . . . . . . 44 VAL N . 25401 1 490 . 1 1 45 45 ILE H H 1 9.386 0.02 . . . . . . 45 ILE H . 25401 1 491 . 1 1 45 45 ILE HA H 1 4.542 0.02 . . . . . . 45 ILE HA . 25401 1 492 . 1 1 45 45 ILE HB H 1 1.848 0.02 . . . . . . 45 ILE HB . 25401 1 493 . 1 1 45 45 ILE HG12 H 1 1.468 0.02 . . . . . . 45 ILE HG12 . 25401 1 494 . 1 1 45 45 ILE HG13 H 1 1.060 0.02 . . . . . . 45 ILE HG13 . 25401 1 495 . 1 1 45 45 ILE HG21 H 1 0.671 0.02 . . . . . . 45 ILE QG2 . 25401 1 496 . 1 1 45 45 ILE HG22 H 1 0.671 0.02 . . . . . . 45 ILE QG2 . 25401 1 497 . 1 1 45 45 ILE HG23 H 1 0.671 0.02 . . . . . . 45 ILE QG2 . 25401 1 498 . 1 1 45 45 ILE HD11 H 1 0.881 0.02 . . . . . . 45 ILE QD1 . 25401 1 499 . 1 1 45 45 ILE HD12 H 1 0.881 0.02 . . . . . . 45 ILE QD1 . 25401 1 500 . 1 1 45 45 ILE HD13 H 1 0.881 0.02 . . . . . . 45 ILE QD1 . 25401 1 501 . 1 1 45 45 ILE C C 13 175.222 0.1 . . . . . . 45 ILE C . 25401 1 502 . 1 1 45 45 ILE CA C 13 61.335 0.1 . . . . . . 45 ILE CA . 25401 1 503 . 1 1 45 45 ILE CB C 13 38.653 0.1 . . . . . . 45 ILE CB . 25401 1 504 . 1 1 45 45 ILE CG1 C 13 28.272 0.1 . . . . . . 45 ILE CG1 . 25401 1 505 . 1 1 45 45 ILE CG2 C 13 18.894 0.1 . . . . . . 45 ILE CG2 . 25401 1 506 . 1 1 45 45 ILE CD1 C 13 14.694 0.1 . . . . . . 45 ILE CD1 . 25401 1 507 . 1 1 45 45 ILE N N 15 127.797 0.1 . . . . . . 45 ILE N . 25401 1 508 . 1 1 46 46 LEU H H 1 9.129 0.02 . . . . . . 46 LEU H . 25401 1 509 . 1 1 46 46 LEU HA H 1 4.905 0.02 . . . . . . 46 LEU HA . 25401 1 510 . 1 1 46 46 LEU HB2 H 1 1.713 0.02 . . . . . . 46 LEU HB2 . 25401 1 511 . 1 1 46 46 LEU HB3 H 1 1.161 0.02 . . . . . . 46 LEU HB3 . 25401 1 512 . 1 1 46 46 LEU HG H 1 1.536 0.02 . . . . . . 46 LEU HG . 25401 1 513 . 1 1 46 46 LEU HD11 H 1 0.640 0.02 . . . . . . 46 LEU QD1 . 25401 1 514 . 1 1 46 46 LEU HD12 H 1 0.640 0.02 . . . . . . 46 LEU QD1 . 25401 1 515 . 1 1 46 46 LEU HD13 H 1 0.640 0.02 . . . . . . 46 LEU QD1 . 25401 1 516 . 1 1 46 46 LEU HD21 H 1 0.411 0.02 . . . . . . 46 LEU QD2 . 25401 1 517 . 1 1 46 46 LEU HD22 H 1 0.411 0.02 . . . . . . 46 LEU QD2 . 25401 1 518 . 1 1 46 46 LEU HD23 H 1 0.411 0.02 . . . . . . 46 LEU QD2 . 25401 1 519 . 1 1 46 46 LEU C C 13 175.821 0.1 . . . . . . 46 LEU C . 25401 1 520 . 1 1 46 46 LEU CA C 13 52.872 0.1 . . . . . . 46 LEU CA . 25401 1 521 . 1 1 46 46 LEU CB C 13 43.592 0.1 . . . . . . 46 LEU CB . 25401 1 522 . 1 1 46 46 LEU CG C 13 26.653 0.1 . . . . . . 46 LEU CG . 25401 1 523 . 1 1 46 46 LEU CD1 C 13 24.171 0.1 . . . . . . 46 LEU CD1 . 25401 1 524 . 1 1 46 46 LEU CD2 C 13 26.977 0.1 . . . . . . 46 LEU CD2 . 25401 1 525 . 1 1 46 46 LEU N N 15 126.602 0.1 . . . . . . 46 LEU N . 25401 1 526 . 1 1 47 47 HIS H H 1 8.552 0.02 . . . . . . 47 HIS H . 25401 1 527 . 1 1 47 47 HIS HA H 1 5.265 0.02 . . . . . . 47 HIS HA . 25401 1 528 . 1 1 47 47 HIS HB2 H 1 3.063 0.02 . . . . . . 47 HIS QB . 25401 1 529 . 1 1 47 47 HIS HB3 H 1 3.063 0.02 . . . . . . 47 HIS QB . 25401 1 530 . 1 1 47 47 HIS HD2 H 1 6.531 0.02 . . . . . . 47 HIS HD2 . 25401 1 531 . 1 1 47 47 HIS HE1 H 1 7.544 0.02 . . . . . . 47 HIS HE1 . 25401 1 532 . 1 1 47 47 HIS C C 13 174.754 0.1 . . . . . . 47 HIS C . 25401 1 533 . 1 1 47 47 HIS CA C 13 55.750 0.1 . . . . . . 47 HIS CA . 25401 1 534 . 1 1 47 47 HIS CB C 13 31.300 0.1 . . . . . . 47 HIS CB . 25401 1 535 . 1 1 47 47 HIS CD2 C 13 122.729 0.1 . . . . . . 47 HIS CD2 . 25401 1 536 . 1 1 47 47 HIS CE1 C 13 138.001 0.1 . . . . . . 47 HIS CE1 . 25401 1 537 . 1 1 47 47 HIS N N 15 121.357 0.1 . . . . . . 47 HIS N . 25401 1 538 . 1 1 48 48 VAL H H 1 8.420 0.02 . . . . . . 48 VAL H . 25401 1 539 . 1 1 48 48 VAL HA H 1 4.294 0.02 . . . . . . 48 VAL HA . 25401 1 540 . 1 1 48 48 VAL HB H 1 1.843 0.02 . . . . . . 48 VAL HB . 25401 1 541 . 1 1 48 48 VAL HG11 H 1 0.791 0.02 . . . . . . 48 VAL QG1 . 25401 1 542 . 1 1 48 48 VAL HG12 H 1 0.791 0.02 . . . . . . 48 VAL QG1 . 25401 1 543 . 1 1 48 48 VAL HG13 H 1 0.791 0.02 . . . . . . 48 VAL QG1 . 25401 1 544 . 1 1 48 48 VAL HG21 H 1 0.667 0.02 . . . . . . 48 VAL QG2 . 25401 1 545 . 1 1 48 48 VAL HG22 H 1 0.667 0.02 . . . . . . 48 VAL QG2 . 25401 1 546 . 1 1 48 48 VAL HG23 H 1 0.667 0.02 . . . . . . 48 VAL QG2 . 25401 1 547 . 1 1 48 48 VAL C C 13 175.344 0.1 . . . . . . 48 VAL C . 25401 1 548 . 1 1 48 48 VAL CA C 13 61.154 0.1 . . . . . . 48 VAL CA . 25401 1 549 . 1 1 48 48 VAL CB C 13 33.550 0.1 . . . . . . 48 VAL CB . 25401 1 550 . 1 1 48 48 VAL CG1 C 13 21.168 0.1 . . . . . . 48 VAL CG1 . 25401 1 551 . 1 1 48 48 VAL CG2 C 13 20.915 0.1 . . . . . . 48 VAL CG2 . 25401 1 552 . 1 1 48 48 VAL N N 15 123.524 0.1 . . . . . . 48 VAL N . 25401 1 553 . 1 1 49 49 LYS H H 1 9.155 0.02 . . . . . . 49 LYS H . 25401 1 554 . 1 1 49 49 LYS HA H 1 3.764 0.02 . . . . . . 49 LYS HA . 25401 1 555 . 1 1 49 49 LYS HB2 H 1 2.043 0.02 . . . . . . 49 LYS HB2 . 25401 1 556 . 1 1 49 49 LYS HB3 H 1 1.890 0.02 . . . . . . 49 LYS HB3 . 25401 1 557 . 1 1 49 49 LYS HG2 H 1 1.507 0.02 . . . . . . 49 LYS HG2 . 25401 1 558 . 1 1 49 49 LYS HG3 H 1 1.421 0.02 . . . . . . 49 LYS HG3 . 25401 1 559 . 1 1 49 49 LYS HD2 H 1 1.678 0.02 . . . . . . 49 LYS QD . 25401 1 560 . 1 1 49 49 LYS HD3 H 1 1.678 0.02 . . . . . . 49 LYS QD . 25401 1 561 . 1 1 49 49 LYS HE2 H 1 2.968 0.02 . . . . . . 49 LYS QE . 25401 1 562 . 1 1 49 49 LYS HE3 H 1 2.968 0.02 . . . . . . 49 LYS QE . 25401 1 563 . 1 1 49 49 LYS C C 13 176.420 0.1 . . . . . . 49 LYS C . 25401 1 564 . 1 1 49 49 LYS CA C 13 58.931 0.1 . . . . . . 49 LYS CA . 25401 1 565 . 1 1 49 49 LYS CB C 13 30.460 0.1 . . . . . . 49 LYS CB . 25401 1 566 . 1 1 49 49 LYS CG C 13 25.682 0.1 . . . . . . 49 LYS CG . 25401 1 567 . 1 1 49 49 LYS CD C 13 29.381 0.1 . . . . . . 49 LYS CD . 25401 1 568 . 1 1 49 49 LYS CE C 13 42.734 0.1 . . . . . . 49 LYS CE . 25401 1 569 . 1 1 49 49 LYS N N 15 125.472 0.1 . . . . . . 49 LYS N . 25401 1 570 . 1 1 50 50 ARG H H 1 8.339 0.02 . . . . . . 50 ARG H . 25401 1 571 . 1 1 50 50 ARG HA H 1 4.218 0.02 . . . . . . 50 ARG HA . 25401 1 572 . 1 1 50 50 ARG HB2 H 1 2.083 0.02 . . . . . . 50 ARG HB2 . 25401 1 573 . 1 1 50 50 ARG HB3 H 1 1.850 0.02 . . . . . . 50 ARG HB3 . 25401 1 574 . 1 1 50 50 ARG HG2 H 1 1.636 0.02 . . . . . . 50 ARG HG2 . 25401 1 575 . 1 1 50 50 ARG HG3 H 1 1.575 0.02 . . . . . . 50 ARG HG3 . 25401 1 576 . 1 1 50 50 ARG HD2 H 1 3.174 0.02 . . . . . . 50 ARG QD . 25401 1 577 . 1 1 50 50 ARG HD3 H 1 3.174 0.02 . . . . . . 50 ARG QD . 25401 1 578 . 1 1 50 50 ARG C C 13 175.755 0.1 . . . . . . 50 ARG C . 25401 1 579 . 1 1 50 50 ARG CA C 13 57.215 0.1 . . . . . . 50 ARG CA . 25401 1 580 . 1 1 50 50 ARG CB C 13 29.743 0.1 . . . . . . 50 ARG CB . 25401 1 581 . 1 1 50 50 ARG CG C 13 27.901 0.1 . . . . . . 50 ARG CG . 25401 1 582 . 1 1 50 50 ARG CD C 13 43.486 0.1 . . . . . . 50 ARG CD . 25401 1 583 . 1 1 50 50 ARG N N 15 118.596 0.1 . . . . . . 50 ARG N . 25401 1 584 . 1 1 51 51 ARG H H 1 8.144 0.02 . . . . . . 51 ARG H . 25401 1 585 . 1 1 51 51 ARG HA H 1 4.459 0.02 . . . . . . 51 ARG HA . 25401 1 586 . 1 1 51 51 ARG HB2 H 1 1.801 0.02 . . . . . . 51 ARG QB . 25401 1 587 . 1 1 51 51 ARG HB3 H 1 1.801 0.02 . . . . . . 51 ARG QB . 25401 1 588 . 1 1 51 51 ARG HG2 H 1 1.584 0.02 . . . . . . 51 ARG QG . 25401 1 589 . 1 1 51 51 ARG HG3 H 1 1.584 0.02 . . . . . . 51 ARG QG . 25401 1 590 . 1 1 51 51 ARG HD2 H 1 3.127 0.02 . . . . . . 51 ARG QD . 25401 1 591 . 1 1 51 51 ARG HD3 H 1 3.127 0.02 . . . . . . 51 ARG QD . 25401 1 592 . 1 1 51 51 ARG C C 13 174.520 0.1 . . . . . . 51 ARG C . 25401 1 593 . 1 1 51 51 ARG CA C 13 55.725 0.1 . . . . . . 51 ARG CA . 25401 1 594 . 1 1 51 51 ARG CB C 13 32.480 0.1 . . . . . . 51 ARG CB . 25401 1 595 . 1 1 51 51 ARG CG C 13 26.977 0.1 . . . . . . 51 ARG CG . 25401 1 596 . 1 1 51 51 ARG CD C 13 44.204 0.1 . . . . . . 51 ARG CD . 25401 1 597 . 1 1 51 51 ARG N N 15 120.670 0.1 . . . . . . 51 ARG N . 25401 1 598 . 1 1 52 52 ARG H H 1 8.437 0.02 . . . . . . 52 ARG H . 25401 1 599 . 1 1 52 52 ARG HA H 1 4.831 0.02 . . . . . . 52 ARG HA . 25401 1 600 . 1 1 52 52 ARG HB2 H 1 1.459 0.02 . . . . . . 52 ARG QB . 25401 1 601 . 1 1 52 52 ARG HB3 H 1 1.459 0.02 . . . . . . 52 ARG QB . 25401 1 602 . 1 1 52 52 ARG HG2 H 1 1.059 0.02 . . . . . . 52 ARG HG2 . 25401 1 603 . 1 1 52 52 ARG HG3 H 1 1.162 0.02 . . . . . . 52 ARG HG3 . 25401 1 604 . 1 1 52 52 ARG HD2 H 1 2.971 0.02 . . . . . . 52 ARG HD2 . 25401 1 605 . 1 1 52 52 ARG HD3 H 1 2.886 0.02 . . . . . . 52 ARG HD3 . 25401 1 606 . 1 1 52 52 ARG C C 13 175.166 0.1 . . . . . . 52 ARG C . 25401 1 607 . 1 1 52 52 ARG CA C 13 54.795 0.1 . . . . . . 52 ARG CA . 25401 1 608 . 1 1 52 52 ARG CB C 13 32.173 0.1 . . . . . . 52 ARG CB . 25401 1 609 . 1 1 52 52 ARG CG C 13 27.000 0.1 . . . . . . 52 ARG CG . 25401 1 610 . 1 1 52 52 ARG CD C 13 44.131 0.1 . . . . . . 52 ARG CD . 25401 1 611 . 1 1 52 52 ARG N N 15 124.022 0.1 . . . . . . 52 ARG N . 25401 1 612 . 1 1 53 53 ILE H H 1 9.218 0.02 . . . . . . 53 ILE H . 25401 1 613 . 1 1 53 53 ILE HA H 1 4.240 0.02 . . . . . . 53 ILE HA . 25401 1 614 . 1 1 53 53 ILE HB H 1 1.576 0.02 . . . . . . 53 ILE HB . 25401 1 615 . 1 1 53 53 ILE HG12 H 1 0.939 0.02 . . . . . . 53 ILE HG12 . 25401 1 616 . 1 1 53 53 ILE HG13 H 1 1.284 0.02 . . . . . . 53 ILE HG13 . 25401 1 617 . 1 1 53 53 ILE HG21 H 1 0.713 0.02 . . . . . . 53 ILE QG2 . 25401 1 618 . 1 1 53 53 ILE HG22 H 1 0.713 0.02 . . . . . . 53 ILE QG2 . 25401 1 619 . 1 1 53 53 ILE HG23 H 1 0.713 0.02 . . . . . . 53 ILE QG2 . 25401 1 620 . 1 1 53 53 ILE HD11 H 1 0.634 0.02 . . . . . . 53 ILE QD1 . 25401 1 621 . 1 1 53 53 ILE HD12 H 1 0.634 0.02 . . . . . . 53 ILE QD1 . 25401 1 622 . 1 1 53 53 ILE HD13 H 1 0.634 0.02 . . . . . . 53 ILE QD1 . 25401 1 623 . 1 1 53 53 ILE C C 13 174.380 0.1 . . . . . . 53 ILE C . 25401 1 624 . 1 1 53 53 ILE CA C 13 60.786 0.1 . . . . . . 53 ILE CA . 25401 1 625 . 1 1 53 53 ILE CB C 13 41.233 0.1 . . . . . . 53 ILE CB . 25401 1 626 . 1 1 53 53 ILE CG1 C 13 28.389 0.1 . . . . . . 53 ILE CG1 . 25401 1 627 . 1 1 53 53 ILE CG2 C 13 18.099 0.1 . . . . . . 53 ILE CG2 . 25401 1 628 . 1 1 53 53 ILE CD1 C 13 14.371 0.1 . . . . . . 53 ILE CD1 . 25401 1 629 . 1 1 53 53 ILE N N 15 126.673 0.1 . . . . . . 53 ILE N . 25401 1 630 . 1 1 54 54 CYS H H 1 8.821 0.02 . . . . . . 54 CYS H . 25401 1 631 . 1 1 54 54 CYS HA H 1 5.117 0.02 . . . . . . 54 CYS HA . 25401 1 632 . 1 1 54 54 CYS HB2 H 1 3.599 0.02 . . . . . . 54 CYS HB2 . 25401 1 633 . 1 1 54 54 CYS HB3 H 1 2.767 0.02 . . . . . . 54 CYS HB3 . 25401 1 634 . 1 1 54 54 CYS C C 13 173.959 0.1 . . . . . . 54 CYS C . 25401 1 635 . 1 1 54 54 CYS CA C 13 55.093 0.1 . . . . . . 54 CYS CA . 25401 1 636 . 1 1 54 54 CYS CB C 13 46.227 0.1 . . . . . . 54 CYS CB . 25401 1 637 . 1 1 54 54 CYS N N 15 126.050 0.1 . . . . . . 54 CYS N . 25401 1 638 . 1 1 55 55 VAL H H 1 9.484 0.02 . . . . . . 55 VAL H . 25401 1 639 . 1 1 55 55 VAL HA H 1 4.728 0.02 . . . . . . 55 VAL HA . 25401 1 640 . 1 1 55 55 VAL HB H 1 1.875 0.02 . . . . . . 55 VAL HB . 25401 1 641 . 1 1 55 55 VAL HG11 H 1 0.819 0.02 . . . . . . 55 VAL QG1 . 25401 1 642 . 1 1 55 55 VAL HG12 H 1 0.819 0.02 . . . . . . 55 VAL QG1 . 25401 1 643 . 1 1 55 55 VAL HG13 H 1 0.819 0.02 . . . . . . 55 VAL QG1 . 25401 1 644 . 1 1 55 55 VAL HG21 H 1 0.727 0.02 . . . . . . 55 VAL QG2 . 25401 1 645 . 1 1 55 55 VAL HG22 H 1 0.727 0.02 . . . . . . 55 VAL QG2 . 25401 1 646 . 1 1 55 55 VAL HG23 H 1 0.727 0.02 . . . . . . 55 VAL QG2 . 25401 1 647 . 1 1 55 55 VAL C C 13 174.183 0.1 . . . . . . 55 VAL C . 25401 1 648 . 1 1 55 55 VAL CA C 13 60.129 0.1 . . . . . . 55 VAL CA . 25401 1 649 . 1 1 55 55 VAL CB C 13 35.467 0.1 . . . . . . 55 VAL CB . 25401 1 650 . 1 1 55 55 VAL CG1 C 13 21.900 0.1 . . . . . . 55 VAL CG1 . 25401 1 651 . 1 1 55 55 VAL CG2 C 13 21.775 0.1 . . . . . . 55 VAL CG2 . 25401 1 652 . 1 1 55 55 VAL N N 15 122.385 0.1 . . . . . . 55 VAL N . 25401 1 653 . 1 1 56 56 SER H H 1 8.355 0.02 . . . . . . 56 SER H . 25401 1 654 . 1 1 56 56 SER HA H 1 4.501 0.02 . . . . . . 56 SER HA . 25401 1 655 . 1 1 56 56 SER HB2 H 1 3.793 0.02 . . . . . . 56 SER HB2 . 25401 1 656 . 1 1 56 56 SER HB3 H 1 3.628 0.02 . . . . . . 56 SER HB3 . 25401 1 657 . 1 1 56 56 SER C C 13 174.692 0.1 . . . . . . 56 SER C . 25401 1 658 . 1 1 56 56 SER CA C 13 57.722 0.1 . . . . . . 56 SER CA . 25401 1 659 . 1 1 56 56 SER CB C 13 64.825 0.1 . . . . . . 56 SER CB . 25401 1 660 . 1 1 56 56 SER N N 15 118.596 0.1 . . . . . . 56 SER N . 25401 1 661 . 1 1 57 57 PRO HA H 1 4.165 0.02 . . . . . . 57 PRO HA . 25401 1 662 . 1 1 57 57 PRO HB2 H 1 1.498 0.02 . . . . . . 57 PRO HB2 . 25401 1 663 . 1 1 57 57 PRO HB3 H 1 2.001 0.02 . . . . . . 57 PRO HB3 . 25401 1 664 . 1 1 57 57 PRO HG2 H 1 1.397 0.02 . . . . . . 57 PRO HG2 . 25401 1 665 . 1 1 57 57 PRO HG3 H 1 1.616 0.02 . . . . . . 57 PRO HG3 . 25401 1 666 . 1 1 57 57 PRO HD2 H 1 3.660 0.02 . . . . . . 57 PRO QD . 25401 1 667 . 1 1 57 57 PRO HD3 H 1 3.660 0.02 . . . . . . 57 PRO QD . 25401 1 668 . 1 1 57 57 PRO C C 13 175.679 0.1 . . . . . . 57 PRO C . 25401 1 669 . 1 1 57 57 PRO CA C 13 63.694 0.1 . . . . . . 57 PRO CA . 25401 1 670 . 1 1 57 57 PRO CB C 13 31.832 0.1 . . . . . . 57 PRO CB . 25401 1 671 . 1 1 57 57 PRO CG C 13 27.439 0.1 . . . . . . 57 PRO CG . 25401 1 672 . 1 1 57 57 PRO CD C 13 51.254 0.1 . . . . . . 57 PRO CD . 25401 1 673 . 1 1 58 58 HIS H H 1 7.537 0.02 . . . . . . 58 HIS H . 25401 1 674 . 1 1 58 58 HIS HA H 1 4.547 0.02 . . . . . . 58 HIS HA . 25401 1 675 . 1 1 58 58 HIS HB2 H 1 2.783 0.02 . . . . . . 58 HIS HB2 . 25401 1 676 . 1 1 58 58 HIS HB3 H 1 3.259 0.02 . . . . . . 58 HIS HB3 . 25401 1 677 . 1 1 58 58 HIS HD2 H 1 6.935 0.02 . . . . . . 58 HIS HD2 . 25401 1 678 . 1 1 58 58 HIS C C 13 175.868 0.1 . . . . . . 58 HIS C . 25401 1 679 . 1 1 58 58 HIS CA C 13 55.270 0.1 . . . . . . 58 HIS CA . 25401 1 680 . 1 1 58 58 HIS CB C 13 30.866 0.1 . . . . . . 58 HIS CB . 25401 1 681 . 1 1 58 58 HIS CD2 C 13 119.100 0.1 . . . . . . 58 HIS CD2 . 25401 1 682 . 1 1 58 58 HIS N N 15 113.490 0.1 . . . . . . 58 HIS N . 25401 1 683 . 1 1 59 59 ASN H H 1 7.314 0.02 . . . . . . 59 ASN H . 25401 1 684 . 1 1 59 59 ASN HA H 1 4.558 0.02 . . . . . . 59 ASN HA . 25401 1 685 . 1 1 59 59 ASN HB2 H 1 2.762 0.02 . . . . . . 59 ASN HB2 . 25401 1 686 . 1 1 59 59 ASN HB3 H 1 2.656 0.02 . . . . . . 59 ASN HB3 . 25401 1 687 . 1 1 59 59 ASN HD21 H 1 7.611 0.02 . . . . . . 59 ASN HD21 . 25401 1 688 . 1 1 59 59 ASN HD22 H 1 7.474 0.02 . . . . . . 59 ASN HD22 . 25401 1 689 . 1 1 59 59 ASN CA C 13 55.781 0.1 . . . . . . 59 ASN CA . 25401 1 690 . 1 1 59 59 ASN CB C 13 40.250 0.1 . . . . . . 59 ASN CB . 25401 1 691 . 1 1 59 59 ASN N N 15 120.376 0.1 . . . . . . 59 ASN N . 25401 1 692 . 1 1 59 59 ASN ND2 N 15 113.733 0.1 . . . . . . 59 ASN ND2 . 25401 1 693 . 1 1 60 60 HIS HA H 1 4.162 0.02 . . . . . . 60 HIS HA . 25401 1 694 . 1 1 60 60 HIS HB2 H 1 3.246 0.02 . . . . . . 60 HIS HB2 . 25401 1 695 . 1 1 60 60 HIS HB3 H 1 3.183 0.02 . . . . . . 60 HIS HB3 . 25401 1 696 . 1 1 60 60 HIS HD2 H 1 7.117 0.02 . . . . . . 60 HIS HD2 . 25401 1 697 . 1 1 60 60 HIS C C 13 176.962 0.1 . . . . . . 60 HIS C . 25401 1 698 . 1 1 60 60 HIS CA C 13 60.655 0.1 . . . . . . 60 HIS CA . 25401 1 699 . 1 1 60 60 HIS CB C 13 30.970 0.1 . . . . . . 60 HIS CB . 25401 1 700 . 1 1 60 60 HIS CD2 C 13 119.364 0.1 . . . . . . 60 HIS CD2 . 25401 1 701 . 1 1 61 61 THR H H 1 7.740 0.02 . . . . . . 61 THR H . 25401 1 702 . 1 1 61 61 THR HA H 1 3.882 0.02 . . . . . . 61 THR HA . 25401 1 703 . 1 1 61 61 THR HB H 1 4.308 0.02 . . . . . . 61 THR HB . 25401 1 704 . 1 1 61 61 THR HG21 H 1 1.105 0.02 . . . . . . 61 THR QG2 . 25401 1 705 . 1 1 61 61 THR HG22 H 1 1.105 0.02 . . . . . . 61 THR QG2 . 25401 1 706 . 1 1 61 61 THR HG23 H 1 1.105 0.02 . . . . . . 61 THR QG2 . 25401 1 707 . 1 1 61 61 THR C C 13 177.290 0.1 . . . . . . 61 THR C . 25401 1 708 . 1 1 61 61 THR CA C 13 66.759 0.1 . . . . . . 61 THR CA . 25401 1 709 . 1 1 61 61 THR CB C 13 68.434 0.1 . . . . . . 61 THR CB . 25401 1 710 . 1 1 61 61 THR CG2 C 13 22.146 0.1 . . . . . . 61 THR CG2 . 25401 1 711 . 1 1 61 61 THR N N 15 117.762 0.1 . . . . . . 61 THR N . 25401 1 712 . 1 1 62 62 VAL H H 1 8.515 0.02 . . . . . . 62 VAL H . 25401 1 713 . 1 1 62 62 VAL HA H 1 3.782 0.02 . . . . . . 62 VAL HA . 25401 1 714 . 1 1 62 62 VAL HB H 1 2.105 0.02 . . . . . . 62 VAL HB . 25401 1 715 . 1 1 62 62 VAL HG11 H 1 1.050 0.02 . . . . . . 62 VAL QG1 . 25401 1 716 . 1 1 62 62 VAL HG12 H 1 1.050 0.02 . . . . . . 62 VAL QG1 . 25401 1 717 . 1 1 62 62 VAL HG13 H 1 1.050 0.02 . . . . . . 62 VAL QG1 . 25401 1 718 . 1 1 62 62 VAL HG21 H 1 0.856 0.02 . . . . . . 62 VAL QG2 . 25401 1 719 . 1 1 62 62 VAL HG22 H 1 0.856 0.02 . . . . . . 62 VAL QG2 . 25401 1 720 . 1 1 62 62 VAL HG23 H 1 0.856 0.02 . . . . . . 62 VAL QG2 . 25401 1 721 . 1 1 62 62 VAL C C 13 176.145 0.1 . . . . . . 62 VAL C . 25401 1 722 . 1 1 62 62 VAL CA C 13 66.456 0.1 . . . . . . 62 VAL CA . 25401 1 723 . 1 1 62 62 VAL CB C 13 32.059 0.1 . . . . . . 62 VAL CB . 25401 1 724 . 1 1 62 62 VAL CG1 C 13 21.337 0.1 . . . . . . 62 VAL CG1 . 25401 1 725 . 1 1 62 62 VAL CG2 C 13 21.474 0.1 . . . . . . 62 VAL CG2 . 25401 1 726 . 1 1 62 62 VAL N N 15 123.241 0.1 . . . . . . 62 VAL N . 25401 1 727 . 1 1 63 63 LYS H H 1 8.314 0.02 . . . . . . 63 LYS H . 25401 1 728 . 1 1 63 63 LYS HA H 1 3.999 0.02 . . . . . . 63 LYS HA . 25401 1 729 . 1 1 63 63 LYS HB2 H 1 1.798 0.02 . . . . . . 63 LYS QB . 25401 1 730 . 1 1 63 63 LYS HB3 H 1 1.798 0.02 . . . . . . 63 LYS QB . 25401 1 731 . 1 1 63 63 LYS HG2 H 1 1.680 0.02 . . . . . . 63 LYS QG . 25401 1 732 . 1 1 63 63 LYS HG3 H 1 1.680 0.02 . . . . . . 63 LYS QG . 25401 1 733 . 1 1 63 63 LYS HD2 H 1 1.660 0.02 . . . . . . 63 LYS QD . 25401 1 734 . 1 1 63 63 LYS HD3 H 1 1.660 0.02 . . . . . . 63 LYS QD . 25401 1 735 . 1 1 63 63 LYS HE2 H 1 2.972 0.02 . . . . . . 63 LYS QE . 25401 1 736 . 1 1 63 63 LYS HE3 H 1 2.972 0.02 . . . . . . 63 LYS QE . 25401 1 737 . 1 1 63 63 LYS C C 13 179.900 0.1 . . . . . . 63 LYS C . 25401 1 738 . 1 1 63 63 LYS CA C 13 60.826 0.1 . . . . . . 63 LYS CA . 25401 1 739 . 1 1 63 63 LYS CB C 13 32.156 0.1 . . . . . . 63 LYS CB . 25401 1 740 . 1 1 63 63 LYS CG C 13 25.690 0.1 . . . . . . 63 LYS CG . 25401 1 741 . 1 1 63 63 LYS CD C 13 30.051 0.1 . . . . . . 63 LYS CD . 25401 1 742 . 1 1 63 63 LYS CE C 13 41.543 0.1 . . . . . . 63 LYS CE . 25401 1 743 . 1 1 63 63 LYS N N 15 121.354 0.1 . . . . . . 63 LYS N . 25401 1 744 . 1 1 64 64 GLN H H 1 8.045 0.02 . . . . . . 64 GLN H . 25401 1 745 . 1 1 64 64 GLN HA H 1 4.026 0.02 . . . . . . 64 GLN HA . 25401 1 746 . 1 1 64 64 GLN HB2 H 1 2.126 0.02 . . . . . . 64 GLN QB . 25401 1 747 . 1 1 64 64 GLN HB3 H 1 2.126 0.02 . . . . . . 64 GLN QB . 25401 1 748 . 1 1 64 64 GLN HG2 H 1 2.374 0.02 . . . . . . 64 GLN HG2 . 25401 1 749 . 1 1 64 64 GLN HG3 H 1 2.306 0.02 . . . . . . 64 GLN HG3 . 25401 1 750 . 1 1 64 64 GLN HE21 H 1 7.253 0.02 . . . . . . 64 GLN HE21 . 25401 1 751 . 1 1 64 64 GLN HE22 H 1 6.880 0.02 . . . . . . 64 GLN HE22 . 25401 1 752 . 1 1 64 64 GLN C C 13 177.879 0.1 . . . . . . 64 GLN C . 25401 1 753 . 1 1 64 64 GLN CA C 13 58.982 0.1 . . . . . . 64 GLN CA . 25401 1 754 . 1 1 64 64 GLN CB C 13 28.555 0.1 . . . . . . 64 GLN CB . 25401 1 755 . 1 1 64 64 GLN CG C 13 33.782 0.1 . . . . . . 64 GLN CG . 25401 1 756 . 1 1 64 64 GLN N N 15 118.813 0.1 . . . . . . 64 GLN N . 25401 1 757 . 1 1 64 64 GLN NE2 N 15 111.859 0.1 . . . . . . 64 GLN NE2 . 25401 1 758 . 1 1 65 65 TRP H H 1 7.969 0.02 . . . . . . 65 TRP H . 25401 1 759 . 1 1 65 65 TRP HA H 1 4.267 0.02 . . . . . . 65 TRP HA . 25401 1 760 . 1 1 65 65 TRP HB2 H 1 3.241 0.02 . . . . . . 65 TRP HB2 . 25401 1 761 . 1 1 65 65 TRP HB3 H 1 3.530 0.02 . . . . . . 65 TRP HB3 . 25401 1 762 . 1 1 65 65 TRP HD1 H 1 7.222 0.02 . . . . . . 65 TRP HD1 . 25401 1 763 . 1 1 65 65 TRP HE1 H 1 10.007 0.02 . . . . . . 65 TRP HE1 . 25401 1 764 . 1 1 65 65 TRP HE3 H 1 7.548 0.02 . . . . . . 65 TRP HE3 . 25401 1 765 . 1 1 65 65 TRP HZ2 H 1 7.314 0.02 . . . . . . 65 TRP HZ2 . 25401 1 766 . 1 1 65 65 TRP HZ3 H 1 6.779 0.02 . . . . . . 65 TRP HZ3 . 25401 1 767 . 1 1 65 65 TRP HH2 H 1 6.849 0.02 . . . . . . 65 TRP HH2 . 25401 1 768 . 1 1 65 65 TRP C C 13 178.104 0.1 . . . . . . 65 TRP C . 25401 1 769 . 1 1 65 65 TRP CA C 13 61.633 0.1 . . . . . . 65 TRP CA . 25401 1 770 . 1 1 65 65 TRP CB C 13 29.264 0.1 . . . . . . 65 TRP CB . 25401 1 771 . 1 1 65 65 TRP CD1 C 13 127.129 0.1 . . . . . . 65 TRP CD1 . 25401 1 772 . 1 1 65 65 TRP CE3 C 13 120.400 0.1 . . . . . . 65 TRP CE3 . 25401 1 773 . 1 1 65 65 TRP CZ2 C 13 114.705 0.1 . . . . . . 65 TRP CZ2 . 25401 1 774 . 1 1 65 65 TRP CZ3 C 13 121.435 0.1 . . . . . . 65 TRP CZ3 . 25401 1 775 . 1 1 65 65 TRP CH2 C 13 124.282 0.1 . . . . . . 65 TRP CH2 . 25401 1 776 . 1 1 65 65 TRP N N 15 121.887 0.1 . . . . . . 65 TRP N . 25401 1 777 . 1 1 65 65 TRP NE1 N 15 130.898 0.1 . . . . . . 65 TRP NE1 . 25401 1 778 . 1 1 66 66 MET H H 1 8.875 0.02 . . . . . . 66 MET H . 25401 1 779 . 1 1 66 66 MET HA H 1 3.410 0.02 . . . . . . 66 MET HA . 25401 1 780 . 1 1 66 66 MET HB2 H 1 2.199 0.02 . . . . . . 66 MET HB2 . 25401 1 781 . 1 1 66 66 MET HB3 H 1 1.998 0.02 . . . . . . 66 MET HB3 . 25401 1 782 . 1 1 66 66 MET HG2 H 1 3.093 0.02 . . . . . . 66 MET HG2 . 25401 1 783 . 1 1 66 66 MET HG3 H 1 2.473 0.02 . . . . . . 66 MET HG3 . 25401 1 784 . 1 1 66 66 MET C C 13 178.955 0.1 . . . . . . 66 MET C . 25401 1 785 . 1 1 66 66 MET CA C 13 59.891 0.1 . . . . . . 66 MET CA . 25401 1 786 . 1 1 66 66 MET CB C 13 33.451 0.1 . . . . . . 66 MET CB . 25401 1 787 . 1 1 66 66 MET CG C 13 33.276 0.1 . . . . . . 66 MET CG . 25401 1 788 . 1 1 66 66 MET N N 15 118.164 0.1 . . . . . . 66 MET N . 25401 1 789 . 1 1 67 67 LYS H H 1 7.545 0.02 . . . . . . 67 LYS H . 25401 1 790 . 1 1 67 67 LYS HA H 1 3.932 0.02 . . . . . . 67 LYS HA . 25401 1 791 . 1 1 67 67 LYS HB2 H 1 1.915 0.02 . . . . . . 67 LYS QB . 25401 1 792 . 1 1 67 67 LYS HB3 H 1 1.915 0.02 . . . . . . 67 LYS QB . 25401 1 793 . 1 1 67 67 LYS HG2 H 1 1.535 0.02 . . . . . . 67 LYS HG2 . 25401 1 794 . 1 1 67 67 LYS HG3 H 1 1.336 0.02 . . . . . . 67 LYS HG3 . 25401 1 795 . 1 1 67 67 LYS HD2 H 1 1.631 0.02 . . . . . . 67 LYS QD . 25401 1 796 . 1 1 67 67 LYS HD3 H 1 1.631 0.02 . . . . . . 67 LYS QD . 25401 1 797 . 1 1 67 67 LYS HE2 H 1 2.912 0.02 . . . . . . 67 LYS QE . 25401 1 798 . 1 1 67 67 LYS HE3 H 1 2.912 0.02 . . . . . . 67 LYS QE . 25401 1 799 . 1 1 67 67 LYS C C 13 179.386 0.1 . . . . . . 67 LYS C . 25401 1 800 . 1 1 67 67 LYS CA C 13 59.729 0.1 . . . . . . 67 LYS CA . 25401 1 801 . 1 1 67 67 LYS CB C 13 32.480 0.1 . . . . . . 67 LYS CB . 25401 1 802 . 1 1 67 67 LYS CG C 13 25.358 0.1 . . . . . . 67 LYS CG . 25401 1 803 . 1 1 67 67 LYS CD C 13 30.214 0.1 . . . . . . 67 LYS CD . 25401 1 804 . 1 1 67 67 LYS CE C 13 42.531 0.1 . . . . . . 67 LYS CE . 25401 1 805 . 1 1 67 67 LYS N N 15 119.759 0.1 . . . . . . 67 LYS N . 25401 1 806 . 1 1 68 68 VAL H H 1 7.811 0.02 . . . . . . 68 VAL H . 25401 1 807 . 1 1 68 68 VAL HA H 1 3.625 0.02 . . . . . . 68 VAL HA . 25401 1 808 . 1 1 68 68 VAL HB H 1 2.116 0.02 . . . . . . 68 VAL HB . 25401 1 809 . 1 1 68 68 VAL HG11 H 1 1.034 0.02 . . . . . . 68 VAL QG1 . 25401 1 810 . 1 1 68 68 VAL HG12 H 1 1.034 0.02 . . . . . . 68 VAL QG1 . 25401 1 811 . 1 1 68 68 VAL HG13 H 1 1.034 0.02 . . . . . . 68 VAL QG1 . 25401 1 812 . 1 1 68 68 VAL HG21 H 1 0.852 0.02 . . . . . . 68 VAL QG2 . 25401 1 813 . 1 1 68 68 VAL HG22 H 1 0.852 0.02 . . . . . . 68 VAL QG2 . 25401 1 814 . 1 1 68 68 VAL HG23 H 1 0.852 0.02 . . . . . . 68 VAL QG2 . 25401 1 815 . 1 1 68 68 VAL C C 13 179.432 0.1 . . . . . . 68 VAL C . 25401 1 816 . 1 1 68 68 VAL CA C 13 66.237 0.1 . . . . . . 68 VAL CA . 25401 1 817 . 1 1 68 68 VAL CB C 13 31.837 0.1 . . . . . . 68 VAL CB . 25401 1 818 . 1 1 68 68 VAL CG1 C 13 22.400 0.1 . . . . . . 68 VAL CG1 . 25401 1 819 . 1 1 68 68 VAL CG2 C 13 21.194 0.1 . . . . . . 68 VAL CG2 . 25401 1 820 . 1 1 68 68 VAL N N 15 120.679 0.1 . . . . . . 68 VAL N . 25401 1 821 . 1 1 69 69 GLN H H 1 8.088 0.02 . . . . . . 69 GLN H . 25401 1 822 . 1 1 69 69 GLN HA H 1 3.621 0.02 . . . . . . 69 GLN HA . 25401 1 823 . 1 1 69 69 GLN HB2 H 1 1.443 0.02 . . . . . . 69 GLN HB2 . 25401 1 824 . 1 1 69 69 GLN HB3 H 1 1.663 0.02 . . . . . . 69 GLN HB3 . 25401 1 825 . 1 1 69 69 GLN HG2 H 1 1.465 0.02 . . . . . . 69 GLN HG2 . 25401 1 826 . 1 1 69 69 GLN HG3 H 1 1.101 0.02 . . . . . . 69 GLN HG3 . 25401 1 827 . 1 1 69 69 GLN HE21 H 1 6.202 0.02 . . . . . . 69 GLN HE21 . 25401 1 828 . 1 1 69 69 GLN HE22 H 1 6.865 0.02 . . . . . . 69 GLN HE22 . 25401 1 829 . 1 1 69 69 GLN C C 13 178.506 0.1 . . . . . . 69 GLN C . 25401 1 830 . 1 1 69 69 GLN CA C 13 57.862 0.1 . . . . . . 69 GLN CA . 25401 1 831 . 1 1 69 69 GLN CB C 13 28.343 0.1 . . . . . . 69 GLN CB . 25401 1 832 . 1 1 69 69 GLN CG C 13 32.482 0.1 . . . . . . 69 GLN CG . 25401 1 833 . 1 1 69 69 GLN N N 15 118.101 0.1 . . . . . . 69 GLN N . 25401 1 834 . 1 1 69 69 GLN NE2 N 15 113.743 0.1 . . . . . . 69 GLN NE2 . 25401 1 835 . 1 1 70 70 ALA H H 1 7.701 0.02 . . . . . . 70 ALA H . 25401 1 836 . 1 1 70 70 ALA HA H 1 3.893 0.02 . . . . . . 70 ALA HA . 25401 1 837 . 1 1 70 70 ALA HB1 H 1 1.343 0.02 . . . . . . 70 ALA HB . 25401 1 838 . 1 1 70 70 ALA HB2 H 1 1.343 0.02 . . . . . . 70 ALA HB . 25401 1 839 . 1 1 70 70 ALA HB3 H 1 1.343 0.02 . . . . . . 70 ALA HB . 25401 1 840 . 1 1 70 70 ALA C C 13 178.394 0.1 . . . . . . 70 ALA C . 25401 1 841 . 1 1 70 70 ALA CA C 13 54.199 0.1 . . . . . . 70 ALA CA . 25401 1 842 . 1 1 70 70 ALA CB C 13 18.267 0.1 . . . . . . 70 ALA CB . 25401 1 843 . 1 1 70 70 ALA N N 15 119.775 0.1 . . . . . . 70 ALA N . 25401 1 844 . 1 1 71 71 ALA H H 1 7.248 0.02 . . . . . . 71 ALA H . 25401 1 845 . 1 1 71 71 ALA HA H 1 4.228 0.02 . . . . . . 71 ALA HA . 25401 1 846 . 1 1 71 71 ALA HB1 H 1 1.388 0.02 . . . . . . 71 ALA HB . 25401 1 847 . 1 1 71 71 ALA HB2 H 1 1.388 0.02 . . . . . . 71 ALA HB . 25401 1 848 . 1 1 71 71 ALA HB3 H 1 1.388 0.02 . . . . . . 71 ALA HB . 25401 1 849 . 1 1 71 71 ALA C C 13 178.581 0.1 . . . . . . 71 ALA C . 25401 1 850 . 1 1 71 71 ALA CA C 13 52.873 0.1 . . . . . . 71 ALA CA . 25401 1 851 . 1 1 71 71 ALA CB C 13 19.058 0.1 . . . . . . 71 ALA CB . 25401 1 852 . 1 1 71 71 ALA N N 15 118.697 0.1 . . . . . . 71 ALA N . 25401 1 853 . 1 1 72 72 LYS H H 1 7.232 0.02 . . . . . . 72 LYS H . 25401 1 854 . 1 1 72 72 LYS HA H 1 4.106 0.02 . . . . . . 72 LYS HA . 25401 1 855 . 1 1 72 72 LYS HB2 H 1 1.739 0.02 . . . . . . 72 LYS QB . 25401 1 856 . 1 1 72 72 LYS HB3 H 1 1.739 0.02 . . . . . . 72 LYS QB . 25401 1 857 . 1 1 72 72 LYS HG2 H 1 1.383 0.02 . . . . . . 72 LYS QG . 25401 1 858 . 1 1 72 72 LYS HG3 H 1 1.383 0.02 . . . . . . 72 LYS QG . 25401 1 859 . 1 1 72 72 LYS HD2 H 1 1.561 0.02 . . . . . . 72 LYS QD . 25401 1 860 . 1 1 72 72 LYS HD3 H 1 1.561 0.02 . . . . . . 72 LYS QD . 25401 1 861 . 1 1 72 72 LYS HE2 H 1 2.856 0.02 . . . . . . 72 LYS QE . 25401 1 862 . 1 1 72 72 LYS HE3 H 1 2.856 0.02 . . . . . . 72 LYS QE . 25401 1 863 . 1 1 72 72 LYS C C 13 176.286 0.1 . . . . . . 72 LYS C . 25401 1 864 . 1 1 72 72 LYS CA C 13 57.574 0.1 . . . . . . 72 LYS CA . 25401 1 865 . 1 1 72 72 LYS CB C 13 33.127 0.1 . . . . . . 72 LYS CB . 25401 1 866 . 1 1 72 72 LYS CG C 13 25.682 0.1 . . . . . . 72 LYS CG . 25401 1 867 . 1 1 72 72 LYS CD C 13 29.566 0.1 . . . . . . 72 LYS CD . 25401 1 868 . 1 1 72 72 LYS CE C 13 42.191 0.1 . . . . . . 72 LYS CE . 25401 1 869 . 1 1 72 72 LYS N N 15 118.697 0.1 . . . . . . 72 LYS N . 25401 1 870 . 1 1 73 73 LYS H H 1 8.153 0.02 . . . . . . 73 LYS H . 25401 1 871 . 1 1 73 73 LYS HA H 1 4.232 0.02 . . . . . . 73 LYS HA . 25401 1 872 . 1 1 73 73 LYS HB2 H 1 1.906 0.02 . . . . . . 73 LYS HB2 . 25401 1 873 . 1 1 73 73 LYS HB3 H 1 1.782 0.02 . . . . . . 73 LYS HB3 . 25401 1 874 . 1 1 73 73 LYS HG2 H 1 1.352 0.02 . . . . . . 73 LYS QG . 25401 1 875 . 1 1 73 73 LYS HG3 H 1 1.352 0.02 . . . . . . 73 LYS QG . 25401 1 876 . 1 1 73 73 LYS HD2 H 1 1.675 0.02 . . . . . . 73 LYS QD . 25401 1 877 . 1 1 73 73 LYS HD3 H 1 1.675 0.02 . . . . . . 73 LYS QD . 25401 1 878 . 1 1 73 73 LYS HE2 H 1 2.964 0.02 . . . . . . 73 LYS QE . 25401 1 879 . 1 1 73 73 LYS HE3 H 1 2.964 0.02 . . . . . . 73 LYS QE . 25401 1 880 . 1 1 73 73 LYS C C 13 176.993 0.1 . . . . . . 73 LYS C . 25401 1 881 . 1 1 73 73 LYS CA C 13 56.772 0.1 . . . . . . 73 LYS CA . 25401 1 882 . 1 1 73 73 LYS CB C 13 32.931 0.1 . . . . . . 73 LYS CB . 25401 1 883 . 1 1 73 73 LYS CG C 13 25.039 0.1 . . . . . . 73 LYS CG . 25401 1 884 . 1 1 73 73 LYS CD C 13 29.133 0.1 . . . . . . 73 LYS CD . 25401 1 885 . 1 1 73 73 LYS CE C 13 42.779 0.1 . . . . . . 73 LYS CE . 25401 1 886 . 1 1 73 73 LYS N N 15 123.074 0.1 . . . . . . 73 LYS N . 25401 1 887 . 1 1 74 74 ASN H H 1 8.378 0.02 . . . . . . 74 ASN H . 25401 1 888 . 1 1 74 74 ASN HA H 1 4.514 0.02 . . . . . . 74 ASN HA . 25401 1 889 . 1 1 74 74 ASN HB2 H 1 2.914 0.02 . . . . . . 74 ASN HB2 . 25401 1 890 . 1 1 74 74 ASN HB3 H 1 2.801 0.02 . . . . . . 74 ASN HB3 . 25401 1 891 . 1 1 74 74 ASN HD21 H 1 7.551 0.02 . . . . . . 74 ASN HD21 . 25401 1 892 . 1 1 74 74 ASN HD22 H 1 6.873 0.02 . . . . . . 74 ASN HD22 . 25401 1 893 . 1 1 74 74 ASN C C 13 175.580 0.1 . . . . . . 74 ASN C . 25401 1 894 . 1 1 74 74 ASN CA C 13 54.163 0.1 . . . . . . 74 ASN CA . 25401 1 895 . 1 1 74 74 ASN CB C 13 37.983 0.1 . . . . . . 74 ASN CB . 25401 1 896 . 1 1 74 74 ASN N N 15 116.989 0.1 . . . . . . 74 ASN N . 25401 1 897 . 1 1 74 74 ASN ND2 N 15 112.779 0.1 . . . . . . 74 ASN ND2 . 25401 1 898 . 1 1 75 75 GLY H H 1 8.275 0.02 . . . . . . 75 GLY H . 25401 1 899 . 1 1 75 75 GLY HA2 H 1 4.013 0.02 . . . . . . 75 GLY HA2 . 25401 1 900 . 1 1 75 75 GLY HA3 H 1 3.846 0.02 . . . . . . 75 GLY HA3 . 25401 1 901 . 1 1 75 75 GLY C C 13 175.007 0.1 . . . . . . 75 GLY C . 25401 1 902 . 1 1 75 75 GLY CA C 13 46.079 0.1 . . . . . . 75 GLY CA . 25401 1 903 . 1 1 75 75 GLY N N 15 107.247 0.1 . . . . . . 75 GLY N . 25401 1 904 . 1 1 76 76 LYS H H 1 7.769 0.02 . . . . . . 76 LYS H . 25401 1 905 . 1 1 76 76 LYS HA H 1 4.327 0.02 . . . . . . 76 LYS HA . 25401 1 906 . 1 1 76 76 LYS HB2 H 1 1.908 0.02 . . . . . . 76 LYS HB2 . 25401 1 907 . 1 1 76 76 LYS HB3 H 1 1.690 0.02 . . . . . . 76 LYS HB3 . 25401 1 908 . 1 1 76 76 LYS HG2 H 1 1.397 0.02 . . . . . . 76 LYS QG . 25401 1 909 . 1 1 76 76 LYS HG3 H 1 1.397 0.02 . . . . . . 76 LYS QG . 25401 1 910 . 1 1 76 76 LYS HD2 H 1 1.324 0.02 . . . . . . 76 LYS QD . 25401 1 911 . 1 1 76 76 LYS HD3 H 1 1.324 0.02 . . . . . . 76 LYS QD . 25401 1 912 . 1 1 76 76 LYS HE2 H 1 2.956 0.02 . . . . . . 76 LYS QE . 25401 1 913 . 1 1 76 76 LYS HE3 H 1 2.956 0.02 . . . . . . 76 LYS QE . 25401 1 914 . 1 1 76 76 LYS C C 13 177.176 0.1 . . . . . . 76 LYS C . 25401 1 915 . 1 1 76 76 LYS CA C 13 56.180 0.1 . . . . . . 76 LYS CA . 25401 1 916 . 1 1 76 76 LYS CB C 13 32.781 0.1 . . . . . . 76 LYS CB . 25401 1 917 . 1 1 76 76 LYS CG C 13 25.283 0.1 . . . . . . 76 LYS CG . 25401 1 918 . 1 1 76 76 LYS CD C 13 29.128 0.1 . . . . . . 76 LYS CD . 25401 1 919 . 1 1 76 76 LYS CE C 13 42.407 0.1 . . . . . . 76 LYS CE . 25401 1 920 . 1 1 76 76 LYS N N 15 119.128 0.1 . . . . . . 76 LYS N . 25401 1 921 . 1 1 77 77 GLY H H 1 8.317 0.02 . . . . . . 77 GLY H . 25401 1 922 . 1 1 77 77 GLY HA2 H 1 3.952 0.02 . . . . . . 77 GLY HA2 . 25401 1 923 . 1 1 77 77 GLY HA3 H 1 3.866 0.02 . . . . . . 77 GLY HA3 . 25401 1 924 . 1 1 77 77 GLY C C 13 173.285 0.1 . . . . . . 77 GLY C . 25401 1 925 . 1 1 77 77 GLY CA C 13 45.272 0.1 . . . . . . 77 GLY CA . 25401 1 926 . 1 1 77 77 GLY N N 15 108.797 0.1 . . . . . . 77 GLY N . 25401 1 927 . 1 1 78 78 ASN H H 1 7.738 0.02 . . . . . . 78 ASN H . 25401 1 928 . 1 1 78 78 ASN HA H 1 4.677 0.02 . . . . . . 78 ASN HA . 25401 1 929 . 1 1 78 78 ASN HB2 H 1 2.672 0.02 . . . . . . 78 ASN HB2 . 25401 1 930 . 1 1 78 78 ASN HB3 H 1 2.530 0.02 . . . . . . 78 ASN HB3 . 25401 1 931 . 1 1 78 78 ASN HD21 H 1 7.437 0.02 . . . . . . 78 ASN HD21 . 25401 1 932 . 1 1 78 78 ASN HD22 H 1 6.596 0.02 . . . . . . 78 ASN HD22 . 25401 1 933 . 1 1 78 78 ASN C C 13 174.576 0.1 . . . . . . 78 ASN C . 25401 1 934 . 1 1 78 78 ASN CA C 13 52.846 0.1 . . . . . . 78 ASN CA . 25401 1 935 . 1 1 78 78 ASN CB C 13 39.037 0.1 . . . . . . 78 ASN CB . 25401 1 936 . 1 1 78 78 ASN N N 15 119.642 0.1 . . . . . . 78 ASN N . 25401 1 937 . 1 1 78 78 ASN ND2 N 15 111.697 0.1 . . . . . . 78 ASN ND2 . 25401 1 938 . 1 1 79 79 VAL H H 1 7.882 0.02 . . . . . . 79 VAL H . 25401 1 939 . 1 1 79 79 VAL HA H 1 3.830 0.02 . . . . . . 79 VAL HA . 25401 1 940 . 1 1 79 79 VAL HB H 1 1.895 0.02 . . . . . . 79 VAL HB . 25401 1 941 . 1 1 79 79 VAL HG11 H 1 0.725 0.02 . . . . . . 79 VAL QG1 . 25401 1 942 . 1 1 79 79 VAL HG12 H 1 0.725 0.02 . . . . . . 79 VAL QG1 . 25401 1 943 . 1 1 79 79 VAL HG13 H 1 0.725 0.02 . . . . . . 79 VAL QG1 . 25401 1 944 . 1 1 79 79 VAL HG21 H 1 0.745 0.02 . . . . . . 79 VAL QG2 . 25401 1 945 . 1 1 79 79 VAL HG22 H 1 0.745 0.02 . . . . . . 79 VAL QG2 . 25401 1 946 . 1 1 79 79 VAL HG23 H 1 0.745 0.02 . . . . . . 79 VAL QG2 . 25401 1 947 . 1 1 79 79 VAL C C 13 176.120 0.1 . . . . . . 79 VAL C . 25401 1 948 . 1 1 79 79 VAL CA C 13 62.770 0.1 . . . . . . 79 VAL CA . 25401 1 949 . 1 1 79 79 VAL CB C 13 32.982 0.1 . . . . . . 79 VAL CB . 25401 1 950 . 1 1 79 79 VAL CG1 C 13 21.194 0.1 . . . . . . 79 VAL CG1 . 25401 1 951 . 1 1 79 79 VAL CG2 C 13 20.698 0.1 . . . . . . 79 VAL CG2 . 25401 1 952 . 1 1 79 79 VAL N N 15 120.201 0.1 . . . . . . 79 VAL N . 25401 1 953 . 1 1 80 80 CYS H H 1 8.283 0.02 . . . . . . 80 CYS H . 25401 1 954 . 1 1 80 80 CYS HA H 1 4.839 0.02 . . . . . . 80 CYS HA . 25401 1 955 . 1 1 80 80 CYS HB2 H 1 2.836 0.02 . . . . . . 80 CYS HB2 . 25401 1 956 . 1 1 80 80 CYS HB3 H 1 2.749 0.02 . . . . . . 80 CYS HB3 . 25401 1 957 . 1 1 80 80 CYS C C 13 174.296 0.1 . . . . . . 80 CYS C . 25401 1 958 . 1 1 80 80 CYS CA C 13 54.486 0.1 . . . . . . 80 CYS CA . 25401 1 959 . 1 1 80 80 CYS CB C 13 43.809 0.1 . . . . . . 80 CYS CB . 25401 1 960 . 1 1 80 80 CYS N N 15 120.413 0.1 . . . . . . 80 CYS N . 25401 1 961 . 1 1 81 81 HIS H H 1 8.047 0.02 . . . . . . 81 HIS H . 25401 1 962 . 1 1 81 81 HIS HA H 1 4.593 0.02 . . . . . . 81 HIS HA . 25401 1 963 . 1 1 81 81 HIS HB2 H 1 3.156 0.02 . . . . . . 81 HIS HB2 . 25401 1 964 . 1 1 81 81 HIS HB3 H 1 2.974 0.02 . . . . . . 81 HIS HB3 . 25401 1 965 . 1 1 81 81 HIS HD2 H 1 7.075 0.02 . . . . . . 81 HIS HD2 . 25401 1 966 . 1 1 81 81 HIS C C 13 175.072 0.1 . . . . . . 81 HIS C . 25401 1 967 . 1 1 81 81 HIS CA C 13 56.457 0.1 . . . . . . 81 HIS CA . 25401 1 968 . 1 1 81 81 HIS CB C 13 32.480 0.1 . . . . . . 81 HIS CB . 25401 1 969 . 1 1 81 81 HIS CD2 C 13 120.141 0.1 . . . . . . 81 HIS CD2 . 25401 1 970 . 1 1 81 81 HIS N N 15 121.936 0.1 . . . . . . 81 HIS N . 25401 1 971 . 1 1 82 82 ARG H H 1 8.617 0.02 . . . . . . 82 ARG H . 25401 1 972 . 1 1 82 82 ARG HA H 1 4.498 0.02 . . . . . . 82 ARG HA . 25401 1 973 . 1 1 82 82 ARG HB2 H 1 1.819 0.02 . . . . . . 82 ARG HB2 . 25401 1 974 . 1 1 82 82 ARG HB3 H 1 1.700 0.02 . . . . . . 82 ARG HB3 . 25401 1 975 . 1 1 82 82 ARG HG2 H 1 1.594 0.02 . . . . . . 82 ARG QG . 25401 1 976 . 1 1 82 82 ARG HG3 H 1 1.594 0.02 . . . . . . 82 ARG QG . 25401 1 977 . 1 1 82 82 ARG HD2 H 1 3.120 0.02 . . . . . . 82 ARG QD . 25401 1 978 . 1 1 82 82 ARG HD3 H 1 3.120 0.02 . . . . . . 82 ARG QD . 25401 1 979 . 1 1 82 82 ARG C C 13 175.905 0.1 . . . . . . 82 ARG C . 25401 1 980 . 1 1 82 82 ARG CA C 13 56.180 0.1 . . . . . . 82 ARG CA . 25401 1 981 . 1 1 82 82 ARG CB C 13 31.858 0.1 . . . . . . 82 ARG CB . 25401 1 982 . 1 1 82 82 ARG CG C 13 27.812 0.1 . . . . . . 82 ARG CG . 25401 1 983 . 1 1 82 82 ARG CD C 13 43.900 0.1 . . . . . . 82 ARG CD . 25401 1 984 . 1 1 82 82 ARG N N 15 122.589 0.1 . . . . . . 82 ARG N . 25401 1 985 . 1 1 83 83 LYS H H 1 8.528 0.02 . . . . . . 83 LYS H . 25401 1 986 . 1 1 83 83 LYS HA H 1 4.277 0.02 . . . . . . 83 LYS HA . 25401 1 987 . 1 1 83 83 LYS HB2 H 1 1.792 0.02 . . . . . . 83 LYS HB2 . 25401 1 988 . 1 1 83 83 LYS HB3 H 1 1.673 0.02 . . . . . . 83 LYS HB3 . 25401 1 989 . 1 1 83 83 LYS HG2 H 1 1.392 0.02 . . . . . . 83 LYS QG . 25401 1 990 . 1 1 83 83 LYS HG3 H 1 1.392 0.02 . . . . . . 83 LYS QG . 25401 1 991 . 1 1 83 83 LYS HE2 H 1 2.948 0.02 . . . . . . 83 LYS QE . 25401 1 992 . 1 1 83 83 LYS HE3 H 1 2.948 0.02 . . . . . . 83 LYS QE . 25401 1 993 . 1 1 83 83 LYS C C 13 176.270 0.1 . . . . . . 83 LYS C . 25401 1 994 . 1 1 83 83 LYS CA C 13 56.664 0.1 . . . . . . 83 LYS CA . 25401 1 995 . 1 1 83 83 LYS CB C 13 33.779 0.1 . . . . . . 83 LYS CB . 25401 1 996 . 1 1 83 83 LYS CG C 13 25.182 0.1 . . . . . . 83 LYS CG . 25401 1 997 . 1 1 83 83 LYS CE C 13 42.191 0.1 . . . . . . 83 LYS CE . 25401 1 998 . 1 1 83 83 LYS N N 15 124.179 0.1 . . . . . . 83 LYS N . 25401 1 999 . 1 1 84 84 LYS H H 1 8.516 0.02 . . . . . . 84 LYS H . 25401 1 1000 . 1 1 84 84 LYS HA H 1 4.262 0.02 . . . . . . 84 LYS HA . 25401 1 1001 . 1 1 84 84 LYS HB2 H 1 1.674 0.02 . . . . . . 84 LYS QB . 25401 1 1002 . 1 1 84 84 LYS HB3 H 1 1.674 0.02 . . . . . . 84 LYS QB . 25401 1 1003 . 1 1 84 84 LYS HG2 H 1 1.398 0.02 . . . . . . 84 LYS QG . 25401 1 1004 . 1 1 84 84 LYS HG3 H 1 1.398 0.02 . . . . . . 84 LYS QG . 25401 1 1005 . 1 1 84 84 LYS HD2 H 1 1.324 0.02 . . . . . . 84 LYS QD . 25401 1 1006 . 1 1 84 84 LYS HD3 H 1 1.324 0.02 . . . . . . 84 LYS QD . 25401 1 1007 . 1 1 84 84 LYS HE2 H 1 2.950 0.02 . . . . . . 84 LYS QE . 25401 1 1008 . 1 1 84 84 LYS HE3 H 1 2.950 0.02 . . . . . . 84 LYS QE . 25401 1 1009 . 1 1 84 84 LYS C C 13 176.270 0.1 . . . . . . 84 LYS C . 25401 1 1010 . 1 1 84 84 LYS CA C 13 56.603 0.1 . . . . . . 84 LYS CA . 25401 1 1011 . 1 1 84 84 LYS CB C 13 33.320 0.1 . . . . . . 84 LYS CB . 25401 1 1012 . 1 1 84 84 LYS CG C 13 25.081 0.1 . . . . . . 84 LYS CG . 25401 1 1013 . 1 1 84 84 LYS CD C 13 29.482 0.1 . . . . . . 84 LYS CD . 25401 1 1014 . 1 1 84 84 LYS CE C 13 42.407 0.1 . . . . . . 84 LYS CE . 25401 1 1015 . 1 1 84 84 LYS N N 15 125.283 0.1 . . . . . . 84 LYS N . 25401 1 1016 . 1 1 85 85 HIS H H 1 8.402 0.02 . . . . . . 85 HIS H . 25401 1 1017 . 1 1 85 85 HIS HA H 1 4.481 0.02 . . . . . . 85 HIS HA . 25401 1 1018 . 1 1 85 85 HIS HB2 H 1 3.096 0.02 . . . . . . 85 HIS HB2 . 25401 1 1019 . 1 1 85 85 HIS HB3 H 1 2.814 0.02 . . . . . . 85 HIS HB3 . 25401 1 1020 . 1 1 85 85 HIS HD2 H 1 7.043 0.02 . . . . . . 85 HIS HD2 . 25401 1 1021 . 1 1 85 85 HIS CA C 13 57.405 0.1 . . . . . . 85 HIS CA . 25401 1 1022 . 1 1 85 85 HIS CB C 13 31.509 0.1 . . . . . . 85 HIS CB . 25401 1 1023 . 1 1 85 85 HIS CD2 C 13 119.105 0.1 . . . . . . 85 HIS CD2 . 25401 1 1024 . 1 1 85 85 HIS N N 15 120.570 0.1 . . . . . . 85 HIS N . 25401 1 1025 . 1 1 86 86 HIS HA H 1 4.567 0.02 . . . . . . 86 HIS HA . 25401 1 1026 . 1 1 86 86 HIS HB2 H 1 2.985 0.02 . . . . . . 86 HIS QB . 25401 1 1027 . 1 1 86 86 HIS HB3 H 1 2.985 0.02 . . . . . . 86 HIS QB . 25401 1 1028 . 1 1 86 86 HIS HD2 H 1 6.976 0.02 . . . . . . 86 HIS HD2 . 25401 1 1029 . 1 1 86 86 HIS C C 13 175.546 0.1 . . . . . . 86 HIS C . 25401 1 1030 . 1 1 86 86 HIS CA C 13 56.169 0.1 . . . . . . 86 HIS CA . 25401 1 1031 . 1 1 86 86 HIS CB C 13 31.346 0.1 . . . . . . 86 HIS CB . 25401 1 1032 . 1 1 86 86 HIS CD2 C 13 120.658 0.1 . . . . . . 86 HIS CD2 . 25401 1 1033 . 1 1 87 87 GLY H H 1 8.339 0.02 . . . . . . 87 GLY H . 25401 1 1034 . 1 1 87 87 GLY HA2 H 1 3.955 0.02 . . . . . . 87 GLY HA2 . 25401 1 1035 . 1 1 87 87 GLY HA3 H 1 3.861 0.02 . . . . . . 87 GLY HA3 . 25401 1 1036 . 1 1 87 87 GLY C C 13 174.142 0.1 . . . . . . 87 GLY C . 25401 1 1037 . 1 1 87 87 GLY CA C 13 45.402 0.1 . . . . . . 87 GLY CA . 25401 1 1038 . 1 1 87 87 GLY N N 15 110.516 0.1 . . . . . . 87 GLY N . 25401 1 1039 . 1 1 88 88 LYS H H 1 8.249 0.02 . . . . . . 88 LYS H . 25401 1 1040 . 1 1 88 88 LYS HA H 1 4.228 0.02 . . . . . . 88 LYS HA . 25401 1 1041 . 1 1 88 88 LYS HB2 H 1 1.683 0.02 . . . . . . 88 LYS QB . 25401 1 1042 . 1 1 88 88 LYS HB3 H 1 1.683 0.02 . . . . . . 88 LYS QB . 25401 1 1043 . 1 1 88 88 LYS HG2 H 1 1.310 0.02 . . . . . . 88 LYS QG . 25401 1 1044 . 1 1 88 88 LYS HG3 H 1 1.310 0.02 . . . . . . 88 LYS QG . 25401 1 1045 . 1 1 88 88 LYS HD2 H 1 1.383 0.02 . . . . . . 88 LYS QD . 25401 1 1046 . 1 1 88 88 LYS HD3 H 1 1.383 0.02 . . . . . . 88 LYS QD . 25401 1 1047 . 1 1 88 88 LYS HE2 H 1 2.946 0.02 . . . . . . 88 LYS QE . 25401 1 1048 . 1 1 88 88 LYS HE3 H 1 2.946 0.02 . . . . . . 88 LYS QE . 25401 1 1049 . 1 1 88 88 LYS C C 13 176.831 0.1 . . . . . . 88 LYS C . 25401 1 1050 . 1 1 88 88 LYS CA C 13 56.413 0.1 . . . . . . 88 LYS CA . 25401 1 1051 . 1 1 88 88 LYS CB C 13 33.505 0.1 . . . . . . 88 LYS CB . 25401 1 1052 . 1 1 88 88 LYS CG C 13 25.182 0.1 . . . . . . 88 LYS CG . 25401 1 1053 . 1 1 88 88 LYS CD C 13 29.533 0.1 . . . . . . 88 LYS CD . 25401 1 1054 . 1 1 88 88 LYS CE C 13 41.867 0.1 . . . . . . 88 LYS CE . 25401 1 1055 . 1 1 88 88 LYS N N 15 119.837 0.1 . . . . . . 88 LYS N . 25401 1 1056 . 1 1 89 89 ARG H H 1 8.442 0.02 . . . . . . 89 ARG H . 25401 1 1057 . 1 1 89 89 ARG HA H 1 4.256 0.02 . . . . . . 89 ARG HA . 25401 1 1058 . 1 1 89 89 ARG HB2 H 1 1.796 0.02 . . . . . . 89 ARG QB . 25401 1 1059 . 1 1 89 89 ARG HB3 H 1 1.796 0.02 . . . . . . 89 ARG QB . 25401 1 1060 . 1 1 89 89 ARG HG2 H 1 1.579 0.02 . . . . . . 89 ARG QG . 25401 1 1061 . 1 1 89 89 ARG HG3 H 1 1.579 0.02 . . . . . . 89 ARG QG . 25401 1 1062 . 1 1 89 89 ARG HD2 H 1 3.131 0.02 . . . . . . 89 ARG QD . 25401 1 1063 . 1 1 89 89 ARG HD3 H 1 3.131 0.02 . . . . . . 89 ARG QD . 25401 1 1064 . 1 1 89 89 ARG C C 13 176.176 0.1 . . . . . . 89 ARG C . 25401 1 1065 . 1 1 89 89 ARG CA C 13 56.477 0.1 . . . . . . 89 ARG CA . 25401 1 1066 . 1 1 89 89 ARG CB C 13 30.863 0.1 . . . . . . 89 ARG CB . 25401 1 1067 . 1 1 89 89 ARG CG C 13 27.610 0.1 . . . . . . 89 ARG CG . 25401 1 1068 . 1 1 89 89 ARG CD C 13 43.698 0.1 . . . . . . 89 ARG CD . 25401 1 1069 . 1 1 89 89 ARG N N 15 122.836 0.1 . . . . . . 89 ARG N . 25401 1 1070 . 1 1 90 90 ASN H H 1 8.533 0.02 . . . . . . 90 ASN H . 25401 1 1071 . 1 1 90 90 ASN HA H 1 4.676 0.02 . . . . . . 90 ASN HA . 25401 1 1072 . 1 1 90 90 ASN HB2 H 1 2.722 0.02 . . . . . . 90 ASN QB . 25401 1 1073 . 1 1 90 90 ASN HB3 H 1 2.722 0.02 . . . . . . 90 ASN QB . 25401 1 1074 . 1 1 90 90 ASN HD21 H 1 7.451 0.02 . . . . . . 90 ASN HD21 . 25401 1 1075 . 1 1 90 90 ASN HD22 H 1 6.797 0.02 . . . . . . 90 ASN HD22 . 25401 1 1076 . 1 1 90 90 ASN C C 13 175.363 0.1 . . . . . . 90 ASN C . 25401 1 1077 . 1 1 90 90 ASN CA C 13 53.839 0.1 . . . . . . 90 ASN CA . 25401 1 1078 . 1 1 90 90 ASN CB C 13 39.147 0.1 . . . . . . 90 ASN CB . 25401 1 1079 . 1 1 90 90 ASN N N 15 120.701 0.1 . . . . . . 90 ASN N . 25401 1 1080 . 1 1 90 90 ASN ND2 N 15 112.706 0.1 . . . . . . 90 ASN ND2 . 25401 1 1081 . 1 1 91 91 SER H H 1 8.302 0.02 . . . . . . 91 SER H . 25401 1 1082 . 1 1 91 91 SER HA H 1 4.433 0.02 . . . . . . 91 SER HA . 25401 1 1083 . 1 1 91 91 SER HB2 H 1 3.866 0.02 . . . . . . 91 SER QB . 25401 1 1084 . 1 1 91 91 SER HB3 H 1 3.866 0.02 . . . . . . 91 SER QB . 25401 1 1085 . 1 1 91 91 SER C C 13 174.399 0.1 . . . . . . 91 SER C . 25401 1 1086 . 1 1 91 91 SER CA C 13 58.654 0.1 . . . . . . 91 SER CA . 25401 1 1087 . 1 1 91 91 SER CB C 13 64.172 0.1 . . . . . . 91 SER CB . 25401 1 1088 . 1 1 91 91 SER N N 15 116.662 0.1 . . . . . . 91 SER N . 25401 1 1089 . 1 1 92 92 ASN H H 1 8.368 0.02 . . . . . . 92 ASN H . 25401 1 1090 . 1 1 92 92 ASN HA H 1 4.662 0.02 . . . . . . 92 ASN HA . 25401 1 1091 . 1 1 92 92 ASN HB2 H 1 2.787 0.02 . . . . . . 92 ASN QB . 25401 1 1092 . 1 1 92 92 ASN HB3 H 1 2.787 0.02 . . . . . . 92 ASN QB . 25401 1 1093 . 1 1 92 92 ASN HD21 H 1 6.756 0.02 . . . . . . 92 ASN HD21 . 25401 1 1094 . 1 1 92 92 ASN HD22 H 1 6.267 0.02 . . . . . . 92 ASN HD22 . 25401 1 1095 . 1 1 92 92 ASN C C 13 175.390 0.1 . . . . . . 92 ASN C . 25401 1 1096 . 1 1 92 92 ASN CA C 13 53.579 0.1 . . . . . . 92 ASN CA . 25401 1 1097 . 1 1 92 92 ASN CB C 13 39.202 0.1 . . . . . . 92 ASN CB . 25401 1 1098 . 1 1 92 92 ASN N N 15 121.006 0.1 . . . . . . 92 ASN N . 25401 1 1099 . 1 1 92 92 ASN ND2 N 15 113.219 0.1 . . . . . . 92 ASN ND2 . 25401 1 1100 . 1 1 93 93 ARG H H 1 8.209 0.02 . . . . . . 93 ARG H . 25401 1 1101 . 1 1 93 93 ARG HA H 1 4.251 0.02 . . . . . . 93 ARG HA . 25401 1 1102 . 1 1 93 93 ARG HB2 H 1 1.795 0.02 . . . . . . 93 ARG HB2 . 25401 1 1103 . 1 1 93 93 ARG HB3 H 1 1.709 0.02 . . . . . . 93 ARG HB3 . 25401 1 1104 . 1 1 93 93 ARG HG2 H 1 1.588 0.02 . . . . . . 93 ARG QG . 25401 1 1105 . 1 1 93 93 ARG HG3 H 1 1.588 0.02 . . . . . . 93 ARG QG . 25401 1 1106 . 1 1 93 93 ARG HD2 H 1 3.127 0.02 . . . . . . 93 ARG QD . 25401 1 1107 . 1 1 93 93 ARG HD3 H 1 3.127 0.02 . . . . . . 93 ARG QD . 25401 1 1108 . 1 1 93 93 ARG C C 13 176.167 0.1 . . . . . . 93 ARG C . 25401 1 1109 . 1 1 93 93 ARG CA C 13 56.457 0.1 . . . . . . 93 ARG CA . 25401 1 1110 . 1 1 93 93 ARG CB C 13 30.862 0.1 . . . . . . 93 ARG CB . 25401 1 1111 . 1 1 93 93 ARG CG C 13 27.509 0.1 . . . . . . 93 ARG CG . 25401 1 1112 . 1 1 93 93 ARG CD C 13 43.496 0.1 . . . . . . 93 ARG CD . 25401 1 1113 . 1 1 93 93 ARG N N 15 121.537 0.1 . . . . . . 93 ARG N . 25401 1 1114 . 1 1 94 94 ALA H H 1 8.204 0.02 . . . . . . 94 ALA H . 25401 1 1115 . 1 1 94 94 ALA HA H 1 4.208 0.02 . . . . . . 94 ALA HA . 25401 1 1116 . 1 1 94 94 ALA HB1 H 1 1.270 0.02 . . . . . . 94 ALA HB . 25401 1 1117 . 1 1 94 94 ALA HB2 H 1 1.270 0.02 . . . . . . 94 ALA HB . 25401 1 1118 . 1 1 94 94 ALA HB3 H 1 1.270 0.02 . . . . . . 94 ALA HB . 25401 1 1119 . 1 1 94 94 ALA C C 13 177.692 0.1 . . . . . . 94 ALA C . 25401 1 1120 . 1 1 94 94 ALA CA C 13 52.948 0.1 . . . . . . 94 ALA CA . 25401 1 1121 . 1 1 94 94 ALA CB C 13 19.391 0.1 . . . . . . 94 ALA CB . 25401 1 1122 . 1 1 94 94 ALA N N 15 124.533 0.1 . . . . . . 94 ALA N . 25401 1 1123 . 1 1 95 95 HIS H H 1 8.223 0.02 . . . . . . 95 HIS H . 25401 1 1124 . 1 1 95 95 HIS HA H 1 4.566 0.02 . . . . . . 95 HIS HA . 25401 1 1125 . 1 1 95 95 HIS HB2 H 1 3.107 0.02 . . . . . . 95 HIS HB2 . 25401 1 1126 . 1 1 95 95 HIS HB3 H 1 3.034 0.02 . . . . . . 95 HIS HB3 . 25401 1 1127 . 1 1 95 95 HIS C C 13 175.297 0.1 . . . . . . 95 HIS C . 25401 1 1128 . 1 1 95 95 HIS CA C 13 56.331 0.1 . . . . . . 95 HIS CA . 25401 1 1129 . 1 1 95 95 HIS CB C 13 30.537 0.1 . . . . . . 95 HIS CB . 25401 1 1130 . 1 1 95 95 HIS N N 15 118.401 0.1 . . . . . . 95 HIS N . 25401 1 1131 . 1 1 96 96 GLN H H 1 8.203 0.02 . . . . . . 96 GLN H . 25401 1 1132 . 1 1 96 96 GLN HA H 1 4.282 0.02 . . . . . . 96 GLN HA . 25401 1 1133 . 1 1 96 96 GLN HB2 H 1 2.062 0.02 . . . . . . 96 GLN HB2 . 25401 1 1134 . 1 1 96 96 GLN HB3 H 1 1.914 0.02 . . . . . . 96 GLN HB3 . 25401 1 1135 . 1 1 96 96 GLN HG2 H 1 2.279 0.02 . . . . . . 96 GLN QG . 25401 1 1136 . 1 1 96 96 GLN HG3 H 1 2.279 0.02 . . . . . . 96 GLN QG . 25401 1 1137 . 1 1 96 96 GLN C C 13 176.295 0.1 . . . . . . 96 GLN C . 25401 1 1138 . 1 1 96 96 GLN CA C 13 56.157 0.1 . . . . . . 96 GLN CA . 25401 1 1139 . 1 1 96 96 GLN CB C 13 29.566 0.1 . . . . . . 96 GLN CB . 25401 1 1140 . 1 1 96 96 GLN CG C 13 34.086 0.1 . . . . . . 96 GLN CG . 25401 1 1141 . 1 1 96 96 GLN N N 15 121.698 0.1 . . . . . . 96 GLN N . 25401 1 1142 . 1 1 97 97 GLY H H 1 8.435 0.02 . . . . . . 97 GLY H . 25401 1 1143 . 1 1 97 97 GLY HA2 H 1 3.915 0.02 . . . . . . 97 GLY HA2 . 25401 1 1144 . 1 1 97 97 GLY HA3 H 1 3.829 0.02 . . . . . . 97 GLY HA3 . 25401 1 1145 . 1 1 97 97 GLY C C 13 173.996 0.1 . . . . . . 97 GLY C . 25401 1 1146 . 1 1 97 97 GLY CA C 13 45.348 0.1 . . . . . . 97 GLY CA . 25401 1 1147 . 1 1 97 97 GLY N N 15 110.344 0.1 . . . . . . 97 GLY N . 25401 1 1148 . 1 1 98 98 LYS H H 1 8.204 0.02 . . . . . . 98 LYS H . 25401 1 1149 . 1 1 98 98 LYS N N 15 120.902 0.1 . . . . . . 98 LYS N . 25401 1 1150 . 1 1 100 100 GLU HA H 1 4.241 0.02 . . . . . . 100 GLU HA . 25401 1 1151 . 1 1 100 100 GLU HB2 H 1 1.818 0.02 . . . . . . 100 GLU QB . 25401 1 1152 . 1 1 100 100 GLU HB3 H 1 1.818 0.02 . . . . . . 100 GLU QB . 25401 1 1153 . 1 1 100 100 GLU HG2 H 1 2.115 0.02 . . . . . . 100 GLU QG . 25401 1 1154 . 1 1 100 100 GLU HG3 H 1 2.115 0.02 . . . . . . 100 GLU QG . 25401 1 1155 . 1 1 100 100 GLU C C 13 176.445 0.1 . . . . . . 100 GLU C . 25401 1 1156 . 1 1 100 100 GLU CA C 13 56.755 0.1 . . . . . . 100 GLU CA . 25401 1 1157 . 1 1 100 100 GLU CB C 13 30.531 0.1 . . . . . . 100 GLU CB . 25401 1 1158 . 1 1 100 100 GLU CG C 13 36.514 0.1 . . . . . . 100 GLU CG . 25401 1 1159 . 1 1 101 101 THR H H 1 8.157 0.02 . . . . . . 101 THR H . 25401 1 1160 . 1 1 101 101 THR HA H 1 4.209 0.02 . . . . . . 101 THR HA . 25401 1 1161 . 1 1 101 101 THR HB H 1 4.074 0.02 . . . . . . 101 THR HB . 25401 1 1162 . 1 1 101 101 THR HG21 H 1 1.044 0.02 . . . . . . 101 THR QG2 . 25401 1 1163 . 1 1 101 101 THR HG22 H 1 1.044 0.02 . . . . . . 101 THR QG2 . 25401 1 1164 . 1 1 101 101 THR HG23 H 1 1.044 0.02 . . . . . . 101 THR QG2 . 25401 1 1165 . 1 1 101 101 THR C C 13 174.389 0.1 . . . . . . 101 THR C . 25401 1 1166 . 1 1 101 101 THR CA C 13 62.088 0.1 . . . . . . 101 THR CA . 25401 1 1167 . 1 1 101 101 THR CB C 13 70.099 0.1 . . . . . . 101 THR CB . 25401 1 1168 . 1 1 101 101 THR CG2 C 13 22.045 0.1 . . . . . . 101 THR CG2 . 25401 1 1169 . 1 1 101 101 THR N N 15 115.153 0.1 . . . . . . 101 THR N . 25401 1 1170 . 1 1 102 102 TYR H H 1 8.195 0.02 . . . . . . 102 TYR H . 25401 1 1171 . 1 1 102 102 TYR HA H 1 4.504 0.02 . . . . . . 102 TYR HA . 25401 1 1172 . 1 1 102 102 TYR HB2 H 1 3.019 0.02 . . . . . . 102 TYR HB2 . 25401 1 1173 . 1 1 102 102 TYR HB3 H 1 2.884 0.02 . . . . . . 102 TYR HB3 . 25401 1 1174 . 1 1 102 102 TYR HD1 H 1 7.045 0.02 . . . . . . 102 TYR QD . 25401 1 1175 . 1 1 102 102 TYR HD2 H 1 7.045 0.02 . . . . . . 102 TYR QD . 25401 1 1176 . 1 1 102 102 TYR HE1 H 1 6.763 0.02 . . . . . . 102 TYR QE . 25401 1 1177 . 1 1 102 102 TYR HE2 H 1 6.763 0.02 . . . . . . 102 TYR QE . 25401 1 1178 . 1 1 102 102 TYR C C 13 176.361 0.1 . . . . . . 102 TYR C . 25401 1 1179 . 1 1 102 102 TYR CA C 13 58.326 0.1 . . . . . . 102 TYR CA . 25401 1 1180 . 1 1 102 102 TYR CB C 13 38.767 0.1 . . . . . . 102 TYR CB . 25401 1 1181 . 1 1 102 102 TYR CD1 C 13 133.342 0.1 . . . . . . 102 TYR CD1 . 25401 1 1182 . 1 1 102 102 TYR CE1 C 13 118.329 0.1 . . . . . . 102 TYR CE1 . 25401 1 1183 . 1 1 102 102 TYR N N 15 122.527 0.1 . . . . . . 102 TYR N . 25401 1 1184 . 1 1 103 103 GLY H H 1 8.245 0.02 . . . . . . 103 GLY H . 25401 1 1185 . 1 1 103 103 GLY HA2 H 1 3.828 0.02 . . . . . . 103 GLY HA2 . 25401 1 1186 . 1 1 103 103 GLY HA3 H 1 3.762 0.02 . . . . . . 103 GLY HA3 . 25401 1 1187 . 1 1 103 103 GLY C C 13 173.900 0.1 . . . . . . 103 GLY C . 25401 1 1188 . 1 1 103 103 GLY CA C 13 45.424 0.1 . . . . . . 103 GLY CA . 25401 1 1189 . 1 1 103 103 GLY N N 15 110.491 0.1 . . . . . . 103 GLY N . 25401 1 1190 . 1 1 104 104 HIS H H 1 8.108 0.02 . . . . . . 104 HIS H . 25401 1 1191 . 1 1 104 104 HIS HA H 1 4.572 0.02 . . . . . . 104 HIS HA . 25401 1 1192 . 1 1 104 104 HIS HB2 H 1 3.091 0.02 . . . . . . 104 HIS HB2 . 25401 1 1193 . 1 1 104 104 HIS HB3 H 1 3.016 0.02 . . . . . . 104 HIS HB3 . 25401 1 1194 . 1 1 104 104 HIS C C 13 175.072 0.1 . . . . . . 104 HIS C . 25401 1 1195 . 1 1 104 104 HIS CA C 13 56.130 0.1 . . . . . . 104 HIS CA . 25401 1 1196 . 1 1 104 104 HIS CB C 13 30.751 0.1 . . . . . . 104 HIS CB . 25401 1 1197 . 1 1 104 104 HIS N N 15 119.004 0.1 . . . . . . 104 HIS N . 25401 1 1198 . 1 1 105 105 LYS H H 1 8.364 0.02 . . . . . . 105 LYS H . 25401 1 1199 . 1 1 105 105 LYS HA H 1 4.279 0.02 . . . . . . 105 LYS HA . 25401 1 1200 . 1 1 105 105 LYS HB2 H 1 1.787 0.02 . . . . . . 105 LYS HB2 . 25401 1 1201 . 1 1 105 105 LYS HB3 H 1 1.679 0.02 . . . . . . 105 LYS HB3 . 25401 1 1202 . 1 1 105 105 LYS HG2 H 1 1.393 0.02 . . . . . . 105 LYS QG . 25401 1 1203 . 1 1 105 105 LYS HG3 H 1 1.393 0.02 . . . . . . 105 LYS QG . 25401 1 1204 . 1 1 105 105 LYS HD2 H 1 1.317 0.02 . . . . . . 105 LYS QD . 25401 1 1205 . 1 1 105 105 LYS HD3 H 1 1.317 0.02 . . . . . . 105 LYS QD . 25401 1 1206 . 1 1 105 105 LYS HE2 H 1 2.954 0.02 . . . . . . 105 LYS QE . 25401 1 1207 . 1 1 105 105 LYS HE3 H 1 2.954 0.02 . . . . . . 105 LYS QE . 25401 1 1208 . 1 1 105 105 LYS C C 13 175.885 0.1 . . . . . . 105 LYS C . 25401 1 1209 . 1 1 105 105 LYS CA C 13 56.505 0.1 . . . . . . 105 LYS CA . 25401 1 1210 . 1 1 105 105 LYS CB C 13 33.301 0.1 . . . . . . 105 LYS CB . 25401 1 1211 . 1 1 105 105 LYS CG C 13 24.979 0.1 . . . . . . 105 LYS CG . 25401 1 1212 . 1 1 105 105 LYS CD C 13 29.533 0.1 . . . . . . 105 LYS CD . 25401 1 1213 . 1 1 105 105 LYS CE C 13 42.180 0.1 . . . . . . 105 LYS CE . 25401 1 1214 . 1 1 105 105 LYS N N 15 122.651 0.1 . . . . . . 105 LYS N . 25401 1 1215 . 1 1 106 106 THR H H 1 8.421 0.02 . . . . . . 106 THR H . 25401 1 1216 . 1 1 106 106 THR C C 13 173.054 0.1 . . . . . . 106 THR C . 25401 1 1217 . 1 1 106 106 THR N N 15 128.120 0.1 . . . . . . 106 THR N . 25401 1 1218 . 1 1 107 107 PRO HA H 1 4.609 0.02 . . . . . . 107 PRO HA . 25401 1 1219 . 1 1 107 107 PRO HB2 H 1 2.246 0.02 . . . . . . 107 PRO HB2 . 25401 1 1220 . 1 1 107 107 PRO HB3 H 1 2.051 0.02 . . . . . . 107 PRO HB3 . 25401 1 1221 . 1 1 107 107 PRO HG2 H 1 1.588 0.02 . . . . . . 107 PRO HG2 . 25401 1 1222 . 1 1 107 107 PRO HG3 H 1 1.831 0.02 . . . . . . 107 PRO HG3 . 25401 1 1223 . 1 1 107 107 PRO HD2 H 1 3.424 0.02 . . . . . . 107 PRO HD2 . 25401 1 1224 . 1 1 107 107 PRO HD3 H 1 3.491 0.02 . . . . . . 107 PRO HD3 . 25401 1 1225 . 1 1 107 107 PRO C C 13 175.367 0.1 . . . . . . 107 PRO C . 25401 1 1226 . 1 1 107 107 PRO CA C 13 63.231 0.1 . . . . . . 107 PRO CA . 25401 1 1227 . 1 1 107 107 PRO CB C 13 34.422 0.1 . . . . . . 107 PRO CB . 25401 1 1228 . 1 1 107 107 PRO CG C 13 24.387 0.1 . . . . . . 107 PRO CG . 25401 1 1229 . 1 1 107 107 PRO CD C 13 50.283 0.1 . . . . . . 107 PRO CD . 25401 1 1230 . 1 1 108 108 TYR H H 1 7.353 0.02 . . . . . . 108 TYR H . 25401 1 1231 . 1 1 108 108 TYR HA H 1 4.322 0.02 . . . . . . 108 TYR HA . 25401 1 1232 . 1 1 108 108 TYR HB2 H 1 3.007 0.02 . . . . . . 108 TYR HB2 . 25401 1 1233 . 1 1 108 108 TYR HB3 H 1 2.874 0.02 . . . . . . 108 TYR HB3 . 25401 1 1234 . 1 1 108 108 TYR HD1 H 1 7.042 0.02 . . . . . . 108 TYR QD . 25401 1 1235 . 1 1 108 108 TYR HD2 H 1 7.042 0.02 . . . . . . 108 TYR QD . 25401 1 1236 . 1 1 108 108 TYR HE1 H 1 6.755 0.02 . . . . . . 108 TYR QE . 25401 1 1237 . 1 1 108 108 TYR HE2 H 1 6.755 0.02 . . . . . . 108 TYR QE . 25401 1 1238 . 1 1 108 108 TYR CA C 13 59.347 0.1 . . . . . . 108 TYR CA . 25401 1 1239 . 1 1 108 108 TYR CB C 13 39.601 0.1 . . . . . . 108 TYR CB . 25401 1 1240 . 1 1 108 108 TYR CD1 C 13 133.342 0.1 . . . . . . 108 TYR CD1 . 25401 1 1241 . 1 1 108 108 TYR CE1 C 13 118.329 0.1 . . . . . . 108 TYR CE1 . 25401 1 1242 . 1 1 108 108 TYR N N 15 124.019 0.1 . . . . . . 108 TYR N . 25401 1 stop_ save_