data_19436 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19436 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for murine norovirus NS1/2 D94E mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-18 _Entry.Accession_date 2013-08-18 _Entry.Last_release_date . _Entry.Original_release_date . _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 Brendan Borin . . . 19436 2 Andrzej Krezel . M. . 19436 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19436 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Norovirus, NS1/2, NMR' . 19436 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19436 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 529 19436 '15N chemical shifts' 75 19436 '13C chemical shifts' 307 19436 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 2 . . 2013-12-19 2013-08-18 update BMRB 'add related entries' 19436 1 . . 2013-12-16 2013-08-18 original author 'original release' 19436 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mcd 'BMRB Entry Tracking System' 19436 PDB 2mch 'murine norovirus NS1/2 CW3 WT' 19436 BMRB 19439 'murine norovirus NS1/2 CW3 WT' 19436 PDB 2mck 'murine norovirus CR6 NS1/2 protein' 19436 BMRB 19444 'murine norovirus CR6 NS1/2 protein' 19436 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19436 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24273131 _Citation.Full_citation . _Citation.Title 'Murine norovirus protein NS1/2 aspartate to glutamate mutation sufficient for persistence reorients sidechain of surface exposed tryptophan within a novel structured domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _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 2013 _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 Brendan Borin . N. . 19436 1 2 Wei Tang . . . 19436 1 3 Timothy Nice . J. . 19436 1 4 Broc McCune . T. . 19436 1 5 Herbert Virgin . W. . 19436 1 6 Andrzej Krezel . M. . 19436 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19436 _Assembly.ID 1 _Assembly.Name 'murine norovirus NS1/2 D94E mutant' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'murine norovirus NS1/2 D94E mutant' 1 $entity A . yes native no no . . . 19436 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19436 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGSVSFGAPSP LSSESEDEINYMTPPEQEAQ PGALAALHAEGPLAGLPVTR SDARVLIFNEWEERKKSEPW LRLDMSDKAIFRRYPHLR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'MRGSHHHHHHGS is a purification tag. The remainder of the sequence corresponds to residues 28-114.' _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation D94E _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11122.521 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MCD . "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Murine Norovirus Ns1/2 D94e Mutant" . . . . . 100.00 98 100.00 100.00 5.10e-64 . . . . 19436 1 2 no GB ABS29272 . "polyprotein, partial [Murine norovirus 5]" . . . . . 88.78 1660 100.00 100.00 1.15e-49 . . . . 19436 1 3 no GB ACS70958 . "polyprotein, partial [Murine norovirus 7]" . . . . . 88.78 1660 97.70 98.85 6.59e-48 . . . . 19436 1 4 no GB AET79289 . "polyprotein, partial [Murine norovirus]" . . . . . 83.67 1655 97.56 98.78 1.46e-44 . . . . 19436 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 17 MET . 19436 1 2 18 ARG . 19436 1 3 19 GLY . 19436 1 4 20 SER . 19436 1 5 21 HIS . 19436 1 6 22 HIS . 19436 1 7 23 HIS . 19436 1 8 24 HIS . 19436 1 9 25 HIS . 19436 1 10 26 HIS . 19436 1 11 27 GLY . 19436 1 12 28 SER . 19436 1 13 29 VAL . 19436 1 14 30 SER . 19436 1 15 31 PHE . 19436 1 16 32 GLY . 19436 1 17 33 ALA . 19436 1 18 34 PRO . 19436 1 19 35 SER . 19436 1 20 36 PRO . 19436 1 21 37 LEU . 19436 1 22 38 SER . 19436 1 23 39 SER . 19436 1 24 40 GLU . 19436 1 25 41 SER . 19436 1 26 42 GLU . 19436 1 27 43 ASP . 19436 1 28 44 GLU . 19436 1 29 45 ILE . 19436 1 30 46 ASN . 19436 1 31 47 TYR . 19436 1 32 48 MET . 19436 1 33 49 THR . 19436 1 34 50 PRO . 19436 1 35 51 PRO . 19436 1 36 52 GLU . 19436 1 37 53 GLN . 19436 1 38 54 GLU . 19436 1 39 55 ALA . 19436 1 40 56 GLN . 19436 1 41 57 PRO . 19436 1 42 58 GLY . 19436 1 43 59 ALA . 19436 1 44 60 LEU . 19436 1 45 61 ALA . 19436 1 46 62 ALA . 19436 1 47 63 LEU . 19436 1 48 64 HIS . 19436 1 49 65 ALA . 19436 1 50 66 GLU . 19436 1 51 67 GLY . 19436 1 52 68 PRO . 19436 1 53 69 LEU . 19436 1 54 70 ALA . 19436 1 55 71 GLY . 19436 1 56 72 LEU . 19436 1 57 73 PRO . 19436 1 58 74 VAL . 19436 1 59 75 THR . 19436 1 60 76 ARG . 19436 1 61 77 SER . 19436 1 62 78 ASP . 19436 1 63 79 ALA . 19436 1 64 80 ARG . 19436 1 65 81 VAL . 19436 1 66 82 LEU . 19436 1 67 83 ILE . 19436 1 68 84 PHE . 19436 1 69 85 ASN . 19436 1 70 86 GLU . 19436 1 71 87 TRP . 19436 1 72 88 GLU . 19436 1 73 89 GLU . 19436 1 74 90 ARG . 19436 1 75 91 LYS . 19436 1 76 92 LYS . 19436 1 77 93 SER . 19436 1 78 94 GLU . 19436 1 79 95 PRO . 19436 1 80 96 TRP . 19436 1 81 97 LEU . 19436 1 82 98 ARG . 19436 1 83 99 LEU . 19436 1 84 100 ASP . 19436 1 85 101 MET . 19436 1 86 102 SER . 19436 1 87 103 ASP . 19436 1 88 104 LYS . 19436 1 89 105 ALA . 19436 1 90 106 ILE . 19436 1 91 107 PHE . 19436 1 92 108 ARG . 19436 1 93 109 ARG . 19436 1 94 110 TYR . 19436 1 95 111 PRO . 19436 1 96 112 HIS . 19436 1 97 113 LEU . 19436 1 98 114 ARG . 19436 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 . MET 1 1 19436 1 . ARG 2 2 19436 1 . GLY 3 3 19436 1 . SER 4 4 19436 1 . HIS 5 5 19436 1 . HIS 6 6 19436 1 . HIS 7 7 19436 1 . HIS 8 8 19436 1 . HIS 9 9 19436 1 . HIS 10 10 19436 1 . GLY 11 11 19436 1 . SER 12 12 19436 1 . VAL 13 13 19436 1 . SER 14 14 19436 1 . PHE 15 15 19436 1 . GLY 16 16 19436 1 . ALA 17 17 19436 1 . PRO 18 18 19436 1 . SER 19 19 19436 1 . PRO 20 20 19436 1 . LEU 21 21 19436 1 . SER 22 22 19436 1 . SER 23 23 19436 1 . GLU 24 24 19436 1 . SER 25 25 19436 1 . GLU 26 26 19436 1 . ASP 27 27 19436 1 . GLU 28 28 19436 1 . ILE 29 29 19436 1 . ASN 30 30 19436 1 . TYR 31 31 19436 1 . MET 32 32 19436 1 . THR 33 33 19436 1 . PRO 34 34 19436 1 . PRO 35 35 19436 1 . GLU 36 36 19436 1 . GLN 37 37 19436 1 . GLU 38 38 19436 1 . ALA 39 39 19436 1 . GLN 40 40 19436 1 . PRO 41 41 19436 1 . GLY 42 42 19436 1 . ALA 43 43 19436 1 . LEU 44 44 19436 1 . ALA 45 45 19436 1 . ALA 46 46 19436 1 . LEU 47 47 19436 1 . HIS 48 48 19436 1 . ALA 49 49 19436 1 . GLU 50 50 19436 1 . GLY 51 51 19436 1 . PRO 52 52 19436 1 . LEU 53 53 19436 1 . ALA 54 54 19436 1 . GLY 55 55 19436 1 . LEU 56 56 19436 1 . PRO 57 57 19436 1 . VAL 58 58 19436 1 . THR 59 59 19436 1 . ARG 60 60 19436 1 . SER 61 61 19436 1 . ASP 62 62 19436 1 . ALA 63 63 19436 1 . ARG 64 64 19436 1 . VAL 65 65 19436 1 . LEU 66 66 19436 1 . ILE 67 67 19436 1 . PHE 68 68 19436 1 . ASN 69 69 19436 1 . GLU 70 70 19436 1 . TRP 71 71 19436 1 . GLU 72 72 19436 1 . GLU 73 73 19436 1 . ARG 74 74 19436 1 . LYS 75 75 19436 1 . LYS 76 76 19436 1 . SER 77 77 19436 1 . GLU 78 78 19436 1 . PRO 79 79 19436 1 . TRP 80 80 19436 1 . LEU 81 81 19436 1 . ARG 82 82 19436 1 . LEU 83 83 19436 1 . ASP 84 84 19436 1 . MET 85 85 19436 1 . SER 86 86 19436 1 . ASP 87 87 19436 1 . LYS 88 88 19436 1 . ALA 89 89 19436 1 . ILE 90 90 19436 1 . PHE 91 91 19436 1 . ARG 92 92 19436 1 . ARG 93 93 19436 1 . TYR 94 94 19436 1 . PRO 95 95 19436 1 . HIS 96 96 19436 1 . LEU 97 97 19436 1 . ARG 98 98 19436 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 19436 _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 $entity . 142786 organism . norovirus norovirus . . virus . norovirus . . . . . . . . . . . . . . . . . NS1/2 . . . . 19436 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 19436 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-BNK . . . . . . 19436 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19436 _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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19436 1 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 19436 1 3 entity '[U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 19436 1 4 DSS 'natural abundance' . . . . . . 0 . . mM . . . . 19436 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19436 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19436 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19436 _Sample.ID 2 _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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19436 2 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 19436 2 3 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 19436 2 4 DSS 'natural abundance' . . . . . . 0 . . mM . . . . 19436 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19436 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19436 2 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 19436 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.35 . M 19436 1 pH 7.5 . pH 19436 1 pressure 1 . atm 19436 1 temperature 273 . K 19436 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19436 _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' . . 19436 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19436 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19436 _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' . . 19436 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19436 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19436 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19436 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19436 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19436 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19436 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19436 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19436 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19436 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19436 5 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19436 _Software.ID 6 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19436 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19436 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 19436 _Software.ID 7 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 19436 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19436 7 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 19436 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19436 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19436 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19436 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19436 1 2 spectrometer_2 Bruker Avance . 800 . . . 19436 1 3 spectrometer_3 Bruker Avance . 900 . . . 19436 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 19436 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19436 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19436 1 3 CBCANH no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19436 1 4 CBCACONH no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19436 1 5 HCCCONH no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19436 1 6 CCCONH no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19436 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19436 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19436 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19436 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 19436 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19436 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19436 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19436 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 19436 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 CBCANH . . . 19436 1 2 HCCCONH . . . 19436 1 3 CCCONH . . . 19436 1 4 '2D 1H-15N HSQC' . . . 19436 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 14 14 SER H H 1 7.961 0.000 . 1 . . . A 30 SER H . 19436 1 2 . 1 1 14 14 SER N N 15 124.709 0.000 . 1 . . . A 30 SER N . 19436 1 3 . 1 1 17 17 ALA H H 1 8.210 0.004 . 1 . . . A 33 ALA H . 19436 1 4 . 1 1 17 17 ALA N N 15 125.234 0.016 . 1 . . . A 33 ALA N . 19436 1 5 . 1 1 18 18 PRO HA H 1 4.442 0.000 . 1 . . . A 34 PRO HA . 19436 1 6 . 1 1 18 18 PRO HB2 H 1 2.262 0.000 . 2 . . . A 34 PRO HB2 . 19436 1 7 . 1 1 18 18 PRO HB3 H 1 2.262 0.000 . 2 . . . A 34 PRO HB3 . 19436 1 8 . 1 1 18 18 PRO HG2 H 1 2.020 0.000 . 2 . . . A 34 PRO HG2 . 19436 1 9 . 1 1 18 18 PRO HG3 H 1 1.895 0.000 . 2 . . . A 34 PRO HG3 . 19436 1 10 . 1 1 18 18 PRO HD2 H 1 3.847 0.000 . 2 . . . A 34 PRO HD2 . 19436 1 11 . 1 1 18 18 PRO HD3 H 1 3.649 0.000 . 2 . . . A 34 PRO HD3 . 19436 1 12 . 1 1 18 18 PRO CA C 13 62.895 0.000 . 1 . . . A 34 PRO CA . 19436 1 13 . 1 1 18 18 PRO CB C 13 31.958 0.000 . 1 . . . A 34 PRO CB . 19436 1 14 . 1 1 18 18 PRO CG C 13 27.399 0.000 . 1 . . . A 34 PRO CG . 19436 1 15 . 1 1 18 18 PRO CD C 13 50.426 0.000 . 1 . . . A 34 PRO CD . 19436 1 16 . 1 1 19 19 SER H H 1 8.434 0.004 . 1 . . . A 35 SER H . 19436 1 17 . 1 1 19 19 SER N N 15 117.584 0.009 . 1 . . . A 35 SER N . 19436 1 18 . 1 1 20 20 PRO HA H 1 4.442 0.003 . 1 . . . A 36 PRO HA . 19436 1 19 . 1 1 20 20 PRO HD2 H 1 3.770 0.000 . 2 . . . A 36 PRO HD2 . 19436 1 20 . 1 1 20 20 PRO HD3 H 1 3.770 0.000 . 2 . . . A 36 PRO HD3 . 19436 1 21 . 1 1 20 20 PRO C C 13 176.912 0.000 . 1 . . . A 36 PRO C . 19436 1 22 . 1 1 20 20 PRO CA C 13 63.325 0.000 . 1 . . . A 36 PRO CA . 19436 1 23 . 1 1 20 20 PRO CB C 13 32.011 0.000 . 1 . . . A 36 PRO CB . 19436 1 24 . 1 1 20 20 PRO CG C 13 27.272 0.000 . 1 . . . A 36 PRO CG . 19436 1 25 . 1 1 20 20 PRO CD C 13 50.758 0.000 . 1 . . . A 36 PRO CD . 19436 1 26 . 1 1 21 21 LEU H H 1 8.281 0.004 . 1 . . . A 37 LEU H . 19436 1 27 . 1 1 21 21 LEU HA H 1 4.344 0.000 . 1 . . . A 37 LEU HA . 19436 1 28 . 1 1 21 21 LEU HB2 H 1 1.622 0.002 . 2 . . . A 37 LEU HB2 . 19436 1 29 . 1 1 21 21 LEU HB3 H 1 1.622 0.002 . 2 . . . A 37 LEU HB3 . 19436 1 30 . 1 1 21 21 LEU HD11 H 1 0.899 0.000 . 2 . . . A 37 LEU HD11 . 19436 1 31 . 1 1 21 21 LEU HD12 H 1 0.899 0.000 . 2 . . . A 37 LEU HD12 . 19436 1 32 . 1 1 21 21 LEU HD13 H 1 0.899 0.000 . 2 . . . A 37 LEU HD13 . 19436 1 33 . 1 1 21 21 LEU HD21 H 1 0.887 0.012 . 2 . . . A 37 LEU HD21 . 19436 1 34 . 1 1 21 21 LEU HD22 H 1 0.887 0.012 . 2 . . . A 37 LEU HD22 . 19436 1 35 . 1 1 21 21 LEU HD23 H 1 0.887 0.012 . 2 . . . A 37 LEU HD23 . 19436 1 36 . 1 1 21 21 LEU C C 13 177.549 0.022 . 1 . . . A 37 LEU C . 19436 1 37 . 1 1 21 21 LEU CA C 13 55.395 0.000 . 1 . . . A 37 LEU CA . 19436 1 38 . 1 1 21 21 LEU CB C 13 42.317 0.000 . 1 . . . A 37 LEU CB . 19436 1 39 . 1 1 21 21 LEU CG C 13 27.058 0.000 . 1 . . . A 37 LEU CG . 19436 1 40 . 1 1 21 21 LEU CD1 C 13 24.870 0.000 . 2 . . . A 37 LEU CD1 . 19436 1 41 . 1 1 21 21 LEU CD2 C 13 23.483 0.000 . 2 . . . A 37 LEU CD2 . 19436 1 42 . 1 1 21 21 LEU N N 15 121.539 0.006 . 1 . . . A 37 LEU N . 19436 1 43 . 1 1 22 22 SER H H 1 8.250 0.003 . 1 . . . A 38 SER H . 19436 1 44 . 1 1 22 22 SER HA H 1 4.464 0.000 . 1 . . . A 38 SER HA . 19436 1 45 . 1 1 22 22 SER HB2 H 1 3.879 0.000 . 2 . . . A 38 SER HB2 . 19436 1 46 . 1 1 22 22 SER HB3 H 1 3.879 0.000 . 2 . . . A 38 SER HB3 . 19436 1 47 . 1 1 22 22 SER C C 13 174.630 0.000 . 1 . . . A 38 SER C . 19436 1 48 . 1 1 22 22 SER CA C 13 58.262 0.000 . 1 . . . A 38 SER CA . 19436 1 49 . 1 1 22 22 SER CB C 13 63.883 0.000 . 1 . . . A 38 SER CB . 19436 1 50 . 1 1 22 22 SER N N 15 116.435 0.021 . 1 . . . A 38 SER N . 19436 1 51 . 1 1 23 23 SER H H 1 8.392 0.002 . 1 . . . A 39 SER H . 19436 1 52 . 1 1 23 23 SER HA H 1 4.481 0.001 . 1 . . . A 39 SER HA . 19436 1 53 . 1 1 23 23 SER HB2 H 1 3.876 0.000 . 2 . . . A 39 SER HB2 . 19436 1 54 . 1 1 23 23 SER HB3 H 1 3.876 0.000 . 2 . . . A 39 SER HB3 . 19436 1 55 . 1 1 23 23 SER C C 13 174.630 0.006 . 1 . . . A 39 SER C . 19436 1 56 . 1 1 23 23 SER CA C 13 58.511 0.000 . 1 . . . A 39 SER CA . 19436 1 57 . 1 1 23 23 SER CB C 13 63.827 0.000 . 1 . . . A 39 SER CB . 19436 1 58 . 1 1 23 23 SER N N 15 117.774 0.014 . 1 . . . A 39 SER N . 19436 1 59 . 1 1 24 24 GLU H H 1 8.458 0.005 . 1 . . . A 40 GLU H . 19436 1 60 . 1 1 24 24 GLU HA H 1 4.332 0.002 . 1 . . . A 40 GLU HA . 19436 1 61 . 1 1 24 24 GLU HB2 H 1 2.101 0.000 . 2 . . . A 40 GLU HB2 . 19436 1 62 . 1 1 24 24 GLU HB3 H 1 1.930 0.003 . 2 . . . A 40 GLU HB3 . 19436 1 63 . 1 1 24 24 GLU HG2 H 1 2.266 0.000 . 2 . . . A 40 GLU HG2 . 19436 1 64 . 1 1 24 24 GLU HG3 H 1 2.266 0.000 . 2 . . . A 40 GLU HG3 . 19436 1 65 . 1 1 24 24 GLU C C 13 176.591 0.001 . 1 . . . A 40 GLU C . 19436 1 66 . 1 1 24 24 GLU CA C 13 56.846 0.000 . 1 . . . A 40 GLU CA . 19436 1 67 . 1 1 24 24 GLU CB C 13 30.125 0.000 . 1 . . . A 40 GLU CB . 19436 1 68 . 1 1 24 24 GLU CG C 13 36.397 0.000 . 1 . . . A 40 GLU CG . 19436 1 69 . 1 1 24 24 GLU N N 15 122.440 0.006 . 1 . . . A 40 GLU N . 19436 1 70 . 1 1 25 25 SER H H 1 8.280 0.004 . 1 . . . A 41 SER H . 19436 1 71 . 1 1 25 25 SER HA H 1 4.449 0.005 . 1 . . . A 41 SER HA . 19436 1 72 . 1 1 25 25 SER HB2 H 1 3.865 0.001 . 2 . . . A 41 SER HB2 . 19436 1 73 . 1 1 25 25 SER HB3 H 1 3.865 0.001 . 2 . . . A 41 SER HB3 . 19436 1 74 . 1 1 25 25 SER C C 13 174.763 0.004 . 1 . . . A 41 SER C . 19436 1 75 . 1 1 25 25 SER CA C 13 58.455 0.000 . 1 . . . A 41 SER CA . 19436 1 76 . 1 1 25 25 SER CB C 13 64.002 0.000 . 1 . . . A 41 SER CB . 19436 1 77 . 1 1 25 25 SER N N 15 116.179 0.012 . 1 . . . A 41 SER N . 19436 1 78 . 1 1 26 26 GLU H H 1 8.488 0.004 . 1 . . . A 42 GLU H . 19436 1 79 . 1 1 26 26 GLU HA H 1 4.212 0.004 . 1 . . . A 42 GLU HA . 19436 1 80 . 1 1 26 26 GLU HB2 H 1 2.078 0.002 . 2 . . . A 42 GLU HB2 . 19436 1 81 . 1 1 26 26 GLU HB3 H 1 1.937 0.003 . 2 . . . A 42 GLU HB3 . 19436 1 82 . 1 1 26 26 GLU HG2 H 1 2.253 0.003 . 2 . . . A 42 GLU HG2 . 19436 1 83 . 1 1 26 26 GLU HG3 H 1 2.253 0.003 . 2 . . . A 42 GLU HG3 . 19436 1 84 . 1 1 26 26 GLU C C 13 176.344 0.000 . 1 . . . A 42 GLU C . 19436 1 85 . 1 1 26 26 GLU CA C 13 56.967 0.000 . 1 . . . A 42 GLU CA . 19436 1 86 . 1 1 26 26 GLU CB C 13 30.176 0.000 . 1 . . . A 42 GLU CB . 19436 1 87 . 1 1 26 26 GLU CG C 13 36.392 0.000 . 1 . . . A 42 GLU CG . 19436 1 88 . 1 1 26 26 GLU N N 15 122.989 0.012 . 1 . . . A 42 GLU N . 19436 1 89 . 1 1 27 27 ASP H H 1 8.271 0.004 . 1 . . . A 43 ASP H . 19436 1 90 . 1 1 27 27 ASP HA H 1 4.555 0.001 . 1 . . . A 43 ASP HA . 19436 1 91 . 1 1 27 27 ASP HB2 H 1 2.681 0.004 . 2 . . . A 43 ASP HB2 . 19436 1 92 . 1 1 27 27 ASP HB3 H 1 2.568 0.001 . 2 . . . A 43 ASP HB3 . 19436 1 93 . 1 1 27 27 ASP C C 13 176.345 0.000 . 1 . . . A 43 ASP C . 19436 1 94 . 1 1 27 27 ASP CA C 13 54.503 0.000 . 1 . . . A 43 ASP CA . 19436 1 95 . 1 1 27 27 ASP CB C 13 41.315 0.000 . 1 . . . A 43 ASP CB . 19436 1 96 . 1 1 27 27 ASP N N 15 120.638 0.041 . 1 . . . A 43 ASP N . 19436 1 97 . 1 1 28 28 GLU H H 1 8.237 0.003 . 1 . . . A 44 GLU H . 19436 1 98 . 1 1 28 28 GLU HA H 1 4.210 0.002 . 1 . . . A 44 GLU HA . 19436 1 99 . 1 1 28 28 GLU HB2 H 1 2.028 0.001 . 2 . . . A 44 GLU HB2 . 19436 1 100 . 1 1 28 28 GLU HB3 H 1 1.943 0.001 . 2 . . . A 44 GLU HB3 . 19436 1 101 . 1 1 28 28 GLU HG2 H 1 2.237 0.004 . 2 . . . A 44 GLU HG2 . 19436 1 102 . 1 1 28 28 GLU HG3 H 1 2.237 0.004 . 2 . . . A 44 GLU HG3 . 19436 1 103 . 1 1 28 28 GLU C C 13 176.645 0.005 . 1 . . . A 44 GLU C . 19436 1 104 . 1 1 28 28 GLU CA C 13 56.895 0.000 . 1 . . . A 44 GLU CA . 19436 1 105 . 1 1 28 28 GLU CB C 13 30.277 0.000 . 1 . . . A 44 GLU CB . 19436 1 106 . 1 1 28 28 GLU CG C 13 36.364 0.000 . 1 . . . A 44 GLU CG . 19436 1 107 . 1 1 28 28 GLU N N 15 121.032 0.015 . 1 . . . A 44 GLU N . 19436 1 108 . 1 1 29 29 ILE H H 1 8.092 0.003 . 1 . . . A 45 ILE H . 19436 1 109 . 1 1 29 29 ILE HA H 1 4.026 0.002 . 1 . . . A 45 ILE HA . 19436 1 110 . 1 1 29 29 ILE HB H 1 1.771 0.000 . 1 . . . A 45 ILE HB . 19436 1 111 . 1 1 29 29 ILE HG12 H 1 1.417 0.001 . 2 . . . A 45 ILE HG12 . 19436 1 112 . 1 1 29 29 ILE HG13 H 1 1.127 0.003 . 2 . . . A 45 ILE HG13 . 19436 1 113 . 1 1 29 29 ILE HG21 H 1 0.712 0.002 . 1 . . . A 45 ILE HG21 . 19436 1 114 . 1 1 29 29 ILE HG22 H 1 0.712 0.002 . 1 . . . A 45 ILE HG22 . 19436 1 115 . 1 1 29 29 ILE HG23 H 1 0.712 0.002 . 1 . . . A 45 ILE HG23 . 19436 1 116 . 1 1 29 29 ILE HD11 H 1 0.818 0.002 . 1 . . . A 45 ILE HD11 . 19436 1 117 . 1 1 29 29 ILE HD12 H 1 0.818 0.002 . 1 . . . A 45 ILE HD12 . 19436 1 118 . 1 1 29 29 ILE HD13 H 1 0.818 0.002 . 1 . . . A 45 ILE HD13 . 19436 1 119 . 1 1 29 29 ILE C C 13 175.882 0.002 . 1 . . . A 45 ILE C . 19436 1 120 . 1 1 29 29 ILE CA C 13 61.543 0.000 . 1 . . . A 45 ILE CA . 19436 1 121 . 1 1 29 29 ILE CB C 13 38.565 0.000 . 1 . . . A 45 ILE CB . 19436 1 122 . 1 1 29 29 ILE CG1 C 13 27.490 0.000 . 1 . . . A 45 ILE CG1 . 19436 1 123 . 1 1 29 29 ILE CG2 C 13 17.312 0.000 . 1 . . . A 45 ILE CG2 . 19436 1 124 . 1 1 29 29 ILE CD1 C 13 12.936 0.000 . 1 . . . A 45 ILE CD1 . 19436 1 125 . 1 1 29 29 ILE N N 15 121.490 0.015 . 1 . . . A 45 ILE N . 19436 1 126 . 1 1 30 30 ASN H H 1 8.324 0.003 . 1 . . . A 46 ASN H . 19436 1 127 . 1 1 30 30 ASN HA H 1 4.682 0.005 . 1 . . . A 46 ASN HA . 19436 1 128 . 1 1 30 30 ASN HB2 H 1 2.753 0.013 . 2 . . . A 46 ASN HB2 . 19436 1 129 . 1 1 30 30 ASN HB3 H 1 2.656 0.015 . 2 . . . A 46 ASN HB3 . 19436 1 130 . 1 1 30 30 ASN C C 13 174.843 0.012 . 1 . . . A 46 ASN C . 19436 1 131 . 1 1 30 30 ASN CA C 13 53.406 0.000 . 1 . . . A 46 ASN CA . 19436 1 132 . 1 1 30 30 ASN CB C 13 39.042 0.000 . 1 . . . A 46 ASN CB . 19436 1 133 . 1 1 30 30 ASN N N 15 121.987 0.012 . 1 . . . A 46 ASN N . 19436 1 134 . 1 1 31 31 TYR H H 1 8.066 0.004 . 1 . . . A 47 TYR H . 19436 1 135 . 1 1 31 31 TYR HA H 1 4.514 0.006 . 1 . . . A 47 TYR HA . 19436 1 136 . 1 1 31 31 TYR HB2 H 1 3.041 0.003 . 2 . . . A 47 TYR HB2 . 19436 1 137 . 1 1 31 31 TYR HB3 H 1 2.935 0.007 . 2 . . . A 47 TYR HB3 . 19436 1 138 . 1 1 31 31 TYR HD1 H 1 7.094 0.001 . 3 . . . A 47 TYR HD1 . 19436 1 139 . 1 1 31 31 TYR HD2 H 1 7.094 0.001 . 3 . . . A 47 TYR HD2 . 19436 1 140 . 1 1 31 31 TYR C C 13 175.538 0.000 . 1 . . . A 47 TYR C . 19436 1 141 . 1 1 31 31 TYR CA C 13 58.113 0.000 . 1 . . . A 47 TYR CA . 19436 1 142 . 1 1 31 31 TYR CB C 13 38.637 0.096 . 1 . . . A 47 TYR CB . 19436 1 143 . 1 1 31 31 TYR N N 15 120.946 0.028 . 1 . . . A 47 TYR N . 19436 1 144 . 1 1 32 32 MET H H 1 8.126 0.004 . 1 . . . A 48 MET H . 19436 1 145 . 1 1 32 32 MET HA H 1 4.458 0.000 . 1 . . . A 48 MET HA . 19436 1 146 . 1 1 32 32 MET HB2 H 1 1.979 0.015 . 2 . . . A 48 MET HB2 . 19436 1 147 . 1 1 32 32 MET HB3 H 1 1.979 0.015 . 2 . . . A 48 MET HB3 . 19436 1 148 . 1 1 32 32 MET HG2 H 1 2.511 0.000 . 2 . . . A 48 MET HG2 . 19436 1 149 . 1 1 32 32 MET HG3 H 1 2.375 0.000 . 2 . . . A 48 MET HG3 . 19436 1 150 . 1 1 32 32 MET C C 13 175.647 0.011 . 1 . . . A 48 MET C . 19436 1 151 . 1 1 32 32 MET CA C 13 55.294 0.000 . 1 . . . A 48 MET CA . 19436 1 152 . 1 1 32 32 MET CB C 13 33.127 0.000 . 1 . . . A 48 MET CB . 19436 1 153 . 1 1 32 32 MET CG C 13 31.869 0.000 . 1 . . . A 48 MET CG . 19436 1 154 . 1 1 32 32 MET N N 15 121.921 0.029 . 1 . . . A 48 MET N . 19436 1 155 . 1 1 33 33 THR H H 1 8.107 0.003 . 1 . . . A 49 THR H . 19436 1 156 . 1 1 33 33 THR HA H 1 4.461 0.000 . 1 . . . A 49 THR HA . 19436 1 157 . 1 1 33 33 THR HB H 1 4.072 0.000 . 1 . . . A 49 THR HB . 19436 1 158 . 1 1 33 33 THR HG21 H 1 1.234 0.001 . 1 . . . A 49 THR HG21 . 19436 1 159 . 1 1 33 33 THR HG22 H 1 1.234 0.001 . 1 . . . A 49 THR HG22 . 19436 1 160 . 1 1 33 33 THR HG23 H 1 1.234 0.001 . 1 . . . A 49 THR HG23 . 19436 1 161 . 1 1 33 33 THR C C 13 172.275 0.000 . 1 . . . A 49 THR C . 19436 1 162 . 1 1 33 33 THR CB C 13 69.723 0.000 . 1 . . . A 49 THR CB . 19436 1 163 . 1 1 33 33 THR N N 15 118.482 0.008 . 1 . . . A 49 THR N . 19436 1 164 . 1 1 35 35 PRO HA H 1 4.376 0.000 . 1 . . . A 51 PRO HA . 19436 1 165 . 1 1 35 35 PRO HB2 H 1 2.245 0.000 . 2 . . . A 51 PRO HB2 . 19436 1 166 . 1 1 35 35 PRO HB3 H 1 2.245 0.000 . 2 . . . A 51 PRO HB3 . 19436 1 167 . 1 1 35 35 PRO HG2 H 1 1.987 0.000 . 2 . . . A 51 PRO HG2 . 19436 1 168 . 1 1 35 35 PRO HG3 H 1 1.902 0.000 . 2 . . . A 51 PRO HG3 . 19436 1 169 . 1 1 35 35 PRO HD2 H 1 3.698 0.000 . 2 . . . A 51 PRO HD2 . 19436 1 170 . 1 1 35 35 PRO HD3 H 1 3.698 0.000 . 2 . . . A 51 PRO HD3 . 19436 1 171 . 1 1 35 35 PRO C C 13 177.266 0.000 . 1 . . . A 51 PRO C . 19436 1 172 . 1 1 35 35 PRO CA C 13 63.268 0.000 . 1 . . . A 51 PRO CA . 19436 1 173 . 1 1 35 35 PRO CB C 13 31.954 0.000 . 1 . . . A 51 PRO CB . 19436 1 174 . 1 1 35 35 PRO CG C 13 27.439 0.000 . 1 . . . A 51 PRO CG . 19436 1 175 . 1 1 35 35 PRO CD C 13 50.452 0.000 . 1 . . . A 51 PRO CD . 19436 1 176 . 1 1 36 36 GLU H H 1 8.600 0.003 . 1 . . . A 52 GLU H . 19436 1 177 . 1 1 36 36 GLU HA H 1 4.172 0.002 . 1 . . . A 52 GLU HA . 19436 1 178 . 1 1 36 36 GLU HB2 H 1 2.006 0.006 . 2 . . . A 52 GLU HB2 . 19436 1 179 . 1 1 36 36 GLU HB3 H 1 1.926 0.004 . 2 . . . A 52 GLU HB3 . 19436 1 180 . 1 1 36 36 GLU HG2 H 1 2.247 0.006 . 2 . . . A 52 GLU HG2 . 19436 1 181 . 1 1 36 36 GLU HG3 H 1 2.247 0.006 . 2 . . . A 52 GLU HG3 . 19436 1 182 . 1 1 36 36 GLU C C 13 176.750 0.008 . 1 . . . A 52 GLU C . 19436 1 183 . 1 1 36 36 GLU CA C 13 57.172 0.000 . 1 . . . A 52 GLU CA . 19436 1 184 . 1 1 36 36 GLU CB C 13 29.819 0.000 . 1 . . . A 52 GLU CB . 19436 1 185 . 1 1 36 36 GLU CG C 13 36.359 0.000 . 1 . . . A 52 GLU CG . 19436 1 186 . 1 1 36 36 GLU N N 15 120.148 0.018 . 1 . . . A 52 GLU N . 19436 1 187 . 1 1 37 37 GLN H H 1 8.281 0.004 . 1 . . . A 53 GLN H . 19436 1 188 . 1 1 37 37 GLN HA H 1 4.256 0.004 . 1 . . . A 53 GLN HA . 19436 1 189 . 1 1 37 37 GLN HB2 H 1 2.057 0.009 . 2 . . . A 53 GLN HB2 . 19436 1 190 . 1 1 37 37 GLN HB3 H 1 1.932 0.010 . 2 . . . A 53 GLN HB3 . 19436 1 191 . 1 1 37 37 GLN HG2 H 1 2.303 0.003 . 2 . . . A 53 GLN HG2 . 19436 1 192 . 1 1 37 37 GLN HG3 H 1 2.303 0.003 . 2 . . . A 53 GLN HG3 . 19436 1 193 . 1 1 37 37 GLN C C 13 175.773 0.000 . 1 . . . A 53 GLN C . 19436 1 194 . 1 1 37 37 GLN CA C 13 56.019 0.000 . 1 . . . A 53 GLN CA . 19436 1 195 . 1 1 37 37 GLN CB C 13 29.590 0.000 . 1 . . . A 53 GLN CB . 19436 1 196 . 1 1 37 37 GLN CG C 13 33.849 0.000 . 1 . . . A 53 GLN CG . 19436 1 197 . 1 1 37 37 GLN N N 15 120.416 0.018 . 1 . . . A 53 GLN N . 19436 1 198 . 1 1 38 38 GLU H H 1 8.281 0.003 . 1 . . . A 54 GLU H . 19436 1 199 . 1 1 38 38 GLU HA H 1 4.167 0.000 . 1 . . . A 54 GLU HA . 19436 1 200 . 1 1 38 38 GLU HB2 H 1 1.963 0.006 . 2 . . . A 54 GLU HB2 . 19436 1 201 . 1 1 38 38 GLU HB3 H 1 1.856 0.006 . 2 . . . A 54 GLU HB3 . 19436 1 202 . 1 1 38 38 GLU HG2 H 1 2.205 0.004 . 2 . . . A 54 GLU HG2 . 19436 1 203 . 1 1 38 38 GLU HG3 H 1 2.205 0.004 . 2 . . . A 54 GLU HG3 . 19436 1 204 . 1 1 38 38 GLU C C 13 175.786 0.007 . 1 . . . A 54 GLU C . 19436 1 205 . 1 1 38 38 GLU CA C 13 56.623 0.000 . 1 . . . A 54 GLU CA . 19436 1 206 . 1 1 38 38 GLU CB C 13 30.328 0.000 . 1 . . . A 54 GLU CB . 19436 1 207 . 1 1 38 38 GLU CG C 13 36.382 0.000 . 1 . . . A 54 GLU CG . 19436 1 208 . 1 1 38 38 GLU N N 15 121.548 0.017 . 1 . . . A 54 GLU N . 19436 1 209 . 1 1 39 39 ALA H H 1 8.049 0.004 . 1 . . . A 55 ALA H . 19436 1 210 . 1 1 39 39 ALA HA H 1 4.149 0.001 . 1 . . . A 55 ALA HA . 19436 1 211 . 1 1 39 39 ALA HB1 H 1 1.174 0.006 . 1 . . . A 55 ALA HB1 . 19436 1 212 . 1 1 39 39 ALA HB2 H 1 1.174 0.006 . 1 . . . A 55 ALA HB2 . 19436 1 213 . 1 1 39 39 ALA HB3 H 1 1.174 0.006 . 1 . . . A 55 ALA HB3 . 19436 1 214 . 1 1 39 39 ALA C C 13 176.838 0.009 . 1 . . . A 55 ALA C . 19436 1 215 . 1 1 39 39 ALA CA C 13 52.159 0.000 . 1 . . . A 55 ALA CA . 19436 1 216 . 1 1 39 39 ALA CB C 13 19.286 0.000 . 1 . . . A 55 ALA CB . 19436 1 217 . 1 1 39 39 ALA N N 15 124.473 0.011 . 1 . . . A 55 ALA N . 19436 1 218 . 1 1 40 40 GLN H H 1 8.131 0.009 . 1 . . . A 56 GLN H . 19436 1 219 . 1 1 40 40 GLN HA H 1 4.362 0.000 . 1 . . . A 56 GLN HA . 19436 1 220 . 1 1 40 40 GLN HB2 H 1 1.982 0.000 . 2 . . . A 56 GLN HB2 . 19436 1 221 . 1 1 40 40 GLN HB3 H 1 1.817 0.000 . 2 . . . A 56 GLN HB3 . 19436 1 222 . 1 1 40 40 GLN C C 13 174.004 0.000 . 1 . . . A 56 GLN C . 19436 1 223 . 1 1 40 40 GLN N N 15 120.535 0.036 . 1 . . . A 56 GLN N . 19436 1 224 . 1 1 41 41 PRO HA H 1 4.389 0.003 . 1 . . . A 57 PRO HA . 19436 1 225 . 1 1 41 41 PRO HB2 H 1 2.262 0.006 . 2 . . . A 57 PRO HB2 . 19436 1 226 . 1 1 41 41 PRO HB3 H 1 2.262 0.006 . 2 . . . A 57 PRO HB3 . 19436 1 227 . 1 1 41 41 PRO HG2 H 1 1.940 0.001 . 2 . . . A 57 PRO HG2 . 19436 1 228 . 1 1 41 41 PRO HG3 H 1 1.940 0.001 . 2 . . . A 57 PRO HG3 . 19436 1 229 . 1 1 41 41 PRO HD2 H 1 3.607 0.016 . 2 . . . A 57 PRO HD2 . 19436 1 230 . 1 1 41 41 PRO HD3 H 1 3.505 0.000 . 2 . . . A 57 PRO HD3 . 19436 1 231 . 1 1 41 41 PRO C C 13 177.484 0.000 . 1 . . . A 57 PRO C . 19436 1 232 . 1 1 41 41 PRO CA C 13 63.555 0.000 . 1 . . . A 57 PRO CA . 19436 1 233 . 1 1 41 41 PRO CB C 13 31.872 0.000 . 1 . . . A 57 PRO CB . 19436 1 234 . 1 1 41 41 PRO CG C 13 27.484 0.000 . 1 . . . A 57 PRO CG . 19436 1 235 . 1 1 41 41 PRO CD C 13 50.649 0.000 . 1 . . . A 57 PRO CD . 19436 1 236 . 1 1 42 42 GLY H H 1 8.511 0.003 . 1 . . . A 58 GLY H . 19436 1 237 . 1 1 42 42 GLY HA2 H 1 3.947 0.000 . 2 . . . A 58 GLY HA2 . 19436 1 238 . 1 1 42 42 GLY HA3 H 1 3.863 0.004 . 2 . . . A 58 GLY HA3 . 19436 1 239 . 1 1 42 42 GLY C C 13 173.572 0.009 . 1 . . . A 58 GLY C . 19436 1 240 . 1 1 42 42 GLY CA C 13 45.163 0.000 . 1 . . . A 58 GLY CA . 19436 1 241 . 1 1 42 42 GLY N N 15 110.099 0.010 . 1 . . . A 58 GLY N . 19436 1 242 . 1 1 43 43 ALA H H 1 7.908 0.004 . 1 . . . A 59 ALA H . 19436 1 243 . 1 1 43 43 ALA HA H 1 4.303 0.002 . 1 . . . A 59 ALA HA . 19436 1 244 . 1 1 43 43 ALA HB1 H 1 1.389 0.003 . 1 . . . A 59 ALA HB1 . 19436 1 245 . 1 1 43 43 ALA HB2 H 1 1.389 0.003 . 1 . . . A 59 ALA HB2 . 19436 1 246 . 1 1 43 43 ALA HB3 H 1 1.389 0.003 . 1 . . . A 59 ALA HB3 . 19436 1 247 . 1 1 43 43 ALA C C 13 176.889 0.002 . 1 . . . A 59 ALA C . 19436 1 248 . 1 1 43 43 ALA CA C 13 52.516 0.000 . 1 . . . A 59 ALA CA . 19436 1 249 . 1 1 43 43 ALA CB C 13 19.962 0.035 . 1 . . . A 59 ALA CB . 19436 1 250 . 1 1 43 43 ALA N N 15 122.659 0.016 . 1 . . . A 59 ALA N . 19436 1 251 . 1 1 44 44 LEU H H 1 8.146 0.004 . 1 . . . A 60 LEU H . 19436 1 252 . 1 1 44 44 LEU HA H 1 4.486 0.002 . 1 . . . A 60 LEU HA . 19436 1 253 . 1 1 44 44 LEU HB2 H 1 1.562 0.002 . 2 . . . A 60 LEU HB2 . 19436 1 254 . 1 1 44 44 LEU HB3 H 1 1.498 0.005 . 2 . . . A 60 LEU HB3 . 19436 1 255 . 1 1 44 44 LEU HG H 1 1.573 0.000 . 1 . . . A 60 LEU HG . 19436 1 256 . 1 1 44 44 LEU HD11 H 1 0.886 0.010 . 2 . . . A 60 LEU HD11 . 19436 1 257 . 1 1 44 44 LEU HD12 H 1 0.886 0.010 . 2 . . . A 60 LEU HD12 . 19436 1 258 . 1 1 44 44 LEU HD13 H 1 0.886 0.010 . 2 . . . A 60 LEU HD13 . 19436 1 259 . 1 1 44 44 LEU HD21 H 1 0.855 0.002 . 2 . . . A 60 LEU HD21 . 19436 1 260 . 1 1 44 44 LEU HD22 H 1 0.855 0.002 . 2 . . . A 60 LEU HD22 . 19436 1 261 . 1 1 44 44 LEU HD23 H 1 0.855 0.002 . 2 . . . A 60 LEU HD23 . 19436 1 262 . 1 1 44 44 LEU C C 13 176.395 0.039 . 1 . . . A 60 LEU C . 19436 1 263 . 1 1 44 44 LEU CA C 13 54.143 0.000 . 1 . . . A 60 LEU CA . 19436 1 264 . 1 1 44 44 LEU CB C 13 43.660 0.052 . 1 . . . A 60 LEU CB . 19436 1 265 . 1 1 44 44 LEU CG C 13 26.970 0.000 . 1 . . . A 60 LEU CG . 19436 1 266 . 1 1 44 44 LEU CD1 C 13 24.785 0.000 . 2 . . . A 60 LEU CD1 . 19436 1 267 . 1 1 44 44 LEU CD2 C 13 23.743 0.030 . 2 . . . A 60 LEU CD2 . 19436 1 268 . 1 1 44 44 LEU N N 15 120.517 0.017 . 1 . . . A 60 LEU N . 19436 1 269 . 1 1 45 45 ALA H H 1 8.570 0.003 . 1 . . . A 61 ALA H . 19436 1 270 . 1 1 45 45 ALA HA H 1 4.487 0.002 . 1 . . . A 61 ALA HA . 19436 1 271 . 1 1 45 45 ALA HB1 H 1 1.270 0.002 . 1 . . . A 61 ALA HB1 . 19436 1 272 . 1 1 45 45 ALA HB2 H 1 1.270 0.002 . 1 . . . A 61 ALA HB2 . 19436 1 273 . 1 1 45 45 ALA HB3 H 1 1.270 0.002 . 1 . . . A 61 ALA HB3 . 19436 1 274 . 1 1 45 45 ALA C C 13 176.100 0.000 . 1 . . . A 61 ALA C . 19436 1 275 . 1 1 45 45 ALA CA C 13 51.192 0.000 . 1 . . . A 61 ALA CA . 19436 1 276 . 1 1 45 45 ALA CB C 13 20.176 0.040 . 1 . . . A 61 ALA CB . 19436 1 277 . 1 1 45 45 ALA N N 15 126.204 0.008 . 1 . . . A 61 ALA N . 19436 1 278 . 1 1 46 46 ALA H H 1 8.665 0.006 . 1 . . . A 62 ALA H . 19436 1 279 . 1 1 46 46 ALA HA H 1 4.303 0.005 . 1 . . . A 62 ALA HA . 19436 1 280 . 1 1 46 46 ALA HB1 H 1 1.292 0.003 . 1 . . . A 62 ALA HB1 . 19436 1 281 . 1 1 46 46 ALA HB2 H 1 1.292 0.003 . 1 . . . A 62 ALA HB2 . 19436 1 282 . 1 1 46 46 ALA HB3 H 1 1.292 0.003 . 1 . . . A 62 ALA HB3 . 19436 1 283 . 1 1 46 46 ALA C C 13 176.096 0.002 . 1 . . . A 62 ALA C . 19436 1 284 . 1 1 46 46 ALA CA C 13 51.956 0.000 . 1 . . . A 62 ALA CA . 19436 1 285 . 1 1 46 46 ALA CB C 13 18.945 0.011 . 1 . . . A 62 ALA CB . 19436 1 286 . 1 1 46 46 ALA N N 15 128.202 0.004 . 1 . . . A 62 ALA N . 19436 1 287 . 1 1 47 47 LEU H H 1 8.034 0.003 . 1 . . . A 63 LEU H . 19436 1 288 . 1 1 47 47 LEU HA H 1 4.897 0.006 . 1 . . . A 63 LEU HA . 19436 1 289 . 1 1 47 47 LEU HB2 H 1 1.511 0.006 . 2 . . . A 63 LEU HB2 . 19436 1 290 . 1 1 47 47 LEU HB3 H 1 0.939 0.002 . 2 . . . A 63 LEU HB3 . 19436 1 291 . 1 1 47 47 LEU HG H 1 1.550 0.006 . 1 . . . A 63 LEU HG . 19436 1 292 . 1 1 47 47 LEU HD11 H 1 0.833 0.005 . 2 . . . A 63 LEU HD11 . 19436 1 293 . 1 1 47 47 LEU HD12 H 1 0.833 0.005 . 2 . . . A 63 LEU HD12 . 19436 1 294 . 1 1 47 47 LEU HD13 H 1 0.833 0.005 . 2 . . . A 63 LEU HD13 . 19436 1 295 . 1 1 47 47 LEU HD21 H 1 0.542 0.003 . 2 . . . A 63 LEU HD21 . 19436 1 296 . 1 1 47 47 LEU HD22 H 1 0.542 0.003 . 2 . . . A 63 LEU HD22 . 19436 1 297 . 1 1 47 47 LEU HD23 H 1 0.542 0.003 . 2 . . . A 63 LEU HD23 . 19436 1 298 . 1 1 47 47 LEU C C 13 178.865 0.002 . 1 . . . A 63 LEU C . 19436 1 299 . 1 1 47 47 LEU CA C 13 52.051 0.000 . 1 . . . A 63 LEU CA . 19436 1 300 . 1 1 47 47 LEU CB C 13 44.147 0.046 . 1 . . . A 63 LEU CB . 19436 1 301 . 1 1 47 47 LEU CG C 13 26.783 0.000 . 1 . . . A 63 LEU CG . 19436 1 302 . 1 1 47 47 LEU CD1 C 13 25.147 0.056 . 2 . . . A 63 LEU CD1 . 19436 1 303 . 1 1 47 47 LEU CD2 C 13 22.234 0.067 . 2 . . . A 63 LEU CD2 . 19436 1 304 . 1 1 47 47 LEU N N 15 120.119 0.011 . 1 . . . A 63 LEU N . 19436 1 305 . 1 1 48 48 HIS H H 1 8.573 0.003 . 1 . . . A 64 HIS H . 19436 1 306 . 1 1 48 48 HIS HA H 1 4.186 0.005 . 1 . . . A 64 HIS HA . 19436 1 307 . 1 1 48 48 HIS HB2 H 1 3.212 0.006 . 2 . . . A 64 HIS HB2 . 19436 1 308 . 1 1 48 48 HIS HB3 H 1 2.690 0.005 . 2 . . . A 64 HIS HB3 . 19436 1 309 . 1 1 48 48 HIS HD2 H 1 6.627 0.007 . 1 . . . A 64 HIS HD2 . 19436 1 310 . 1 1 48 48 HIS HE1 H 1 7.862 0.013 . 1 . . . A 64 HIS HE1 . 19436 1 311 . 1 1 48 48 HIS C C 13 177.524 0.000 . 1 . . . A 64 HIS C . 19436 1 312 . 1 1 48 48 HIS CB C 13 31.231 0.088 . 1 . . . A 64 HIS CB . 19436 1 313 . 1 1 48 48 HIS N N 15 122.302 0.009 . 1 . . . A 64 HIS N . 19436 1 314 . 1 1 49 49 ALA HA H 1 4.411 0.001 . 1 . . . A 65 ALA HA . 19436 1 315 . 1 1 49 49 ALA HB1 H 1 1.523 0.002 . 1 . . . A 65 ALA HB1 . 19436 1 316 . 1 1 49 49 ALA HB2 H 1 1.523 0.002 . 1 . . . A 65 ALA HB2 . 19436 1 317 . 1 1 49 49 ALA HB3 H 1 1.523 0.002 . 1 . . . A 65 ALA HB3 . 19436 1 318 . 1 1 49 49 ALA CA C 13 53.433 0.026 . 1 . . . A 65 ALA CA . 19436 1 319 . 1 1 49 49 ALA CB C 13 20.342 0.066 . 1 . . . A 65 ALA CB . 19436 1 320 . 1 1 50 50 GLU H H 1 7.857 0.004 . 1 . . . A 66 GLU H . 19436 1 321 . 1 1 50 50 GLU HA H 1 4.684 0.001 . 1 . . . A 66 GLU HA . 19436 1 322 . 1 1 50 50 GLU HB2 H 1 1.990 0.009 . 2 . . . A 66 GLU HB2 . 19436 1 323 . 1 1 50 50 GLU HB3 H 1 1.990 0.009 . 2 . . . A 66 GLU HB3 . 19436 1 324 . 1 1 50 50 GLU HG2 H 1 2.151 0.007 . 2 . . . A 66 GLU HG2 . 19436 1 325 . 1 1 50 50 GLU HG3 H 1 2.151 0.007 . 2 . . . A 66 GLU HG3 . 19436 1 326 . 1 1 50 50 GLU CA C 13 54.841 0.000 . 1 . . . A 66 GLU CA . 19436 1 327 . 1 1 50 50 GLU CB C 13 33.102 0.000 . 1 . . . A 66 GLU CB . 19436 1 328 . 1 1 50 50 GLU CG C 13 35.263 0.000 . 1 . . . A 66 GLU CG . 19436 1 329 . 1 1 50 50 GLU N N 15 113.936 0.014 . 1 . . . A 66 GLU N . 19436 1 330 . 1 1 51 51 GLY H H 1 8.661 0.004 . 1 . . . A 67 GLY H . 19436 1 331 . 1 1 51 51 GLY HA2 H 1 4.787 0.001 . 2 . . . A 67 GLY HA2 . 19436 1 332 . 1 1 51 51 GLY N N 15 108.193 0.009 . 1 . . . A 67 GLY N . 19436 1 333 . 1 1 52 52 PRO HA H 1 4.278 0.006 . 1 . . . A 68 PRO HA . 19436 1 334 . 1 1 52 52 PRO HB2 H 1 2.333 0.002 . 2 . . . A 68 PRO HB2 . 19436 1 335 . 1 1 52 52 PRO HB3 H 1 1.805 0.003 . 2 . . . A 68 PRO HB3 . 19436 1 336 . 1 1 52 52 PRO HG2 H 1 1.997 0.000 . 2 . . . A 68 PRO HG2 . 19436 1 337 . 1 1 52 52 PRO HG3 H 1 1.904 0.000 . 2 . . . A 68 PRO HG3 . 19436 1 338 . 1 1 52 52 PRO HD2 H 1 3.744 0.004 . 2 . . . A 68 PRO HD2 . 19436 1 339 . 1 1 52 52 PRO HD3 H 1 3.552 0.007 . 2 . . . A 68 PRO HD3 . 19436 1 340 . 1 1 52 52 PRO C C 13 177.885 0.000 . 1 . . . A 68 PRO C . 19436 1 341 . 1 1 52 52 PRO CA C 13 64.598 0.000 . 1 . . . A 68 PRO CA . 19436 1 342 . 1 1 52 52 PRO CB C 13 31.945 0.148 . 1 . . . A 68 PRO CB . 19436 1 343 . 1 1 52 52 PRO CG C 13 27.199 0.000 . 1 . . . A 68 PRO CG . 19436 1 344 . 1 1 52 52 PRO CD C 13 49.560 0.000 . 1 . . . A 68 PRO CD . 19436 1 345 . 1 1 53 53 LEU H H 1 8.557 0.003 . 1 . . . A 69 LEU H . 19436 1 346 . 1 1 53 53 LEU HA H 1 4.256 0.004 . 1 . . . A 69 LEU HA . 19436 1 347 . 1 1 53 53 LEU HB2 H 1 1.009 0.006 . 2 . . . A 69 LEU HB2 . 19436 1 348 . 1 1 53 53 LEU HB3 H 1 0.860 0.008 . 2 . . . A 69 LEU HB3 . 19436 1 349 . 1 1 53 53 LEU HG H 1 1.160 0.006 . 1 . . . A 69 LEU HG . 19436 1 350 . 1 1 53 53 LEU HD11 H 1 0.532 0.004 . 2 . . . A 69 LEU HD11 . 19436 1 351 . 1 1 53 53 LEU HD12 H 1 0.532 0.004 . 2 . . . A 69 LEU HD12 . 19436 1 352 . 1 1 53 53 LEU HD13 H 1 0.532 0.004 . 2 . . . A 69 LEU HD13 . 19436 1 353 . 1 1 53 53 LEU HD21 H 1 0.447 0.004 . 2 . . . A 69 LEU HD21 . 19436 1 354 . 1 1 53 53 LEU HD22 H 1 0.447 0.004 . 2 . . . A 69 LEU HD22 . 19436 1 355 . 1 1 53 53 LEU HD23 H 1 0.447 0.004 . 2 . . . A 69 LEU HD23 . 19436 1 356 . 1 1 53 53 LEU C C 13 174.928 0.001 . 1 . . . A 69 LEU C . 19436 1 357 . 1 1 53 53 LEU CA C 13 52.682 0.000 . 1 . . . A 69 LEU CA . 19436 1 358 . 1 1 53 53 LEU CB C 13 40.999 0.065 . 1 . . . A 69 LEU CB . 19436 1 359 . 1 1 53 53 LEU CG C 13 26.421 0.133 . 1 . . . A 69 LEU CG . 19436 1 360 . 1 1 53 53 LEU CD1 C 13 25.403 0.073 . 2 . . . A 69 LEU CD1 . 19436 1 361 . 1 1 53 53 LEU CD2 C 13 21.715 0.042 . 2 . . . A 69 LEU CD2 . 19436 1 362 . 1 1 53 53 LEU N N 15 117.378 0.021 . 1 . . . A 69 LEU N . 19436 1 363 . 1 1 54 54 ALA H H 1 7.202 0.003 . 1 . . . A 70 ALA H . 19436 1 364 . 1 1 54 54 ALA HA H 1 3.476 0.003 . 1 . . . A 70 ALA HA . 19436 1 365 . 1 1 54 54 ALA HB1 H 1 1.193 0.001 . 1 . . . A 70 ALA HB1 . 19436 1 366 . 1 1 54 54 ALA HB2 H 1 1.193 0.001 . 1 . . . A 70 ALA HB2 . 19436 1 367 . 1 1 54 54 ALA HB3 H 1 1.193 0.001 . 1 . . . A 70 ALA HB3 . 19436 1 368 . 1 1 54 54 ALA C C 13 178.760 0.005 . 1 . . . A 70 ALA C . 19436 1 369 . 1 1 54 54 ALA CA C 13 53.756 0.028 . 1 . . . A 70 ALA CA . 19436 1 370 . 1 1 54 54 ALA CB C 13 17.949 0.043 . 1 . . . A 70 ALA CB . 19436 1 371 . 1 1 54 54 ALA N N 15 120.501 0.016 . 1 . . . A 70 ALA N . 19436 1 372 . 1 1 55 55 GLY H H 1 8.942 0.004 . 1 . . . A 71 GLY H . 19436 1 373 . 1 1 55 55 GLY HA2 H 1 4.247 0.003 . 2 . . . A 71 GLY HA2 . 19436 1 374 . 1 1 55 55 GLY HA3 H 1 3.666 0.003 . 2 . . . A 71 GLY HA3 . 19436 1 375 . 1 1 55 55 GLY C C 13 173.272 0.005 . 1 . . . A 71 GLY C . 19436 1 376 . 1 1 55 55 GLY CA C 13 45.183 0.118 . 1 . . . A 71 GLY CA . 19436 1 377 . 1 1 55 55 GLY N N 15 108.963 0.025 . 1 . . . A 71 GLY N . 19436 1 378 . 1 1 56 56 LEU H H 1 8.216 0.003 . 1 . . . A 72 LEU H . 19436 1 379 . 1 1 56 56 LEU HA H 1 4.830 0.002 . 1 . . . A 72 LEU HA . 19436 1 380 . 1 1 56 56 LEU HB2 H 1 1.988 0.008 . 2 . . . A 72 LEU HB2 . 19436 1 381 . 1 1 56 56 LEU HB3 H 1 1.094 0.020 . 2 . . . A 72 LEU HB3 . 19436 1 382 . 1 1 56 56 LEU HG H 1 1.444 0.003 . 1 . . . A 72 LEU HG . 19436 1 383 . 1 1 56 56 LEU HD11 H 1 0.652 0.008 . 2 . . . A 72 LEU HD11 . 19436 1 384 . 1 1 56 56 LEU HD12 H 1 0.652 0.008 . 2 . . . A 72 LEU HD12 . 19436 1 385 . 1 1 56 56 LEU HD13 H 1 0.652 0.008 . 2 . . . A 72 LEU HD13 . 19436 1 386 . 1 1 56 56 LEU C C 13 174.422 0.000 . 1 . . . A 72 LEU C . 19436 1 387 . 1 1 56 56 LEU CB C 13 41.282 0.047 . 1 . . . A 72 LEU CB . 19436 1 388 . 1 1 56 56 LEU CG C 13 26.761 0.070 . 1 . . . A 72 LEU CG . 19436 1 389 . 1 1 56 56 LEU CD1 C 13 25.276 0.036 . 2 . . . A 72 LEU CD1 . 19436 1 390 . 1 1 56 56 LEU N N 15 120.080 0.010 . 1 . . . A 72 LEU N . 19436 1 391 . 1 1 57 57 PRO HA H 1 4.803 0.012 . 1 . . . A 73 PRO HA . 19436 1 392 . 1 1 57 57 PRO HB2 H 1 1.873 0.010 . 2 . . . A 73 PRO HB2 . 19436 1 393 . 1 1 57 57 PRO HB3 H 1 1.608 0.008 . 2 . . . A 73 PRO HB3 . 19436 1 394 . 1 1 57 57 PRO HG2 H 1 1.365 0.007 . 2 . . . A 73 PRO HG2 . 19436 1 395 . 1 1 57 57 PRO HG3 H 1 0.708 0.006 . 2 . . . A 73 PRO HG3 . 19436 1 396 . 1 1 57 57 PRO HD2 H 1 3.451 0.003 . 2 . . . A 73 PRO HD2 . 19436 1 397 . 1 1 57 57 PRO HD3 H 1 3.250 0.005 . 2 . . . A 73 PRO HD3 . 19436 1 398 . 1 1 57 57 PRO CA C 13 61.528 0.000 . 1 . . . A 73 PRO CA . 19436 1 399 . 1 1 57 57 PRO CB C 13 31.384 0.085 . 1 . . . A 73 PRO CB . 19436 1 400 . 1 1 57 57 PRO CG C 13 27.081 0.081 . 1 . . . A 73 PRO CG . 19436 1 401 . 1 1 57 57 PRO CD C 13 50.151 0.058 . 1 . . . A 73 PRO CD . 19436 1 402 . 1 1 58 58 VAL H H 1 7.784 0.003 . 1 . . . A 74 VAL H . 19436 1 403 . 1 1 58 58 VAL HA H 1 3.510 0.008 . 1 . . . A 74 VAL HA . 19436 1 404 . 1 1 58 58 VAL HB H 1 1.922 0.003 . 1 . . . A 74 VAL HB . 19436 1 405 . 1 1 58 58 VAL HG11 H 1 0.782 0.004 . 2 . . . A 74 VAL HG11 . 19436 1 406 . 1 1 58 58 VAL HG12 H 1 0.782 0.004 . 2 . . . A 74 VAL HG12 . 19436 1 407 . 1 1 58 58 VAL HG13 H 1 0.782 0.004 . 2 . . . A 74 VAL HG13 . 19436 1 408 . 1 1 58 58 VAL HG21 H 1 0.046 0.002 . 2 . . . A 74 VAL HG21 . 19436 1 409 . 1 1 58 58 VAL HG22 H 1 0.046 0.002 . 2 . . . A 74 VAL HG22 . 19436 1 410 . 1 1 58 58 VAL HG23 H 1 0.046 0.002 . 2 . . . A 74 VAL HG23 . 19436 1 411 . 1 1 58 58 VAL CA C 13 65.888 0.035 . 1 . . . A 74 VAL CA . 19436 1 412 . 1 1 58 58 VAL CB C 13 31.208 0.050 . 1 . . . A 74 VAL CB . 19436 1 413 . 1 1 58 58 VAL CG1 C 13 21.324 0.065 . 2 . . . A 74 VAL CG1 . 19436 1 414 . 1 1 58 58 VAL CG2 C 13 20.970 0.065 . 2 . . . A 74 VAL CG2 . 19436 1 415 . 1 1 58 58 VAL N N 15 121.846 0.005 . 1 . . . A 74 VAL N . 19436 1 416 . 1 1 59 59 THR H H 1 8.911 0.004 . 1 . . . A 75 THR H . 19436 1 417 . 1 1 59 59 THR HA H 1 4.996 0.008 . 1 . . . A 75 THR HA . 19436 1 418 . 1 1 59 59 THR HB H 1 4.685 0.004 . 1 . . . A 75 THR HB . 19436 1 419 . 1 1 59 59 THR HG21 H 1 1.252 0.008 . 1 . . . A 75 THR HG21 . 19436 1 420 . 1 1 59 59 THR HG22 H 1 1.252 0.008 . 1 . . . A 75 THR HG22 . 19436 1 421 . 1 1 59 59 THR HG23 H 1 1.252 0.008 . 1 . . . A 75 THR HG23 . 19436 1 422 . 1 1 59 59 THR CA C 13 59.964 0.000 . 1 . . . A 75 THR CA . 19436 1 423 . 1 1 59 59 THR CB C 13 73.8 0.000 . 1 . . . A 75 THR CB . 19436 1 424 . 1 1 59 59 THR CG2 C 13 21.861 0.020 . 1 . . . A 75 THR CG2 . 19436 1 425 . 1 1 59 59 THR N N 15 109.158 0.010 . 1 . . . A 75 THR N . 19436 1 426 . 1 1 60 60 ARG H H 1 9.305 0.005 . 1 . . . A 76 ARG H . 19436 1 427 . 1 1 60 60 ARG HA H 1 3.936 0.002 . 1 . . . A 76 ARG HA . 19436 1 428 . 1 1 60 60 ARG HB2 H 1 2.020 0.001 . 2 . . . A 76 ARG HB2 . 19436 1 429 . 1 1 60 60 ARG HB3 H 1 2.020 0.001 . 2 . . . A 76 ARG HB3 . 19436 1 430 . 1 1 60 60 ARG HG2 H 1 1.871 0.000 . 2 . . . A 76 ARG HG2 . 19436 1 431 . 1 1 60 60 ARG HG3 H 1 1.603 0.000 . 2 . . . A 76 ARG HG3 . 19436 1 432 . 1 1 60 60 ARG HD2 H 1 3.292 0.000 . 2 . . . A 76 ARG HD2 . 19436 1 433 . 1 1 60 60 ARG HD3 H 1 3.292 0.000 . 2 . . . A 76 ARG HD3 . 19436 1 434 . 1 1 60 60 ARG CA C 13 60.596 0.022 . 1 . . . A 76 ARG CA . 19436 1 435 . 1 1 60 60 ARG CB C 13 29.617 0.000 . 1 . . . A 76 ARG CB . 19436 1 436 . 1 1 60 60 ARG CG C 13 30.201 0.000 . 1 . . . A 76 ARG CG . 19436 1 437 . 1 1 60 60 ARG CD C 13 43.898 0.000 . 1 . . . A 76 ARG CD . 19436 1 438 . 1 1 60 60 ARG N N 15 120.175 0.009 . 1 . . . A 76 ARG N . 19436 1 439 . 1 1 61 61 SER H H 1 8.192 0.003 . 1 . . . A 77 SER H . 19436 1 440 . 1 1 61 61 SER HA H 1 4.118 0.002 . 1 . . . A 77 SER HA . 19436 1 441 . 1 1 61 61 SER HB2 H 1 3.865 0.001 . 2 . . . A 77 SER HB2 . 19436 1 442 . 1 1 61 61 SER HB3 H 1 3.865 0.001 . 2 . . . A 77 SER HB3 . 19436 1 443 . 1 1 61 61 SER CA C 13 62.355 0.000 . 1 . . . A 77 SER CA . 19436 1 444 . 1 1 61 61 SER CB C 13 62.355 0.000 . 1 . . . A 77 SER CB . 19436 1 445 . 1 1 61 61 SER N N 15 114.367 0.018 . 1 . . . A 77 SER N . 19436 1 446 . 1 1 62 62 ASP H H 1 7.354 0.004 . 1 . . . A 78 ASP H . 19436 1 447 . 1 1 62 62 ASP HA H 1 4.396 0.004 . 1 . . . A 78 ASP HA . 19436 1 448 . 1 1 62 62 ASP HB2 H 1 3.011 0.007 . 2 . . . A 78 ASP HB2 . 19436 1 449 . 1 1 62 62 ASP HB3 H 1 2.699 0.002 . 2 . . . A 78 ASP HB3 . 19436 1 450 . 1 1 62 62 ASP C C 13 177.220 0.005 . 1 . . . A 78 ASP C . 19436 1 451 . 1 1 62 62 ASP CA C 13 58.113 0.000 . 1 . . . A 78 ASP CA . 19436 1 452 . 1 1 62 62 ASP CB C 13 43.287 0.079 . 1 . . . A 78 ASP CB . 19436 1 453 . 1 1 62 62 ASP N N 15 120.511 0.007 . 1 . . . A 78 ASP N . 19436 1 454 . 1 1 63 63 ALA H H 1 7.838 0.003 . 1 . . . A 79 ALA H . 19436 1 455 . 1 1 63 63 ALA HA H 1 3.736 0.004 . 1 . . . A 79 ALA HA . 19436 1 456 . 1 1 63 63 ALA HB1 H 1 1.412 0.006 . 1 . . . A 79 ALA HB1 . 19436 1 457 . 1 1 63 63 ALA HB2 H 1 1.412 0.006 . 1 . . . A 79 ALA HB2 . 19436 1 458 . 1 1 63 63 ALA HB3 H 1 1.412 0.006 . 1 . . . A 79 ALA HB3 . 19436 1 459 . 1 1 63 63 ALA C C 13 178.603 0.006 . 1 . . . A 79 ALA C . 19436 1 460 . 1 1 63 63 ALA CA C 13 54.879 0.035 . 1 . . . A 79 ALA CA . 19436 1 461 . 1 1 63 63 ALA CB C 13 19.739 0.026 . 1 . . . A 79 ALA CB . 19436 1 462 . 1 1 63 63 ALA N N 15 120.606 0.006 . 1 . . . A 79 ALA N . 19436 1 463 . 1 1 64 64 ARG H H 1 8.060 0.004 . 1 . . . A 80 ARG H . 19436 1 464 . 1 1 64 64 ARG HA H 1 3.796 0.004 . 1 . . . A 80 ARG HA . 19436 1 465 . 1 1 64 64 ARG HB2 H 1 2.047 0.009 . 2 . . . A 80 ARG HB2 . 19436 1 466 . 1 1 64 64 ARG HB3 H 1 2.047 0.009 . 2 . . . A 80 ARG HB3 . 19436 1 467 . 1 1 64 64 ARG HG2 H 1 1.553 0.004 . 2 . . . A 80 ARG HG2 . 19436 1 468 . 1 1 64 64 ARG HG3 H 1 1.553 0.004 . 2 . . . A 80 ARG HG3 . 19436 1 469 . 1 1 64 64 ARG HD2 H 1 3.258 0.000 . 2 . . . A 80 ARG HD2 . 19436 1 470 . 1 1 64 64 ARG HD3 H 1 3.258 0.000 . 2 . . . A 80 ARG HD3 . 19436 1 471 . 1 1 64 64 ARG C C 13 177.903 0.000 . 1 . . . A 80 ARG C . 19436 1 472 . 1 1 64 64 ARG CA C 13 61.517 0.042 . 1 . . . A 80 ARG CA . 19436 1 473 . 1 1 64 64 ARG CB C 13 30.351 0.048 . 1 . . . A 80 ARG CB . 19436 1 474 . 1 1 64 64 ARG CG C 13 31.041 0.000 . 1 . . . A 80 ARG CG . 19436 1 475 . 1 1 64 64 ARG CD C 13 43.448 0.000 . 1 . . . A 80 ARG CD . 19436 1 476 . 1 1 64 64 ARG N N 15 116.233 0.010 . 1 . . . A 80 ARG N . 19436 1 477 . 1 1 65 65 VAL H H 1 7.413 0.003 . 1 . . . A 81 VAL H . 19436 1 478 . 1 1 65 65 VAL HA H 1 3.636 0.004 . 1 . . . A 81 VAL HA . 19436 1 479 . 1 1 65 65 VAL HB H 1 2.275 0.006 . 1 . . . A 81 VAL HB . 19436 1 480 . 1 1 65 65 VAL HG11 H 1 1.019 0.006 . 2 . . . A 81 VAL HG11 . 19436 1 481 . 1 1 65 65 VAL HG12 H 1 1.019 0.006 . 2 . . . A 81 VAL HG12 . 19436 1 482 . 1 1 65 65 VAL HG13 H 1 1.019 0.006 . 2 . . . A 81 VAL HG13 . 19436 1 483 . 1 1 65 65 VAL HG21 H 1 0.901 0.006 . 2 . . . A 81 VAL HG21 . 19436 1 484 . 1 1 65 65 VAL HG22 H 1 0.901 0.006 . 2 . . . A 81 VAL HG22 . 19436 1 485 . 1 1 65 65 VAL HG23 H 1 0.901 0.006 . 2 . . . A 81 VAL HG23 . 19436 1 486 . 1 1 65 65 VAL C C 13 177.817 0.020 . 1 . . . A 81 VAL C . 19436 1 487 . 1 1 65 65 VAL CA C 13 67.018 0.042 . 1 . . . A 81 VAL CA . 19436 1 488 . 1 1 65 65 VAL CB C 13 31.821 0.030 . 1 . . . A 81 VAL CB . 19436 1 489 . 1 1 65 65 VAL CG1 C 13 22.666 0.034 . 2 . . . A 81 VAL CG1 . 19436 1 490 . 1 1 65 65 VAL CG2 C 13 21.793 0.057 . 2 . . . A 81 VAL CG2 . 19436 1 491 . 1 1 65 65 VAL N N 15 119.026 0.010 . 1 . . . A 81 VAL N . 19436 1 492 . 1 1 66 66 LEU H H 1 7.666 0.003 . 1 . . . A 82 LEU H . 19436 1 493 . 1 1 66 66 LEU HA H 1 4.113 0.004 . 1 . . . A 82 LEU HA . 19436 1 494 . 1 1 66 66 LEU HB2 H 1 2.136 0.004 . 2 . . . A 82 LEU HB2 . 19436 1 495 . 1 1 66 66 LEU HB3 H 1 1.625 0.004 . 2 . . . A 82 LEU HB3 . 19436 1 496 . 1 1 66 66 LEU HG H 1 1.815 0.009 . 1 . . . A 82 LEU HG . 19436 1 497 . 1 1 66 66 LEU HD11 H 1 0.910 0.001 . 2 . . . A 82 LEU HD11 . 19436 1 498 . 1 1 66 66 LEU HD12 H 1 0.910 0.001 . 2 . . . A 82 LEU HD12 . 19436 1 499 . 1 1 66 66 LEU HD13 H 1 0.910 0.001 . 2 . . . A 82 LEU HD13 . 19436 1 500 . 1 1 66 66 LEU HD21 H 1 0.812 0.004 . 2 . . . A 82 LEU HD21 . 19436 1 501 . 1 1 66 66 LEU HD22 H 1 0.812 0.004 . 2 . . . A 82 LEU HD22 . 19436 1 502 . 1 1 66 66 LEU HD23 H 1 0.812 0.004 . 2 . . . A 82 LEU HD23 . 19436 1 503 . 1 1 66 66 LEU C C 13 180.992 0.001 . 1 . . . A 82 LEU C . 19436 1 504 . 1 1 66 66 LEU CA C 13 58.382 0.000 . 1 . . . A 82 LEU CA . 19436 1 505 . 1 1 66 66 LEU CB C 13 41.668 0.041 . 1 . . . A 82 LEU CB . 19436 1 506 . 1 1 66 66 LEU CG C 13 26.399 0.112 . 1 . . . A 82 LEU CG . 19436 1 507 . 1 1 66 66 LEU CD1 C 13 22.740 0.099 . 2 . . . A 82 LEU CD1 . 19436 1 508 . 1 1 66 66 LEU CD2 C 13 26.223 0.039 . 2 . . . A 82 LEU CD2 . 19436 1 509 . 1 1 66 66 LEU N N 15 118.565 0.005 . 1 . . . A 82 LEU N . 19436 1 510 . 1 1 67 67 ILE H H 1 8.612 0.003 . 1 . . . A 83 ILE H . 19436 1 511 . 1 1 67 67 ILE HA H 1 3.698 0.003 . 1 . . . A 83 ILE HA . 19436 1 512 . 1 1 67 67 ILE HB H 1 1.887 0.002 . 1 . . . A 83 ILE HB . 19436 1 513 . 1 1 67 67 ILE HG12 H 1 2.116 0.004 . 2 . . . A 83 ILE HG12 . 19436 1 514 . 1 1 67 67 ILE HG13 H 1 1.108 0.015 . 2 . . . A 83 ILE HG13 . 19436 1 515 . 1 1 67 67 ILE HG21 H 1 0.960 0.004 . 1 . . . A 83 ILE HG21 . 19436 1 516 . 1 1 67 67 ILE HG22 H 1 0.960 0.004 . 1 . . . A 83 ILE HG22 . 19436 1 517 . 1 1 67 67 ILE HG23 H 1 0.960 0.004 . 1 . . . A 83 ILE HG23 . 19436 1 518 . 1 1 67 67 ILE HD11 H 1 0.876 0.019 . 1 . . . A 83 ILE HD11 . 19436 1 519 . 1 1 67 67 ILE HD12 H 1 0.876 0.019 . 1 . . . A 83 ILE HD12 . 19436 1 520 . 1 1 67 67 ILE HD13 H 1 0.876 0.019 . 1 . . . A 83 ILE HD13 . 19436 1 521 . 1 1 67 67 ILE C C 13 178.708 0.009 . 1 . . . A 83 ILE C . 19436 1 522 . 1 1 67 67 ILE CA C 13 65.868 0.016 . 1 . . . A 83 ILE CA . 19436 1 523 . 1 1 67 67 ILE CB C 13 38.755 0.022 . 1 . . . A 83 ILE CB . 19436 1 524 . 1 1 67 67 ILE CG1 C 13 29.842 0.061 . 1 . . . A 83 ILE CG1 . 19436 1 525 . 1 1 67 67 ILE CG2 C 13 17.366 0.051 . 1 . . . A 83 ILE CG2 . 19436 1 526 . 1 1 67 67 ILE CD1 C 13 14.369 0.024 . 1 . . . A 83 ILE CD1 . 19436 1 527 . 1 1 67 67 ILE N N 15 120.998 0.009 . 1 . . . A 83 ILE N . 19436 1 528 . 1 1 68 68 PHE H H 1 8.748 0.003 . 1 . . . A 84 PHE H . 19436 1 529 . 1 1 68 68 PHE HA H 1 4.174 0.009 . 1 . . . A 84 PHE HA . 19436 1 530 . 1 1 68 68 PHE HB2 H 1 3.435 0.022 . 2 . . . A 84 PHE HB2 . 19436 1 531 . 1 1 68 68 PHE HB3 H 1 3.305 0.007 . 2 . . . A 84 PHE HB3 . 19436 1 532 . 1 1 68 68 PHE HD1 H 1 7.306 0.016 . 3 . . . A 84 PHE HD1 . 19436 1 533 . 1 1 68 68 PHE HD2 H 1 7.306 0.016 . 3 . . . A 84 PHE HD2 . 19436 1 534 . 1 1 68 68 PHE HE1 H 1 7.375 0.000 . 3 . . . A 84 PHE HE1 . 19436 1 535 . 1 1 68 68 PHE HE2 H 1 7.375 0.000 . 3 . . . A 84 PHE HE2 . 19436 1 536 . 1 1 68 68 PHE C C 13 176.998 0.002 . 1 . . . A 84 PHE C . 19436 1 537 . 1 1 68 68 PHE CA C 13 62.566 0.000 . 1 . . . A 84 PHE CA . 19436 1 538 . 1 1 68 68 PHE CB C 13 39.295 0.039 . 1 . . . A 84 PHE CB . 19436 1 539 . 1 1 68 68 PHE N N 15 123.370 0.015 . 1 . . . A 84 PHE N . 19436 1 540 . 1 1 69 69 ASN H H 1 8.990 0.003 . 1 . . . A 85 ASN H . 19436 1 541 . 1 1 69 69 ASN HA H 1 4.478 0.002 . 1 . . . A 85 ASN HA . 19436 1 542 . 1 1 69 69 ASN HB2 H 1 3.025 0.010 . 2 . . . A 85 ASN HB2 . 19436 1 543 . 1 1 69 69 ASN HB3 H 1 2.887 0.005 . 2 . . . A 85 ASN HB3 . 19436 1 544 . 1 1 69 69 ASN C C 13 178.706 0.003 . 1 . . . A 85 ASN C . 19436 1 545 . 1 1 69 69 ASN CA C 13 56.027 0.000 . 1 . . . A 85 ASN CA . 19436 1 546 . 1 1 69 69 ASN CB C 13 37.883 0.051 . 1 . . . A 85 ASN CB . 19436 1 547 . 1 1 69 69 ASN N N 15 117.944 0.017 . 1 . . . A 85 ASN N . 19436 1 548 . 1 1 70 70 GLU H H 1 8.177 0.005 . 1 . . . A 86 GLU H . 19436 1 549 . 1 1 70 70 GLU HA H 1 4.123 0.009 . 1 . . . A 86 GLU HA . 19436 1 550 . 1 1 70 70 GLU HB2 H 1 2.244 0.020 . 2 . . . A 86 GLU HB2 . 19436 1 551 . 1 1 70 70 GLU HB3 H 1 2.155 0.024 . 2 . . . A 86 GLU HB3 . 19436 1 552 . 1 1 70 70 GLU HG2 H 1 2.428 0.005 . 2 . . . A 86 GLU HG2 . 19436 1 553 . 1 1 70 70 GLU HG3 H 1 2.428 0.005 . 2 . . . A 86 GLU HG3 . 19436 1 554 . 1 1 70 70 GLU C C 13 177.753 0.004 . 1 . . . A 86 GLU C . 19436 1 555 . 1 1 70 70 GLU CA C 13 59.415 0.000 . 1 . . . A 86 GLU CA . 19436 1 556 . 1 1 70 70 GLU CB C 13 30.146 0.067 . 1 . . . A 86 GLU CB . 19436 1 557 . 1 1 70 70 GLU CG C 13 36.901 0.000 . 1 . . . A 86 GLU CG . 19436 1 558 . 1 1 70 70 GLU N N 15 121.168 0.023 . 1 . . . A 86 GLU N . 19436 1 559 . 1 1 71 71 TRP H H 1 8.160 0.004 . 1 . . . A 87 TRP H . 19436 1 560 . 1 1 71 71 TRP HA H 1 4.018 0.005 . 1 . . . A 87 TRP HA . 19436 1 561 . 1 1 71 71 TRP HB2 H 1 3.463 0.003 . 2 . . . A 87 TRP HB2 . 19436 1 562 . 1 1 71 71 TRP HB3 H 1 3.230 0.004 . 2 . . . A 87 TRP HB3 . 19436 1 563 . 1 1 71 71 TRP HD1 H 1 6.750 0.007 . 1 . . . A 87 TRP HD1 . 19436 1 564 . 1 1 71 71 TRP HE1 H 1 9.418 0.002 . 1 . . . A 87 TRP HE1 . 19436 1 565 . 1 1 71 71 TRP HE3 H 1 7.017 0.008 . 1 . . . A 87 TRP HE3 . 19436 1 566 . 1 1 71 71 TRP HZ2 H 1 7.429 0.006 . 1 . . . A 87 TRP HZ2 . 19436 1 567 . 1 1 71 71 TRP HZ3 H 1 7.229 0.073 . 1 . . . A 87 TRP HZ3 . 19436 1 568 . 1 1 71 71 TRP HH2 H 1 7.441 0.001 . 1 . . . A 87 TRP HH2 . 19436 1 569 . 1 1 71 71 TRP C C 13 176.647 0.007 . 1 . . . A 87 TRP C . 19436 1 570 . 1 1 71 71 TRP CA C 13 61.743 0.044 . 1 . . . A 87 TRP CA . 19436 1 571 . 1 1 71 71 TRP CB C 13 27.960 0.032 . 1 . . . A 87 TRP CB . 19436 1 572 . 1 1 71 71 TRP N N 15 122.549 0.028 . 1 . . . A 87 TRP N . 19436 1 573 . 1 1 71 71 TRP NE1 N 15 128.409 0.013 . 1 . . . A 87 TRP NE1 . 19436 1 574 . 1 1 72 72 GLU H H 1 8.558 0.003 . 1 . . . A 88 GLU H . 19436 1 575 . 1 1 72 72 GLU HA H 1 2.962 0.002 . 1 . . . A 88 GLU HA . 19436 1 576 . 1 1 72 72 GLU HB2 H 1 1.864 0.003 . 2 . . . A 88 GLU HB2 . 19436 1 577 . 1 1 72 72 GLU HB3 H 1 1.777 0.004 . 2 . . . A 88 GLU HB3 . 19436 1 578 . 1 1 72 72 GLU HG2 H 1 2.022 0.012 . 2 . . . A 88 GLU HG2 . 19436 1 579 . 1 1 72 72 GLU HG3 H 1 1.876 0.009 . 2 . . . A 88 GLU HG3 . 19436 1 580 . 1 1 72 72 GLU C C 13 178.417 0.015 . 1 . . . A 88 GLU C . 19436 1 581 . 1 1 72 72 GLU CA C 13 59.739 0.039 . 1 . . . A 88 GLU CA . 19436 1 582 . 1 1 72 72 GLU CB C 13 29.601 0.061 . 1 . . . A 88 GLU CB . 19436 1 583 . 1 1 72 72 GLU CG C 13 37.351 0.036 . 1 . . . A 88 GLU CG . 19436 1 584 . 1 1 72 72 GLU N N 15 117.397 0.011 . 1 . . . A 88 GLU N . 19436 1 585 . 1 1 73 73 GLU H H 1 7.296 0.003 . 1 . . . A 89 GLU H . 19436 1 586 . 1 1 73 73 GLU HA H 1 4.049 0.002 . 1 . . . A 89 GLU HA . 19436 1 587 . 1 1 73 73 GLU HB2 H 1 2.044 0.006 . 2 . . . A 89 GLU HB2 . 19436 1 588 . 1 1 73 73 GLU HB3 H 1 2.044 0.006 . 2 . . . A 89 GLU HB3 . 19436 1 589 . 1 1 73 73 GLU HG2 H 1 2.238 0.001 . 2 . . . A 89 GLU HG2 . 19436 1 590 . 1 1 73 73 GLU HG3 H 1 2.238 0.001 . 2 . . . A 89 GLU HG3 . 19436 1 591 . 1 1 73 73 GLU C C 13 179.462 0.012 . 1 . . . A 89 GLU C . 19436 1 592 . 1 1 73 73 GLU CA C 13 58.264 0.000 . 1 . . . A 89 GLU CA . 19436 1 593 . 1 1 73 73 GLU CB C 13 29.826 0.040 . 1 . . . A 89 GLU CB . 19436 1 594 . 1 1 73 73 GLU CG C 13 35.531 0.000 . 1 . . . A 89 GLU CG . 19436 1 595 . 1 1 73 73 GLU N N 15 116.047 0.012 . 1 . . . A 89 GLU N . 19436 1 596 . 1 1 74 74 ARG H H 1 8.420 0.003 . 1 . . . A 90 ARG H . 19436 1 597 . 1 1 74 74 ARG HA H 1 3.922 0.002 . 1 . . . A 90 ARG HA . 19436 1 598 . 1 1 74 74 ARG HB2 H 1 1.882 0.011 . 2 . . . A 90 ARG HB2 . 19436 1 599 . 1 1 74 74 ARG HB3 H 1 1.789 0.003 . 2 . . . A 90 ARG HB3 . 19436 1 600 . 1 1 74 74 ARG HG2 H 1 1.556 0.005 . 2 . . . A 90 ARG HG2 . 19436 1 601 . 1 1 74 74 ARG HG3 H 1 1.556 0.005 . 2 . . . A 90 ARG HG3 . 19436 1 602 . 1 1 74 74 ARG HD2 H 1 3.210 0.000 . 2 . . . A 90 ARG HD2 . 19436 1 603 . 1 1 74 74 ARG HD3 H 1 2.963 0.000 . 2 . . . A 90 ARG HD3 . 19436 1 604 . 1 1 74 74 ARG C C 13 178.832 0.010 . 1 . . . A 90 ARG C . 19436 1 605 . 1 1 74 74 ARG CA C 13 58.846 0.043 . 1 . . . A 90 ARG CA . 19436 1 606 . 1 1 74 74 ARG CB C 13 31.388 0.023 . 1 . . . A 90 ARG CB . 19436 1 607 . 1 1 74 74 ARG CG C 13 27.609 0.000 . 1 . . . A 90 ARG CG . 19436 1 608 . 1 1 74 74 ARG CD C 13 43.741 0.000 . 1 . . . A 90 ARG CD . 19436 1 609 . 1 1 74 74 ARG N N 15 120.321 0.007 . 1 . . . A 90 ARG N . 19436 1 610 . 1 1 75 75 LYS H H 1 8.436 0.003 . 1 . . . A 91 LYS H . 19436 1 611 . 1 1 75 75 LYS HA H 1 3.681 0.002 . 1 . . . A 91 LYS HA . 19436 1 612 . 1 1 75 75 LYS HB2 H 1 1.226 0.003 . 2 . . . A 91 LYS HB2 . 19436 1 613 . 1 1 75 75 LYS HB3 H 1 0.746 0.006 . 2 . . . A 91 LYS HB3 . 19436 1 614 . 1 1 75 75 LYS HE2 H 1 2.482 0.000 . 2 . . . A 91 LYS HE2 . 19436 1 615 . 1 1 75 75 LYS HE3 H 1 2.299 0.000 . 2 . . . A 91 LYS HE3 . 19436 1 616 . 1 1 75 75 LYS C C 13 176.846 0.001 . 1 . . . A 91 LYS C . 19436 1 617 . 1 1 75 75 LYS CA C 13 57.540 0.049 . 1 . . . A 91 LYS CA . 19436 1 618 . 1 1 75 75 LYS CB C 13 30.572 0.039 . 1 . . . A 91 LYS CB . 19436 1 619 . 1 1 75 75 LYS CG C 13 23.314 0.000 . 1 . . . A 91 LYS CG . 19436 1 620 . 1 1 75 75 LYS CD C 13 28.974 0.000 . 1 . . . A 91 LYS CD . 19436 1 621 . 1 1 75 75 LYS CE C 13 41.860 0.000 . 1 . . . A 91 LYS CE . 19436 1 622 . 1 1 75 75 LYS N N 15 118.447 0.018 . 1 . . . A 91 LYS N . 19436 1 623 . 1 1 76 76 LYS H H 1 6.904 0.003 . 1 . . . A 92 LYS H . 19436 1 624 . 1 1 76 76 LYS HA H 1 3.817 0.000 . 1 . . . A 92 LYS HA . 19436 1 625 . 1 1 76 76 LYS HB2 H 1 1.740 0.005 . 2 . . . A 92 LYS HB2 . 19436 1 626 . 1 1 76 76 LYS HB3 H 1 1.740 0.005 . 2 . . . A 92 LYS HB3 . 19436 1 627 . 1 1 76 76 LYS HG2 H 1 1.285 0.002 . 2 . . . A 92 LYS HG2 . 19436 1 628 . 1 1 76 76 LYS HG3 H 1 1.285 0.002 . 2 . . . A 92 LYS HG3 . 19436 1 629 . 1 1 76 76 LYS HD2 H 1 1.494 0.000 . 2 . . . A 92 LYS HD2 . 19436 1 630 . 1 1 76 76 LYS HD3 H 1 1.494 0.000 . 2 . . . A 92 LYS HD3 . 19436 1 631 . 1 1 76 76 LYS HE2 H 1 2.908 0.000 . 2 . . . A 92 LYS HE2 . 19436 1 632 . 1 1 76 76 LYS HE3 H 1 2.908 0.000 . 2 . . . A 92 LYS HE3 . 19436 1 633 . 1 1 76 76 LYS C C 13 177.762 0.001 . 1 . . . A 92 LYS C . 19436 1 634 . 1 1 76 76 LYS CA C 13 59.207 0.000 . 1 . . . A 92 LYS CA . 19436 1 635 . 1 1 76 76 LYS CB C 13 32.269 0.000 . 1 . . . A 92 LYS CB . 19436 1 636 . 1 1 76 76 LYS CG C 13 25.422 0.000 . 1 . . . A 92 LYS CG . 19436 1 637 . 1 1 76 76 LYS CD C 13 29.397 0.000 . 1 . . . A 92 LYS CD . 19436 1 638 . 1 1 76 76 LYS CE C 13 42.260 0.000 . 1 . . . A 92 LYS CE . 19436 1 639 . 1 1 76 76 LYS N N 15 117.663 0.010 . 1 . . . A 92 LYS N . 19436 1 640 . 1 1 77 77 SER H H 1 7.381 0.004 . 1 . . . A 93 SER H . 19436 1 641 . 1 1 77 77 SER HA H 1 4.527 0.002 . 1 . . . A 93 SER HA . 19436 1 642 . 1 1 77 77 SER HB2 H 1 3.901 0.003 . 2 . . . A 93 SER HB2 . 19436 1 643 . 1 1 77 77 SER HB3 H 1 3.777 0.000 . 2 . . . A 93 SER HB3 . 19436 1 644 . 1 1 77 77 SER C C 13 174.006 0.003 . 1 . . . A 93 SER C . 19436 1 645 . 1 1 77 77 SER CA C 13 58.671 0.000 . 1 . . . A 93 SER CA . 19436 1 646 . 1 1 77 77 SER CB C 13 64.444 0.000 . 1 . . . A 93 SER CB . 19436 1 647 . 1 1 77 77 SER N N 15 110.383 0.012 . 1 . . . A 93 SER N . 19436 1 648 . 1 1 78 78 GLU H H 1 7.625 0.004 . 1 . . . A 94 GLU H . 19436 1 649 . 1 1 78 78 GLU HA H 1 3.681 0.003 . 1 . . . A 94 GLU HA . 19436 1 650 . 1 1 78 78 GLU HB2 H 1 1.491 0.003 . 2 . . . A 94 GLU HB2 . 19436 1 651 . 1 1 78 78 GLU HB3 H 1 0.941 0.003 . 2 . . . A 94 GLU HB3 . 19436 1 652 . 1 1 78 78 GLU HG2 H 1 2.002 0.006 . 2 . . . A 94 GLU HG2 . 19436 1 653 . 1 1 78 78 GLU HG3 H 1 1.915 0.007 . 2 . . . A 94 GLU HG3 . 19436 1 654 . 1 1 78 78 GLU C C 13 172.751 0.000 . 1 . . . A 94 GLU C . 19436 1 655 . 1 1 78 78 GLU CA C 13 52.861 0.040 . 1 . . . A 94 GLU CA . 19436 1 656 . 1 1 78 78 GLU CB C 13 30.206 0.061 . 1 . . . A 94 GLU CB . 19436 1 657 . 1 1 78 78 GLU CG C 13 35.945 0.028 . 1 . . . A 94 GLU CG . 19436 1 658 . 1 1 78 78 GLU N N 15 121.734 0.019 . 1 . . . A 94 GLU N . 19436 1 659 . 1 1 79 79 PRO HA H 1 4.267 0.003 . 1 . . . A 95 PRO HA . 19436 1 660 . 1 1 79 79 PRO HB2 H 1 2.196 0.006 . 2 . . . A 95 PRO HB2 . 19436 1 661 . 1 1 79 79 PRO HB3 H 1 2.196 0.006 . 2 . . . A 95 PRO HB3 . 19436 1 662 . 1 1 79 79 PRO HG2 H 1 1.856 0.014 . 2 . . . A 95 PRO HG2 . 19436 1 663 . 1 1 79 79 PRO HG3 H 1 1.856 0.014 . 2 . . . A 95 PRO HG3 . 19436 1 664 . 1 1 79 79 PRO HD2 H 1 3.248 0.004 . 2 . . . A 95 PRO HD2 . 19436 1 665 . 1 1 79 79 PRO HD3 H 1 2.929 0.003 . 2 . . . A 95 PRO HD3 . 19436 1 666 . 1 1 79 79 PRO C C 13 176.541 0.000 . 1 . . . A 95 PRO C . 19436 1 667 . 1 1 79 79 PRO CA C 13 64.621 0.000 . 1 . . . A 95 PRO CA . 19436 1 668 . 1 1 79 79 PRO CB C 13 31.452 0.019 . 1 . . . A 95 PRO CB . 19436 1 669 . 1 1 79 79 PRO CG C 13 27.023 0.000 . 1 . . . A 95 PRO CG . 19436 1 670 . 1 1 79 79 PRO CD C 13 50.281 0.040 . 1 . . . A 95 PRO CD . 19436 1 671 . 1 1 80 80 TRP H H 1 6.837 0.003 . 1 . . . A 96 TRP H . 19436 1 672 . 1 1 80 80 TRP HA H 1 4.645 0.005 . 1 . . . A 96 TRP HA . 19436 1 673 . 1 1 80 80 TRP HB2 H 1 3.378 0.005 . 2 . . . A 96 TRP HB2 . 19436 1 674 . 1 1 80 80 TRP HB3 H 1 3.378 0.005 . 2 . . . A 96 TRP HB3 . 19436 1 675 . 1 1 80 80 TRP HD1 H 1 7.165 0.002 . 1 . . . A 96 TRP HD1 . 19436 1 676 . 1 1 80 80 TRP HE1 H 1 10.716 0.001 . 1 . . . A 96 TRP HE1 . 19436 1 677 . 1 1 80 80 TRP HE3 H 1 7.703 0.002 . 1 . . . A 96 TRP HE3 . 19436 1 678 . 1 1 80 80 TRP HZ2 H 1 7.618 0.004 . 1 . . . A 96 TRP HZ2 . 19436 1 679 . 1 1 80 80 TRP HZ3 H 1 7.307 0.006 . 1 . . . A 96 TRP HZ3 . 19436 1 680 . 1 1 80 80 TRP HH2 H 1 7.393 0.008 . 1 . . . A 96 TRP HH2 . 19436 1 681 . 1 1 80 80 TRP C C 13 176.530 0.000 . 1 . . . A 96 TRP C . 19436 1 682 . 1 1 80 80 TRP CA C 13 56.604 0.000 . 1 . . . A 96 TRP CA . 19436 1 683 . 1 1 80 80 TRP CB C 13 28.026 0.006 . 1 . . . A 96 TRP CB . 19436 1 684 . 1 1 80 80 TRP N N 15 115.298 0.010 . 1 . . . A 96 TRP N . 19436 1 685 . 1 1 80 80 TRP NE1 N 15 132.336 0.006 . 1 . . . A 96 TRP NE1 . 19436 1 686 . 1 1 81 81 LEU H H 1 7.252 0.003 . 1 . . . A 97 LEU H . 19436 1 687 . 1 1 81 81 LEU HA H 1 4.149 0.005 . 1 . . . A 97 LEU HA . 19436 1 688 . 1 1 81 81 LEU HB2 H 1 1.608 0.012 . 2 . . . A 97 LEU HB2 . 19436 1 689 . 1 1 81 81 LEU HB3 H 1 1.392 0.003 . 2 . . . A 97 LEU HB3 . 19436 1 690 . 1 1 81 81 LEU HG H 1 1.570 0.009 . 1 . . . A 97 LEU HG . 19436 1 691 . 1 1 81 81 LEU HD11 H 1 0.867 0.006 . 2 . . . A 97 LEU HD11 . 19436 1 692 . 1 1 81 81 LEU HD12 H 1 0.867 0.006 . 2 . . . A 97 LEU HD12 . 19436 1 693 . 1 1 81 81 LEU HD13 H 1 0.867 0.006 . 2 . . . A 97 LEU HD13 . 19436 1 694 . 1 1 81 81 LEU HD21 H 1 0.920 0.009 . 2 . . . A 97 LEU HD21 . 19436 1 695 . 1 1 81 81 LEU HD22 H 1 0.920 0.009 . 2 . . . A 97 LEU HD22 . 19436 1 696 . 1 1 81 81 LEU HD23 H 1 0.920 0.009 . 2 . . . A 97 LEU HD23 . 19436 1 697 . 1 1 81 81 LEU C C 13 177.528 0.011 . 1 . . . A 97 LEU C . 19436 1 698 . 1 1 81 81 LEU CA C 13 56.277 0.000 . 1 . . . A 97 LEU CA . 19436 1 699 . 1 1 81 81 LEU CB C 13 43.152 0.092 . 1 . . . A 97 LEU CB . 19436 1 700 . 1 1 81 81 LEU CG C 13 26.329 0.107 . 1 . . . A 97 LEU CG . 19436 1 701 . 1 1 81 81 LEU CD1 C 13 25.433 0.055 . 2 . . . A 97 LEU CD1 . 19436 1 702 . 1 1 81 81 LEU CD2 C 13 24.466 0.053 . 2 . . . A 97 LEU CD2 . 19436 1 703 . 1 1 81 81 LEU N N 15 125.040 0.010 . 1 . . . A 97 LEU N . 19436 1 704 . 1 1 82 82 ARG H H 1 8.892 0.003 . 1 . . . A 98 ARG H . 19436 1 705 . 1 1 82 82 ARG HA H 1 4.578 0.001 . 1 . . . A 98 ARG HA . 19436 1 706 . 1 1 82 82 ARG HB2 H 1 1.781 0.001 . 2 . . . A 98 ARG HB2 . 19436 1 707 . 1 1 82 82 ARG HB3 H 1 1.781 0.001 . 2 . . . A 98 ARG HB3 . 19436 1 708 . 1 1 82 82 ARG HG2 H 1 1.637 0.003 . 2 . . . A 98 ARG HG2 . 19436 1 709 . 1 1 82 82 ARG HG3 H 1 1.637 0.003 . 2 . . . A 98 ARG HG3 . 19436 1 710 . 1 1 82 82 ARG HD2 H 1 3.245 0.000 . 2 . . . A 98 ARG HD2 . 19436 1 711 . 1 1 82 82 ARG HD3 H 1 3.245 0.000 . 2 . . . A 98 ARG HD3 . 19436 1 712 . 1 1 82 82 ARG C C 13 175.757 0.004 . 1 . . . A 98 ARG C . 19436 1 713 . 1 1 82 82 ARG CA C 13 55.105 0.000 . 1 . . . A 98 ARG CA . 19436 1 714 . 1 1 82 82 ARG CB C 13 31.397 0.052 . 1 . . . A 98 ARG CB . 19436 1 715 . 1 1 82 82 ARG CG C 13 27.382 0.000 . 1 . . . A 98 ARG CG . 19436 1 716 . 1 1 82 82 ARG CD C 13 43.263 0.000 . 1 . . . A 98 ARG CD . 19436 1 717 . 1 1 82 82 ARG N N 15 128.225 0.011 . 1 . . . A 98 ARG N . 19436 1 718 . 1 1 83 83 LEU H H 1 8.328 0.003 . 1 . . . A 99 LEU H . 19436 1 719 . 1 1 83 83 LEU HA H 1 3.560 0.010 . 1 . . . A 99 LEU HA . 19436 1 720 . 1 1 83 83 LEU HB2 H 1 -0.982 0.009 . 2 . . . A 99 LEU HB2 . 19436 1 721 . 1 1 83 83 LEU HB3 H 1 0.934 0.002 . 2 . . . A 99 LEU HB3 . 19436 1 722 . 1 1 83 83 LEU HG H 1 0.403 0.024 . 1 . . . A 99 LEU HG . 19436 1 723 . 1 1 83 83 LEU HD11 H 1 0.933 0.003 . 2 . . . A 99 LEU HD11 . 19436 1 724 . 1 1 83 83 LEU HD12 H 1 0.933 0.003 . 2 . . . A 99 LEU HD12 . 19436 1 725 . 1 1 83 83 LEU HD13 H 1 0.933 0.003 . 2 . . . A 99 LEU HD13 . 19436 1 726 . 1 1 83 83 LEU HD21 H 1 0.511 0.007 . 2 . . . A 99 LEU HD21 . 19436 1 727 . 1 1 83 83 LEU HD22 H 1 0.511 0.007 . 2 . . . A 99 LEU HD22 . 19436 1 728 . 1 1 83 83 LEU HD23 H 1 0.511 0.007 . 2 . . . A 99 LEU HD23 . 19436 1 729 . 1 1 83 83 LEU C C 13 175.383 0.005 . 1 . . . A 99 LEU C . 19436 1 730 . 1 1 83 83 LEU CA C 13 54.595 0.023 . 1 . . . A 99 LEU CA . 19436 1 731 . 1 1 83 83 LEU CB C 13 40.405 0.054 . 1 . . . A 99 LEU CB . 19436 1 732 . 1 1 83 83 LEU CG C 13 25.638 0.039 . 1 . . . A 99 LEU CG . 19436 1 733 . 1 1 83 83 LEU CD1 C 13 26.665 0.060 . 2 . . . A 99 LEU CD1 . 19436 1 734 . 1 1 83 83 LEU CD2 C 13 21.903 0.037 . 2 . . . A 99 LEU CD2 . 19436 1 735 . 1 1 83 83 LEU N N 15 127.896 0.009 . 1 . . . A 99 LEU N . 19436 1 736 . 1 1 84 84 ASP H H 1 8.050 0.004 . 1 . . . A 100 ASP H . 19436 1 737 . 1 1 84 84 ASP HA H 1 4.719 0.004 . 1 . . . A 100 ASP HA . 19436 1 738 . 1 1 84 84 ASP HB2 H 1 2.753 0.001 . 2 . . . A 100 ASP HB2 . 19436 1 739 . 1 1 84 84 ASP HB3 H 1 2.330 0.003 . 2 . . . A 100 ASP HB3 . 19436 1 740 . 1 1 84 84 ASP C C 13 174.373 0.001 . 1 . . . A 100 ASP C . 19436 1 741 . 1 1 84 84 ASP CA C 13 52.936 0.000 . 1 . . . A 100 ASP CA . 19436 1 742 . 1 1 84 84 ASP CB C 13 41.363 0.000 . 1 . . . A 100 ASP CB . 19436 1 743 . 1 1 84 84 ASP N N 15 126.566 0.014 . 1 . . . A 100 ASP N . 19436 1 744 . 1 1 85 85 MET H H 1 8.777 0.003 . 1 . . . A 101 MET H . 19436 1 745 . 1 1 85 85 MET HA H 1 4.539 0.003 . 1 . . . A 101 MET HA . 19436 1 746 . 1 1 85 85 MET HB2 H 1 1.990 0.011 . 2 . . . A 101 MET HB2 . 19436 1 747 . 1 1 85 85 MET HB3 H 1 1.990 0.011 . 2 . . . A 101 MET HB3 . 19436 1 748 . 1 1 85 85 MET HG2 H 1 2.317 0.005 . 2 . . . A 101 MET HG2 . 19436 1 749 . 1 1 85 85 MET HG3 H 1 2.239 0.005 . 2 . . . A 101 MET HG3 . 19436 1 750 . 1 1 85 85 MET HE1 H 1 2.009 0.003 . 1 . . . A 101 MET HE1 . 19436 1 751 . 1 1 85 85 MET HE2 H 1 2.009 0.003 . 1 . . . A 101 MET HE2 . 19436 1 752 . 1 1 85 85 MET HE3 H 1 2.009 0.003 . 1 . . . A 101 MET HE3 . 19436 1 753 . 1 1 85 85 MET C C 13 174.798 0.000 . 1 . . . A 101 MET C . 19436 1 754 . 1 1 85 85 MET CA C 13 53.657 0.000 . 1 . . . A 101 MET CA . 19436 1 755 . 1 1 85 85 MET CB C 13 33.356 0.000 . 1 . . . A 101 MET CB . 19436 1 756 . 1 1 85 85 MET CG C 13 31.822 0.045 . 1 . . . A 101 MET CG . 19436 1 757 . 1 1 85 85 MET CE C 13 17.203 0.031 . 1 . . . A 101 MET CE . 19436 1 758 . 1 1 85 85 MET N N 15 122.596 0.007 . 1 . . . A 101 MET N . 19436 1 759 . 1 1 86 86 SER H H 1 8.179 0.003 . 1 . . . A 102 SER H . 19436 1 760 . 1 1 86 86 SER HA H 1 4.183 0.007 . 1 . . . A 102 SER HA . 19436 1 761 . 1 1 86 86 SER HB2 H 1 4.051 0.000 . 2 . . . A 102 SER HB2 . 19436 1 762 . 1 1 86 86 SER HB3 H 1 4.051 0.000 . 2 . . . A 102 SER HB3 . 19436 1 763 . 1 1 86 86 SER C C 13 173.995 0.008 . 1 . . . A 102 SER C . 19436 1 764 . 1 1 86 86 SER CA C 13 58.683 0.000 . 1 . . . A 102 SER CA . 19436 1 765 . 1 1 86 86 SER CB C 13 64.826 0.000 . 1 . . . A 102 SER CB . 19436 1 766 . 1 1 86 86 SER N N 15 116.028 0.016 . 1 . . . A 102 SER N . 19436 1 767 . 1 1 87 87 ASP H H 1 8.789 0.004 . 1 . . . A 103 ASP H . 19436 1 768 . 1 1 87 87 ASP HA H 1 3.788 0.003 . 1 . . . A 103 ASP HA . 19436 1 769 . 1 1 87 87 ASP HB2 H 1 2.403 0.008 . 2 . . . A 103 ASP HB2 . 19436 1 770 . 1 1 87 87 ASP HB3 H 1 2.200 0.009 . 2 . . . A 103 ASP HB3 . 19436 1 771 . 1 1 87 87 ASP C C 13 176.757 0.004 . 1 . . . A 103 ASP C . 19436 1 772 . 1 1 87 87 ASP CA C 13 57.426 0.000 . 1 . . . A 103 ASP CA . 19436 1 773 . 1 1 87 87 ASP CB C 13 38.866 0.000 . 1 . . . A 103 ASP CB . 19436 1 774 . 1 1 87 87 ASP N N 15 121.658 0.023 . 1 . . . A 103 ASP N . 19436 1 775 . 1 1 88 88 LYS H H 1 7.876 0.003 . 1 . . . A 104 LYS H . 19436 1 776 . 1 1 88 88 LYS HA H 1 3.751 0.005 . 1 . . . A 104 LYS HA . 19436 1 777 . 1 1 88 88 LYS HB2 H 1 1.760 0.003 . 2 . . . A 104 LYS HB2 . 19436 1 778 . 1 1 88 88 LYS HB3 H 1 1.703 0.006 . 2 . . . A 104 LYS HB3 . 19436 1 779 . 1 1 88 88 LYS HG2 H 1 1.374 0.000 . 2 . . . A 104 LYS HG2 . 19436 1 780 . 1 1 88 88 LYS HG3 H 1 1.374 0.000 . 2 . . . A 104 LYS HG3 . 19436 1 781 . 1 1 88 88 LYS HD2 H 1 1.519 0.000 . 2 . . . A 104 LYS HD2 . 19436 1 782 . 1 1 88 88 LYS HD3 H 1 1.519 0.000 . 2 . . . A 104 LYS HD3 . 19436 1 783 . 1 1 88 88 LYS HE2 H 1 2.990 0.000 . 2 . . . A 104 LYS HE2 . 19436 1 784 . 1 1 88 88 LYS HE3 H 1 2.990 0.000 . 2 . . . A 104 LYS HE3 . 19436 1 785 . 1 1 88 88 LYS C C 13 178.882 0.007 . 1 . . . A 104 LYS C . 19436 1 786 . 1 1 88 88 LYS CA C 13 59.891 0.000 . 1 . . . A 104 LYS CA . 19436 1 787 . 1 1 88 88 LYS CB C 13 32.195 0.039 . 1 . . . A 104 LYS CB . 19436 1 788 . 1 1 88 88 LYS CG C 13 25.072 0.000 . 1 . . . A 104 LYS CG . 19436 1 789 . 1 1 88 88 LYS CD C 13 29.404 0.000 . 1 . . . A 104 LYS CD . 19436 1 790 . 1 1 88 88 LYS CE C 13 42.033 0.000 . 1 . . . A 104 LYS CE . 19436 1 791 . 1 1 88 88 LYS N N 15 116.258 0.019 . 1 . . . A 104 LYS N . 19436 1 792 . 1 1 89 89 ALA H H 1 7.360 0.003 . 1 . . . A 105 ALA H . 19436 1 793 . 1 1 89 89 ALA HA H 1 3.939 0.004 . 1 . . . A 105 ALA HA . 19436 1 794 . 1 1 89 89 ALA HB1 H 1 1.287 0.004 . 1 . . . A 105 ALA HB1 . 19436 1 795 . 1 1 89 89 ALA HB2 H 1 1.287 0.004 . 1 . . . A 105 ALA HB2 . 19436 1 796 . 1 1 89 89 ALA HB3 H 1 1.287 0.004 . 1 . . . A 105 ALA HB3 . 19436 1 797 . 1 1 89 89 ALA C C 13 181.112 0.000 . 1 . . . A 105 ALA C . 19436 1 798 . 1 1 89 89 ALA CA C 13 55.118 0.043 . 1 . . . A 105 ALA CA . 19436 1 799 . 1 1 89 89 ALA CB C 13 17.847 0.025 . 1 . . . A 105 ALA CB . 19436 1 800 . 1 1 89 89 ALA N N 15 122.459 0.014 . 1 . . . A 105 ALA N . 19436 1 801 . 1 1 90 90 ILE H H 1 8.119 0.004 . 1 . . . A 106 ILE H . 19436 1 802 . 1 1 90 90 ILE HA H 1 3.477 0.003 . 1 . . . A 106 ILE HA . 19436 1 803 . 1 1 90 90 ILE HB H 1 1.786 0.005 . 1 . . . A 106 ILE HB . 19436 1 804 . 1 1 90 90 ILE HG12 H 1 1.652 0.007 . 2 . . . A 106 ILE HG12 . 19436 1 805 . 1 1 90 90 ILE HG13 H 1 1.652 0.007 . 2 . . . A 106 ILE HG13 . 19436 1 806 . 1 1 90 90 ILE HG21 H 1 0.852 0.005 . 1 . . . A 106 ILE HG21 . 19436 1 807 . 1 1 90 90 ILE HG22 H 1 0.852 0.005 . 1 . . . A 106 ILE HG22 . 19436 1 808 . 1 1 90 90 ILE HG23 H 1 0.852 0.005 . 1 . . . A 106 ILE HG23 . 19436 1 809 . 1 1 90 90 ILE HD11 H 1 0.821 0.006 . 1 . . . A 106 ILE HD11 . 19436 1 810 . 1 1 90 90 ILE HD12 H 1 0.821 0.006 . 1 . . . A 106 ILE HD12 . 19436 1 811 . 1 1 90 90 ILE HD13 H 1 0.821 0.006 . 1 . . . A 106 ILE HD13 . 19436 1 812 . 1 1 90 90 ILE C C 13 177.697 0.015 . 1 . . . A 106 ILE C . 19436 1 813 . 1 1 90 90 ILE CA C 13 66.112 0.049 . 1 . . . A 106 ILE CA . 19436 1 814 . 1 1 90 90 ILE CB C 13 37.678 0.058 . 1 . . . A 106 ILE CB . 19436 1 815 . 1 1 90 90 ILE CG1 C 13 28.878 0.000 . 1 . . . A 106 ILE CG1 . 19436 1 816 . 1 1 90 90 ILE CG2 C 13 18.536 0.036 . 1 . . . A 106 ILE CG2 . 19436 1 817 . 1 1 90 90 ILE CD1 C 13 14.472 0.041 . 1 . . . A 106 ILE CD1 . 19436 1 818 . 1 1 90 90 ILE N N 15 119.583 0.009 . 1 . . . A 106 ILE N . 19436 1 819 . 1 1 91 91 PHE H H 1 8.553 0.003 . 1 . . . A 107 PHE H . 19436 1 820 . 1 1 91 91 PHE HA H 1 4.431 0.007 . 1 . . . A 107 PHE HA . 19436 1 821 . 1 1 91 91 PHE HB2 H 1 3.169 0.008 . 2 . . . A 107 PHE HB2 . 19436 1 822 . 1 1 91 91 PHE HB3 H 1 3.068 0.013 . 2 . . . A 107 PHE HB3 . 19436 1 823 . 1 1 91 91 PHE HD1 H 1 6.980 0.007 . 3 . . . A 107 PHE HD1 . 19436 1 824 . 1 1 91 91 PHE HD2 H 1 6.980 0.007 . 3 . . . A 107 PHE HD2 . 19436 1 825 . 1 1 91 91 PHE HE1 H 1 7.174 0.000 . 3 . . . A 107 PHE HE1 . 19436 1 826 . 1 1 91 91 PHE HE2 H 1 7.174 0.000 . 3 . . . A 107 PHE HE2 . 19436 1 827 . 1 1 91 91 PHE C C 13 177.987 0.002 . 1 . . . A 107 PHE C . 19436 1 828 . 1 1 91 91 PHE CA C 13 56.968 0.000 . 1 . . . A 107 PHE CA . 19436 1 829 . 1 1 91 91 PHE CB C 13 37.281 0.074 . 1 . . . A 107 PHE CB . 19436 1 830 . 1 1 91 91 PHE N N 15 117.768 0.018 . 1 . . . A 107 PHE N . 19436 1 831 . 1 1 92 92 ARG H H 1 7.532 0.003 . 1 . . . A 108 ARG H . 19436 1 832 . 1 1 92 92 ARG HA H 1 4.059 0.002 . 1 . . . A 108 ARG HA . 19436 1 833 . 1 1 92 92 ARG HB2 H 1 1.883 0.015 . 2 . . . A 108 ARG HB2 . 19436 1 834 . 1 1 92 92 ARG HB3 H 1 1.846 0.015 . 2 . . . A 108 ARG HB3 . 19436 1 835 . 1 1 92 92 ARG HG2 H 1 1.756 0.005 . 2 . . . A 108 ARG HG2 . 19436 1 836 . 1 1 92 92 ARG HG3 H 1 1.575 0.000 . 2 . . . A 108 ARG HG3 . 19436 1 837 . 1 1 92 92 ARG HD2 H 1 3.198 0.000 . 2 . . . A 108 ARG HD2 . 19436 1 838 . 1 1 92 92 ARG HD3 H 1 3.198 0.000 . 2 . . . A 108 ARG HD3 . 19436 1 839 . 1 1 92 92 ARG C C 13 177.520 0.001 . 1 . . . A 108 ARG C . 19436 1 840 . 1 1 92 92 ARG CA C 13 58.690 0.000 . 1 . . . A 108 ARG CA . 19436 1 841 . 1 1 92 92 ARG CB C 13 30.417 0.053 . 1 . . . A 108 ARG CB . 19436 1 842 . 1 1 92 92 ARG CG C 13 27.352 0.000 . 1 . . . A 108 ARG CG . 19436 1 843 . 1 1 92 92 ARG CD C 13 43.497 0.000 . 1 . . . A 108 ARG CD . 19436 1 844 . 1 1 92 92 ARG N N 15 117.370 0.014 . 1 . . . A 108 ARG N . 19436 1 845 . 1 1 93 93 ARG H H 1 7.222 0.003 . 1 . . . A 109 ARG H . 19436 1 846 . 1 1 93 93 ARG HA H 1 3.967 0.003 . 1 . . . A 109 ARG HA . 19436 1 847 . 1 1 93 93 ARG HB2 H 1 1.459 0.010 . 2 . . . A 109 ARG HB2 . 19436 1 848 . 1 1 93 93 ARG HB3 H 1 1.157 0.013 . 2 . . . A 109 ARG HB3 . 19436 1 849 . 1 1 93 93 ARG HG2 H 1 1.227 0.000 . 2 . . . A 109 ARG HG2 . 19436 1 850 . 1 1 93 93 ARG HG3 H 1 0.917 0.004 . 2 . . . A 109 ARG HG3 . 19436 1 851 . 1 1 93 93 ARG HD2 H 1 3.040 0.004 . 2 . . . A 109 ARG HD2 . 19436 1 852 . 1 1 93 93 ARG HD3 H 1 2.842 0.003 . 2 . . . A 109 ARG HD3 . 19436 1 853 . 1 1 93 93 ARG C C 13 176.168 0.005 . 1 . . . A 109 ARG C . 19436 1 854 . 1 1 93 93 ARG CA C 13 57.472 0.000 . 1 . . . A 109 ARG CA . 19436 1 855 . 1 1 93 93 ARG CB C 13 31.746 0.028 . 1 . . . A 109 ARG CB . 19436 1 856 . 1 1 93 93 ARG CG C 13 27.042 0.000 . 1 . . . A 109 ARG CG . 19436 1 857 . 1 1 93 93 ARG CD C 13 43.311 0.000 . 1 . . . A 109 ARG CD . 19436 1 858 . 1 1 93 93 ARG N N 15 117.482 0.006 . 1 . . . A 109 ARG N . 19436 1 859 . 1 1 94 94 TYR H H 1 8.823 0.003 . 1 . . . A 110 TYR H . 19436 1 860 . 1 1 94 94 TYR HA H 1 5.333 0.009 . 1 . . . A 110 TYR HA . 19436 1 861 . 1 1 94 94 TYR HB2 H 1 3.043 0.004 . 2 . . . A 110 TYR HB2 . 19436 1 862 . 1 1 94 94 TYR HB3 H 1 3.043 0.004 . 2 . . . A 110 TYR HB3 . 19436 1 863 . 1 1 94 94 TYR HD1 H 1 7.295 0.007 . 3 . . . A 110 TYR HD1 . 19436 1 864 . 1 1 94 94 TYR HD2 H 1 7.295 0.007 . 3 . . . A 110 TYR HD2 . 19436 1 865 . 1 1 94 94 TYR HE1 H 1 6.821 0.008 . 3 . . . A 110 TYR HE1 . 19436 1 866 . 1 1 94 94 TYR HE2 H 1 6.821 0.008 . 3 . . . A 110 TYR HE2 . 19436 1 867 . 1 1 94 94 TYR C C 13 172.361 0.000 . 1 . . . A 110 TYR C . 19436 1 868 . 1 1 94 94 TYR CB C 13 38.546 0.068 . 1 . . . A 110 TYR CB . 19436 1 869 . 1 1 94 94 TYR N N 15 116.126 0.007 . 1 . . . A 110 TYR N . 19436 1 870 . 1 1 95 95 PRO HA H 1 4.441 0.003 . 1 . . . A 111 PRO HA . 19436 1 871 . 1 1 95 95 PRO HB2 H 1 2.420 0.003 . 2 . . . A 111 PRO HB2 . 19436 1 872 . 1 1 95 95 PRO HB3 H 1 2.059 0.005 . 2 . . . A 111 PRO HB3 . 19436 1 873 . 1 1 95 95 PRO HG2 H 1 2.135 0.002 . 2 . . . A 111 PRO HG2 . 19436 1 874 . 1 1 95 95 PRO HD2 H 1 4.029 0.005 . 2 . . . A 111 PRO HD2 . 19436 1 875 . 1 1 95 95 PRO HD3 H 1 3.358 0.002 . 2 . . . A 111 PRO HD3 . 19436 1 876 . 1 1 95 95 PRO C C 13 178.491 0.000 . 1 . . . A 111 PRO C . 19436 1 877 . 1 1 95 95 PRO CA C 13 64.854 0.000 . 1 . . . A 111 PRO CA . 19436 1 878 . 1 1 95 95 PRO CB C 13 31.694 0.053 . 1 . . . A 111 PRO CB . 19436 1 879 . 1 1 95 95 PRO CG C 13 27.284 0.009 . 1 . . . A 111 PRO CG . 19436 1 880 . 1 1 95 95 PRO CD C 13 50.449 0.076 . 1 . . . A 111 PRO CD . 19436 1 881 . 1 1 96 96 HIS H H 1 8.274 0.003 . 1 . . . A 112 HIS H . 19436 1 882 . 1 1 96 96 HIS HA H 1 4.549 0.003 . 1 . . . A 112 HIS HA . 19436 1 883 . 1 1 96 96 HIS HB2 H 1 3.314 0.004 . 2 . . . A 112 HIS HB2 . 19436 1 884 . 1 1 96 96 HIS HB3 H 1 2.952 0.006 . 2 . . . A 112 HIS HB3 . 19436 1 885 . 1 1 96 96 HIS HD2 H 1 7.295 0.006 . 1 . . . A 112 HIS HD2 . 19436 1 886 . 1 1 96 96 HIS HE1 H 1 7.432 0.013 . 1 . . . A 112 HIS HE1 . 19436 1 887 . 1 1 96 96 HIS C C 13 176.202 0.042 . 1 . . . A 112 HIS C . 19436 1 888 . 1 1 96 96 HIS CA C 13 58.597 0.000 . 1 . . . A 112 HIS CA . 19436 1 889 . 1 1 96 96 HIS CB C 13 29.685 0.036 . 1 . . . A 112 HIS CB . 19436 1 890 . 1 1 96 96 HIS N N 15 115.604 0.016 . 1 . . . A 112 HIS N . 19436 1 891 . 1 1 97 97 LEU H H 1 7.609 0.003 . 1 . . . A 113 LEU H . 19436 1 892 . 1 1 97 97 LEU HA H 1 4.228 0.003 . 1 . . . A 113 LEU HA . 19436 1 893 . 1 1 97 97 LEU HB2 H 1 1.720 0.010 . 2 . . . A 113 LEU HB2 . 19436 1 894 . 1 1 97 97 LEU HB3 H 1 1.481 0.009 . 2 . . . A 113 LEU HB3 . 19436 1 895 . 1 1 97 97 LEU HG H 1 0.488 0.005 . 1 . . . A 113 LEU HG . 19436 1 896 . 1 1 97 97 LEU HD11 H 1 0.012 0.004 . 2 . . . A 113 LEU HD11 . 19436 1 897 . 1 1 97 97 LEU HD12 H 1 0.012 0.004 . 2 . . . A 113 LEU HD12 . 19436 1 898 . 1 1 97 97 LEU HD13 H 1 0.012 0.004 . 2 . . . A 113 LEU HD13 . 19436 1 899 . 1 1 97 97 LEU HD21 H 1 0.557 0.024 . 2 . . . A 113 LEU HD21 . 19436 1 900 . 1 1 97 97 LEU HD22 H 1 0.557 0.024 . 2 . . . A 113 LEU HD22 . 19436 1 901 . 1 1 97 97 LEU HD23 H 1 0.557 0.024 . 2 . . . A 113 LEU HD23 . 19436 1 902 . 1 1 97 97 LEU C C 13 175.906 0.009 . 1 . . . A 113 LEU C . 19436 1 903 . 1 1 97 97 LEU CA C 13 54.105 0.000 . 1 . . . A 113 LEU CA . 19436 1 904 . 1 1 97 97 LEU CB C 13 41.759 0.042 . 1 . . . A 113 LEU CB . 19436 1 905 . 1 1 97 97 LEU CG C 13 27.458 0.024 . 1 . . . A 113 LEU CG . 19436 1 906 . 1 1 97 97 LEU CD1 C 13 25.756 0.041 . 2 . . . A 113 LEU CD1 . 19436 1 907 . 1 1 97 97 LEU CD2 C 13 23.033 0.065 . 2 . . . A 113 LEU CD2 . 19436 1 908 . 1 1 97 97 LEU N N 15 120.646 0.016 . 1 . . . A 113 LEU N . 19436 1 909 . 1 1 98 98 ARG H H 1 7.079 0.042 . 1 . . . A 114 ARG H . 19436 1 910 . 1 1 98 98 ARG C C 13 180.927 0.000 . 1 . . . A 114 ARG C . 19436 1 911 . 1 1 98 98 ARG N N 15 125.478 0.008 . 1 . . . A 114 ARG N . 19436 1 stop_ save_