data_16733 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16733 _Entry.Title ; NMR structure of the PASTA domain 2 and 3 of Mycobacterium tuberculosis of PknB ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-17 _Entry.Accession_date 2010-02-17 _Entry.Last_release_date 2010-05-18 _Entry.Original_release_date 2010-05-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Philippe Barthe . . . 16733 2 Martin Cohen-Gonsaud . . . 16733 3 Christian Roumestand . . . 16733 4 Galina Mukamolova . . . 16733 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 . 'not applicable' 'not applicable' . 16733 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'external domain' . 16733 kinase . 16733 resuscitation . 16733 signaling . 16733 STPK . 16733 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16733 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 387 16733 '15N chemical shifts' 139 16733 '1H chemical shifts' 896 16733 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-05-18 2010-02-17 original author . 16733 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16732 'PASTA domain 1 and 2 of PknB' 16733 BMRB 16734 'PASTA domain 3 and 4 of PknB' 16733 PDB 2KUE 'BMRB Entry Tracking System' 16733 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16733 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20462494 _Citation.Full_citation . _Citation.Title 'The structure of PknB extracellular PASTA domain from mycobacterium tuberculosis suggests a ligand-dependent kinase activation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Structure (Cambridge, MA, U. S.)' _Citation.Journal_name_full 'Structure (Cambridge, MA, United States)' _Citation.Journal_volume 18 _Citation.Journal_issue 5 _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 606 _Citation.Page_last 615 _Citation.Year 2010 _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 Philippe Barthe . . . 16733 1 2 Galina Mukamolova . V. . 16733 1 3 Christian Roumestand . . . 16733 1 4 Martin Cohen-Gonsaud . . . 16733 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16733 _Assembly.ID 1 _Assembly.Name PknB_PASTA23 _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 entity 1 $PknB_PASTA23 A . yes native no no . . . 16733 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PknB_PASTA23 _Entity.Sf_category entity _Entity.Sf_framecode PknB_PASTA23 _Entity.Entry_ID 16733 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PknB_PASTA23 _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 ; GHMGPEQREIPDVSTLTYAE AVKKLTAAGFGRFKQANSPS TPELVGKVIGTNPPANQTSA ITNVVIIIVGSGPATKDIPD VAGQTVDVAQKNLNVYGFTK FSQASVDSPRPAGEVTGTNP PAGTTVPVDSVIELQVSK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'PASTA domains 2 and 3' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2KUE . "Nmr Structure Of The Pasta Domain 2 And 3 Of Mycobacterium Tuberculosis Of Pknb" . . . . . 100.00 138 100.00 100.00 1.31e-91 . . . . 16733 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 . GLY . 16733 1 2 . HIS . 16733 1 3 . MET . 16733 1 4 . GLY . 16733 1 5 . PRO . 16733 1 6 . GLU . 16733 1 7 . GLN . 16733 1 8 . ARG . 16733 1 9 . GLU . 16733 1 10 . ILE . 16733 1 11 . PRO . 16733 1 12 . ASP . 16733 1 13 . VAL . 16733 1 14 . SER . 16733 1 15 . THR . 16733 1 16 . LEU . 16733 1 17 . THR . 16733 1 18 . TYR . 16733 1 19 . ALA . 16733 1 20 . GLU . 16733 1 21 . ALA . 16733 1 22 . VAL . 16733 1 23 . LYS . 16733 1 24 . LYS . 16733 1 25 . LEU . 16733 1 26 . THR . 16733 1 27 . ALA . 16733 1 28 . ALA . 16733 1 29 . GLY . 16733 1 30 . PHE . 16733 1 31 . GLY . 16733 1 32 . ARG . 16733 1 33 . PHE . 16733 1 34 . LYS . 16733 1 35 . GLN . 16733 1 36 . ALA . 16733 1 37 . ASN . 16733 1 38 . SER . 16733 1 39 . PRO . 16733 1 40 . SER . 16733 1 41 . THR . 16733 1 42 . PRO . 16733 1 43 . GLU . 16733 1 44 . LEU . 16733 1 45 . VAL . 16733 1 46 . GLY . 16733 1 47 . LYS . 16733 1 48 . VAL . 16733 1 49 . ILE . 16733 1 50 . GLY . 16733 1 51 . THR . 16733 1 52 . ASN . 16733 1 53 . PRO . 16733 1 54 . PRO . 16733 1 55 . ALA . 16733 1 56 . ASN . 16733 1 57 . GLN . 16733 1 58 . THR . 16733 1 59 . SER . 16733 1 60 . ALA . 16733 1 61 . ILE . 16733 1 62 . THR . 16733 1 63 . ASN . 16733 1 64 . VAL . 16733 1 65 . VAL . 16733 1 66 . ILE . 16733 1 67 . ILE . 16733 1 68 . ILE . 16733 1 69 . VAL . 16733 1 70 . GLY . 16733 1 71 . SER . 16733 1 72 . GLY . 16733 1 73 . PRO . 16733 1 74 . ALA . 16733 1 75 . THR . 16733 1 76 . LYS . 16733 1 77 . ASP . 16733 1 78 . ILE . 16733 1 79 . PRO . 16733 1 80 . ASP . 16733 1 81 . VAL . 16733 1 82 . ALA . 16733 1 83 . GLY . 16733 1 84 . GLN . 16733 1 85 . THR . 16733 1 86 . VAL . 16733 1 87 . ASP . 16733 1 88 . VAL . 16733 1 89 . ALA . 16733 1 90 . GLN . 16733 1 91 . LYS . 16733 1 92 . ASN . 16733 1 93 . LEU . 16733 1 94 . ASN . 16733 1 95 . VAL . 16733 1 96 . TYR . 16733 1 97 . GLY . 16733 1 98 . PHE . 16733 1 99 . THR . 16733 1 100 . LYS . 16733 1 101 . PHE . 16733 1 102 . SER . 16733 1 103 . GLN . 16733 1 104 . ALA . 16733 1 105 . SER . 16733 1 106 . VAL . 16733 1 107 . ASP . 16733 1 108 . SER . 16733 1 109 . PRO . 16733 1 110 . ARG . 16733 1 111 . PRO . 16733 1 112 . ALA . 16733 1 113 . GLY . 16733 1 114 . GLU . 16733 1 115 . VAL . 16733 1 116 . THR . 16733 1 117 . GLY . 16733 1 118 . THR . 16733 1 119 . ASN . 16733 1 120 . PRO . 16733 1 121 . PRO . 16733 1 122 . ALA . 16733 1 123 . GLY . 16733 1 124 . THR . 16733 1 125 . THR . 16733 1 126 . VAL . 16733 1 127 . PRO . 16733 1 128 . VAL . 16733 1 129 . ASP . 16733 1 130 . SER . 16733 1 131 . VAL . 16733 1 132 . ILE . 16733 1 133 . GLU . 16733 1 134 . LEU . 16733 1 135 . GLN . 16733 1 136 . VAL . 16733 1 137 . SER . 16733 1 138 . LYS . 16733 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 . GLY 1 1 16733 1 . HIS 2 2 16733 1 . MET 3 3 16733 1 . GLY 4 4 16733 1 . PRO 5 5 16733 1 . GLU 6 6 16733 1 . GLN 7 7 16733 1 . ARG 8 8 16733 1 . GLU 9 9 16733 1 . ILE 10 10 16733 1 . PRO 11 11 16733 1 . ASP 12 12 16733 1 . VAL 13 13 16733 1 . SER 14 14 16733 1 . THR 15 15 16733 1 . LEU 16 16 16733 1 . THR 17 17 16733 1 . TYR 18 18 16733 1 . ALA 19 19 16733 1 . GLU 20 20 16733 1 . ALA 21 21 16733 1 . VAL 22 22 16733 1 . LYS 23 23 16733 1 . LYS 24 24 16733 1 . LEU 25 25 16733 1 . THR 26 26 16733 1 . ALA 27 27 16733 1 . ALA 28 28 16733 1 . GLY 29 29 16733 1 . PHE 30 30 16733 1 . GLY 31 31 16733 1 . ARG 32 32 16733 1 . PHE 33 33 16733 1 . LYS 34 34 16733 1 . GLN 35 35 16733 1 . ALA 36 36 16733 1 . ASN 37 37 16733 1 . SER 38 38 16733 1 . PRO 39 39 16733 1 . SER 40 40 16733 1 . THR 41 41 16733 1 . PRO 42 42 16733 1 . GLU 43 43 16733 1 . LEU 44 44 16733 1 . VAL 45 45 16733 1 . GLY 46 46 16733 1 . LYS 47 47 16733 1 . VAL 48 48 16733 1 . ILE 49 49 16733 1 . GLY 50 50 16733 1 . THR 51 51 16733 1 . ASN 52 52 16733 1 . PRO 53 53 16733 1 . PRO 54 54 16733 1 . ALA 55 55 16733 1 . ASN 56 56 16733 1 . GLN 57 57 16733 1 . THR 58 58 16733 1 . SER 59 59 16733 1 . ALA 60 60 16733 1 . ILE 61 61 16733 1 . THR 62 62 16733 1 . ASN 63 63 16733 1 . VAL 64 64 16733 1 . VAL 65 65 16733 1 . ILE 66 66 16733 1 . ILE 67 67 16733 1 . ILE 68 68 16733 1 . VAL 69 69 16733 1 . GLY 70 70 16733 1 . SER 71 71 16733 1 . GLY 72 72 16733 1 . PRO 73 73 16733 1 . ALA 74 74 16733 1 . THR 75 75 16733 1 . LYS 76 76 16733 1 . ASP 77 77 16733 1 . ILE 78 78 16733 1 . PRO 79 79 16733 1 . ASP 80 80 16733 1 . VAL 81 81 16733 1 . ALA 82 82 16733 1 . GLY 83 83 16733 1 . GLN 84 84 16733 1 . THR 85 85 16733 1 . VAL 86 86 16733 1 . ASP 87 87 16733 1 . VAL 88 88 16733 1 . ALA 89 89 16733 1 . GLN 90 90 16733 1 . LYS 91 91 16733 1 . ASN 92 92 16733 1 . LEU 93 93 16733 1 . ASN 94 94 16733 1 . VAL 95 95 16733 1 . TYR 96 96 16733 1 . GLY 97 97 16733 1 . PHE 98 98 16733 1 . THR 99 99 16733 1 . LYS 100 100 16733 1 . PHE 101 101 16733 1 . SER 102 102 16733 1 . GLN 103 103 16733 1 . ALA 104 104 16733 1 . SER 105 105 16733 1 . VAL 106 106 16733 1 . ASP 107 107 16733 1 . SER 108 108 16733 1 . PRO 109 109 16733 1 . ARG 110 110 16733 1 . PRO 111 111 16733 1 . ALA 112 112 16733 1 . GLY 113 113 16733 1 . GLU 114 114 16733 1 . VAL 115 115 16733 1 . THR 116 116 16733 1 . GLY 117 117 16733 1 . THR 118 118 16733 1 . ASN 119 119 16733 1 . PRO 120 120 16733 1 . PRO 121 121 16733 1 . ALA 122 122 16733 1 . GLY 123 123 16733 1 . THR 124 124 16733 1 . THR 125 125 16733 1 . VAL 126 126 16733 1 . PRO 127 127 16733 1 . VAL 128 128 16733 1 . ASP 129 129 16733 1 . SER 130 130 16733 1 . VAL 131 131 16733 1 . ILE 132 132 16733 1 . GLU 133 133 16733 1 . LEU 134 134 16733 1 . GLN 135 135 16733 1 . VAL 136 136 16733 1 . SER 137 137 16733 1 . LYS 138 138 16733 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 16733 _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 $PknB_PASTA23 . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis H37Rv . . . . . . . . . . . . . . . Rv0014c . 'Residues 423 to 557' . . 16733 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 16733 _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 $PknB_PASTA23 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET21-TEV . . . . . . 16733 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16733 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PknB_PASTA23 '[U-100% 15N]' . . 1 $PknB_PASTA23 . . 0.6 . . mM 0.1 . . . 16733 1 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 16733 1 3 H2O 'natural abundance' . . . . . . 95 . . % 0.1 . . . 16733 1 4 D2O 'natural abundance' . . . . . . 5 . . % 0.1 . . . 16733 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16733 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PknB_PASTA23 '[U-100% 13C; U-100% 15N]' . . 1 $PknB_PASTA23 . . 0.6 . . mM 0.1 . . . 16733 2 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 16733 2 3 H2O 'natural abundance' . . . . . . 95 . . % 0.1 . . . 16733 2 4 D2O 'natural abundance' . . . . . . 5 . . % 0.1 . . . 16733 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 16733 _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' 20 . mM 16733 1 pH 4.6 0.1 pH 16733 1 pressure 1 . atm 16733 1 temperature 283 0.1 K 16733 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16733 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16733 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16733 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16733 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16733 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16733 _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 III' . 700 . . . 16733 1 2 spectrometer_2 Bruker 'Avance III' . 500 . . . 16733 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 16733 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16733 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16733 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16733 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16733 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16733 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16733 1 7 '3D HNCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16733 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 16733 _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 . . . . . . . . . 16733 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16733 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16733 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 16733 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.001 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 16733 1 3 '3D HNCA' . . . 16733 1 4 '3D HN(COCA)CB' . . . 16733 1 6 '3D HNCO' . . . 16733 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 4 4 GLY H H 1 8.458 0.001 . 1 . . . . 423 GLY H . 16733 1 2 . 1 1 4 4 GLY HA2 H 1 4.123 0.001 . 2 . . . . 423 GLY HA2 . 16733 1 3 . 1 1 4 4 GLY HA3 H 1 4.056 0.001 . 2 . . . . 423 GLY HA3 . 16733 1 4 . 1 1 4 4 GLY C C 13 171.660 0.01 . 1 . . . . 423 GLY C . 16733 1 5 . 1 1 4 4 GLY CA C 13 44.630 0.01 . 1 . . . . 423 GLY CA . 16733 1 6 . 1 1 4 4 GLY N N 15 111.130 0.01 . 1 . . . . 423 GLY N . 16733 1 7 . 1 1 5 5 PRO HA H 1 4.426 0.001 . 1 . . . . 424 PRO HA . 16733 1 8 . 1 1 5 5 PRO HD2 H 1 3.619 0.001 . 2 . . . . 424 PRO HD2 . 16733 1 9 . 1 1 5 5 PRO HD3 H 1 3.602 0.001 . 2 . . . . 424 PRO HD3 . 16733 1 10 . 1 1 5 5 PRO C C 13 177.110 0.01 . 1 . . . . 424 PRO C . 16733 1 11 . 1 1 5 5 PRO CA C 13 63.070 0.01 . 1 . . . . 424 PRO CA . 16733 1 12 . 1 1 5 5 PRO CB C 13 32.280 0.01 . 1 . . . . 424 PRO CB . 16733 1 13 . 1 1 6 6 GLU H H 1 8.779 0.001 . 1 . . . . 425 GLU H . 16733 1 14 . 1 1 6 6 GLU HA H 1 4.170 0.001 . 1 . . . . 425 GLU HA . 16733 1 15 . 1 1 6 6 GLU HB2 H 1 1.959 0.001 . 2 . . . . 425 GLU HB2 . 16733 1 16 . 1 1 6 6 GLU HB3 H 1 1.943 0.001 . 2 . . . . 425 GLU HB3 . 16733 1 17 . 1 1 6 6 GLU HG2 H 1 2.321 0.001 . 2 . . . . 425 GLU HG2 . 16733 1 18 . 1 1 6 6 GLU HG3 H 1 2.180 0.001 . 2 . . . . 425 GLU HG3 . 16733 1 19 . 1 1 6 6 GLU C C 13 175.440 0.01 . 1 . . . . 425 GLU C . 16733 1 20 . 1 1 6 6 GLU CA C 13 57.080 0.01 . 1 . . . . 425 GLU CA . 16733 1 21 . 1 1 6 6 GLU CB C 13 30.010 0.01 . 1 . . . . 425 GLU CB . 16733 1 22 . 1 1 6 6 GLU N N 15 121.510 0.01 . 1 . . . . 425 GLU N . 16733 1 23 . 1 1 7 7 GLN H H 1 8.286 0.001 . 1 . . . . 426 GLN H . 16733 1 24 . 1 1 7 7 GLN HA H 1 4.808 0.001 . 1 . . . . 426 GLN HA . 16733 1 25 . 1 1 7 7 GLN HB2 H 1 1.853 0.001 . 2 . . . . 426 GLN HB2 . 16733 1 26 . 1 1 7 7 GLN HB3 H 1 1.813 0.001 . 2 . . . . 426 GLN HB3 . 16733 1 27 . 1 1 7 7 GLN HE21 H 1 7.533 0.001 . 2 . . . . 426 GLN HE21 . 16733 1 28 . 1 1 7 7 GLN HE22 H 1 6.822 0.001 . 2 . . . . 426 GLN HE22 . 16733 1 29 . 1 1 7 7 GLN HG2 H 1 2.338 0.001 . 2 . . . . 426 GLN HG2 . 16733 1 30 . 1 1 7 7 GLN HG3 H 1 2.020 0.001 . 2 . . . . 426 GLN HG3 . 16733 1 31 . 1 1 7 7 GLN C C 13 175.490 0.01 . 1 . . . . 426 GLN C . 16733 1 32 . 1 1 7 7 GLN CA C 13 54.450 0.01 . 1 . . . . 426 GLN CA . 16733 1 33 . 1 1 7 7 GLN CB C 13 30.980 0.01 . 1 . . . . 426 GLN CB . 16733 1 34 . 1 1 7 7 GLN N N 15 120.890 0.01 . 1 . . . . 426 GLN N . 16733 1 35 . 1 1 7 7 GLN NE2 N 15 111.610 0.01 . 1 . . . . 426 GLN NE2 . 16733 1 36 . 1 1 8 8 ARG H H 1 8.522 0.001 . 1 . . . . 427 ARG H . 16733 1 37 . 1 1 8 8 ARG HA H 1 4.712 0.001 . 1 . . . . 427 ARG HA . 16733 1 38 . 1 1 8 8 ARG HB2 H 1 1.880 0.001 . 2 . . . . 427 ARG HB2 . 16733 1 39 . 1 1 8 8 ARG HB3 H 1 1.830 0.001 . 2 . . . . 427 ARG HB3 . 16733 1 40 . 1 1 8 8 ARG HD2 H 1 3.345 0.001 . 2 . . . . 427 ARG HD2 . 16733 1 41 . 1 1 8 8 ARG HD3 H 1 3.081 0.001 . 2 . . . . 427 ARG HD3 . 16733 1 42 . 1 1 8 8 ARG HE H 1 7.253 0.001 . 1 . . . . 427 ARG HE . 16733 1 43 . 1 1 8 8 ARG HG2 H 1 1.420 0.001 . 2 . . . . 427 ARG HG2 . 16733 1 44 . 1 1 8 8 ARG HG3 H 1 1.337 0.001 . 2 . . . . 427 ARG HG3 . 16733 1 45 . 1 1 8 8 ARG C C 13 174.850 0.01 . 1 . . . . 427 ARG C . 16733 1 46 . 1 1 8 8 ARG CA C 13 53.550 0.01 . 1 . . . . 427 ARG CA . 16733 1 47 . 1 1 8 8 ARG CB C 13 34.800 0.01 . 1 . . . . 427 ARG CB . 16733 1 48 . 1 1 8 8 ARG N N 15 120.630 0.01 . 1 . . . . 427 ARG N . 16733 1 49 . 1 1 8 8 ARG NE N 15 84.830 0.01 . 1 . . . . 427 ARG NE . 16733 1 50 . 1 1 9 9 GLU H H 1 8.728 0.001 . 1 . . . . 428 GLU H . 16733 1 51 . 1 1 9 9 GLU HA H 1 4.405 0.001 . 1 . . . . 428 GLU HA . 16733 1 52 . 1 1 9 9 GLU HB2 H 1 1.905 0.001 . 2 . . . . 428 GLU HB2 . 16733 1 53 . 1 1 9 9 GLU HB3 H 1 1.808 0.001 . 2 . . . . 428 GLU HB3 . 16733 1 54 . 1 1 9 9 GLU HG2 H 1 2.123 0.001 . 2 . . . . 428 GLU HG2 . 16733 1 55 . 1 1 9 9 GLU HG3 H 1 2.123 0.001 . 2 . . . . 428 GLU HG3 . 16733 1 56 . 1 1 9 9 GLU C C 13 176.540 0.01 . 1 . . . . 428 GLU C . 16733 1 57 . 1 1 9 9 GLU CA C 13 56.290 0.01 . 1 . . . . 428 GLU CA . 16733 1 58 . 1 1 9 9 GLU CB C 13 30.170 0.01 . 1 . . . . 428 GLU CB . 16733 1 59 . 1 1 9 9 GLU N N 15 121.770 0.01 . 1 . . . . 428 GLU N . 16733 1 60 . 1 1 10 10 ILE H H 1 8.506 0.001 . 1 . . . . 429 ILE H . 16733 1 61 . 1 1 10 10 ILE HA H 1 4.031 0.001 . 1 . . . . 429 ILE HA . 16733 1 62 . 1 1 10 10 ILE HB H 1 1.880 0.001 . 1 . . . . 429 ILE HB . 16733 1 63 . 1 1 10 10 ILE HD11 H 1 0.581 0.001 . 1 . . . . 429 ILE QD1 . 16733 1 64 . 1 1 10 10 ILE HD12 H 1 0.581 0.001 . 1 . . . . 429 ILE QD1 . 16733 1 65 . 1 1 10 10 ILE HD13 H 1 0.581 0.001 . 1 . . . . 429 ILE QD1 . 16733 1 66 . 1 1 10 10 ILE HG12 H 1 1.380 0.001 . 2 . . . . 429 ILE HG12 . 16733 1 67 . 1 1 10 10 ILE HG13 H 1 1.359 0.001 . 2 . . . . 429 ILE HG13 . 16733 1 68 . 1 1 10 10 ILE HG21 H 1 0.741 0.001 . 1 . . . . 429 ILE QG2 . 16733 1 69 . 1 1 10 10 ILE HG22 H 1 0.741 0.001 . 1 . . . . 429 ILE QG2 . 16733 1 70 . 1 1 10 10 ILE HG23 H 1 0.741 0.001 . 1 . . . . 429 ILE QG2 . 16733 1 71 . 1 1 10 10 ILE C C 13 174.770 0.01 . 1 . . . . 429 ILE C . 16733 1 72 . 1 1 10 10 ILE CA C 13 58.440 0.01 . 1 . . . . 429 ILE CA . 16733 1 73 . 1 1 10 10 ILE CB C 13 37.970 0.01 . 1 . . . . 429 ILE CB . 16733 1 74 . 1 1 10 10 ILE N N 15 127.930 0.01 . 1 . . . . 429 ILE N . 16733 1 75 . 1 1 11 11 PRO HA H 1 4.636 0.001 . 1 . . . . 430 PRO HA . 16733 1 76 . 1 1 11 11 PRO HB2 H 1 2.304 0.001 . 2 . . . . 430 PRO HB2 . 16733 1 77 . 1 1 11 11 PRO HB3 H 1 1.632 0.001 . 2 . . . . 430 PRO HB3 . 16733 1 78 . 1 1 11 11 PRO HD2 H 1 3.623 0.001 . 2 . . . . 430 PRO HD2 . 16733 1 79 . 1 1 11 11 PRO HD3 H 1 3.607 0.001 . 2 . . . . 430 PRO HD3 . 16733 1 80 . 1 1 11 11 PRO HG2 H 1 1.909 0.001 . 2 . . . . 430 PRO HG2 . 16733 1 81 . 1 1 11 11 PRO HG3 H 1 1.762 0.001 . 2 . . . . 430 PRO HG3 . 16733 1 82 . 1 1 11 11 PRO C C 13 175.660 0.01 . 1 . . . . 430 PRO C . 16733 1 83 . 1 1 11 11 PRO CA C 13 61.830 0.01 . 1 . . . . 430 PRO CA . 16733 1 84 . 1 1 11 11 PRO CB C 13 32.280 0.01 . 1 . . . . 430 PRO CB . 16733 1 85 . 1 1 12 12 ASP H H 1 8.767 0.001 . 1 . . . . 431 ASP H . 16733 1 86 . 1 1 12 12 ASP HA H 1 4.424 0.001 . 1 . . . . 431 ASP HA . 16733 1 87 . 1 1 12 12 ASP HB2 H 1 2.856 0.001 . 2 . . . . 431 ASP HB2 . 16733 1 88 . 1 1 12 12 ASP HB3 H 1 2.527 0.001 . 2 . . . . 431 ASP HB3 . 16733 1 89 . 1 1 12 12 ASP C C 13 176.990 0.01 . 1 . . . . 431 ASP C . 16733 1 90 . 1 1 12 12 ASP CA C 13 54.680 0.01 . 1 . . . . 431 ASP CA . 16733 1 91 . 1 1 12 12 ASP CB C 13 40.820 0.01 . 1 . . . . 431 ASP CB . 16733 1 92 . 1 1 12 12 ASP N N 15 118.770 0.01 . 1 . . . . 431 ASP N . 16733 1 93 . 1 1 13 13 VAL H H 1 7.773 0.001 . 1 . . . . 432 VAL H . 16733 1 94 . 1 1 13 13 VAL HA H 1 4.432 0.001 . 1 . . . . 432 VAL HA . 16733 1 95 . 1 1 13 13 VAL HB H 1 2.500 0.001 . 1 . . . . 432 VAL HB . 16733 1 96 . 1 1 13 13 VAL HG11 H 1 0.733 0.001 . 1 . . . . 432 VAL QG1 . 16733 1 97 . 1 1 13 13 VAL HG12 H 1 0.733 0.001 . 1 . . . . 432 VAL QG1 . 16733 1 98 . 1 1 13 13 VAL HG13 H 1 0.733 0.001 . 1 . . . . 432 VAL QG1 . 16733 1 99 . 1 1 13 13 VAL HG21 H 1 0.717 0.001 . 1 . . . . 432 VAL QG2 . 16733 1 100 . 1 1 13 13 VAL HG22 H 1 0.717 0.001 . 1 . . . . 432 VAL QG2 . 16733 1 101 . 1 1 13 13 VAL HG23 H 1 0.717 0.001 . 1 . . . . 432 VAL QG2 . 16733 1 102 . 1 1 13 13 VAL C C 13 174.090 0.01 . 1 . . . . 432 VAL C . 16733 1 103 . 1 1 13 13 VAL CA C 13 59.870 0.01 . 1 . . . . 432 VAL CA . 16733 1 104 . 1 1 13 13 VAL CB C 13 31.060 0.01 . 1 . . . . 432 VAL CB . 16733 1 105 . 1 1 13 13 VAL N N 15 119.820 0.01 . 1 . . . . 432 VAL N . 16733 1 106 . 1 1 14 14 SER H H 1 8.202 0.001 . 1 . . . . 433 SER H . 16733 1 107 . 1 1 14 14 SER HA H 1 3.854 0.001 . 1 . . . . 433 SER HA . 16733 1 108 . 1 1 14 14 SER HB2 H 1 3.693 0.001 . 2 . . . . 433 SER HB2 . 16733 1 109 . 1 1 14 14 SER HB3 H 1 3.622 0.001 . 2 . . . . 433 SER HB3 . 16733 1 110 . 1 1 14 14 SER C C 13 177.350 0.01 . 1 . . . . 433 SER C . 16733 1 111 . 1 1 14 14 SER CA C 13 59.680 0.01 . 1 . . . . 433 SER CA . 16733 1 112 . 1 1 14 14 SER CB C 13 63.830 0.01 . 1 . . . . 433 SER CB . 16733 1 113 . 1 1 14 14 SER N N 15 116.700 0.01 . 1 . . . . 433 SER N . 16733 1 114 . 1 1 15 15 THR H H 1 9.922 0.001 . 1 . . . . 434 THR H . 16733 1 115 . 1 1 15 15 THR HA H 1 3.680 0.001 . 1 . . . . 434 THR HA . 16733 1 116 . 1 1 15 15 THR HB H 1 4.277 0.001 . 1 . . . . 434 THR HB . 16733 1 117 . 1 1 15 15 THR HG21 H 1 1.180 0.001 . 1 . . . . 434 THR QG2 . 16733 1 118 . 1 1 15 15 THR HG22 H 1 1.180 0.001 . 1 . . . . 434 THR QG2 . 16733 1 119 . 1 1 15 15 THR HG23 H 1 1.180 0.001 . 1 . . . . 434 THR QG2 . 16733 1 120 . 1 1 15 15 THR C C 13 177.330 0.01 . 1 . . . . 434 THR C . 16733 1 121 . 1 1 15 15 THR CA C 13 66.530 0.01 . 1 . . . . 434 THR CA . 16733 1 122 . 1 1 15 15 THR CB C 13 69.520 0.01 . 1 . . . . 434 THR CB . 16733 1 123 . 1 1 15 15 THR N N 15 115.070 0.01 . 1 . . . . 434 THR N . 16733 1 124 . 1 1 16 16 LEU H H 1 7.161 0.001 . 1 . . . . 435 LEU H . 16733 1 125 . 1 1 16 16 LEU HA H 1 4.566 0.001 . 1 . . . . 435 LEU HA . 16733 1 126 . 1 1 16 16 LEU HB2 H 1 1.818 0.001 . 2 . . . . 435 LEU HB2 . 16733 1 127 . 1 1 16 16 LEU HB3 H 1 1.765 0.001 . 2 . . . . 435 LEU HB3 . 16733 1 128 . 1 1 16 16 LEU HD11 H 1 0.754 0.001 . 1 . . . . 435 LEU QD1 . 16733 1 129 . 1 1 16 16 LEU HD12 H 1 0.754 0.001 . 1 . . . . 435 LEU QD1 . 16733 1 130 . 1 1 16 16 LEU HD13 H 1 0.754 0.001 . 1 . . . . 435 LEU QD1 . 16733 1 131 . 1 1 16 16 LEU HD21 H 1 0.712 0.001 . 1 . . . . 435 LEU QD2 . 16733 1 132 . 1 1 16 16 LEU HD22 H 1 0.712 0.001 . 1 . . . . 435 LEU QD2 . 16733 1 133 . 1 1 16 16 LEU HD23 H 1 0.712 0.001 . 1 . . . . 435 LEU QD2 . 16733 1 134 . 1 1 16 16 LEU HG H 1 1.430 0.001 . 1 . . . . 435 LEU HG . 16733 1 135 . 1 1 16 16 LEU C C 13 177.330 0.01 . 1 . . . . 435 LEU C . 16733 1 136 . 1 1 16 16 LEU CA C 13 54.490 0.01 . 1 . . . . 435 LEU CA . 16733 1 137 . 1 1 16 16 LEU CB C 13 42.610 0.01 . 1 . . . . 435 LEU CB . 16733 1 138 . 1 1 16 16 LEU N N 15 121.100 0.01 . 1 . . . . 435 LEU N . 16733 1 139 . 1 1 17 17 THR H H 1 8.162 0.001 . 1 . . . . 436 THR H . 16733 1 140 . 1 1 17 17 THR HA H 1 4.602 0.001 . 1 . . . . 436 THR HA . 16733 1 141 . 1 1 17 17 THR HB H 1 4.080 0.001 . 1 . . . . 436 THR HB . 16733 1 142 . 1 1 17 17 THR HG21 H 1 1.377 0.001 . 1 . . . . 436 THR QG2 . 16733 1 143 . 1 1 17 17 THR HG22 H 1 1.377 0.001 . 1 . . . . 436 THR QG2 . 16733 1 144 . 1 1 17 17 THR HG23 H 1 1.377 0.001 . 1 . . . . 436 THR QG2 . 16733 1 145 . 1 1 17 17 THR C C 13 175.440 0.01 . 1 . . . . 436 THR C . 16733 1 146 . 1 1 17 17 THR CA C 13 61.940 0.01 . 1 . . . . 436 THR CA . 16733 1 147 . 1 1 17 17 THR CB C 13 70.980 0.01 . 1 . . . . 436 THR CB . 16733 1 148 . 1 1 17 17 THR N N 15 108.210 0.01 . 1 . . . . 436 THR N . 16733 1 149 . 1 1 18 18 TYR H H 1 9.305 0.001 . 1 . . . . 437 TYR H . 16733 1 150 . 1 1 18 18 TYR HA H 1 3.604 0.001 . 1 . . . . 437 TYR HA . 16733 1 151 . 1 1 18 18 TYR HB2 H 1 2.920 0.001 . 2 . . . . 437 TYR HB2 . 16733 1 152 . 1 1 18 18 TYR HB3 H 1 2.861 0.001 . 2 . . . . 437 TYR HB3 . 16733 1 153 . 1 1 18 18 TYR HD1 H 1 6.733 0.001 . 3 . . . . 437 TYR QD . 16733 1 154 . 1 1 18 18 TYR HD2 H 1 6.733 0.001 . 3 . . . . 437 TYR QD . 16733 1 155 . 1 1 18 18 TYR HE1 H 1 6.544 0.001 . 3 . . . . 437 TYR QE . 16733 1 156 . 1 1 18 18 TYR HE2 H 1 6.544 0.001 . 3 . . . . 437 TYR QE . 16733 1 157 . 1 1 18 18 TYR C C 13 176.590 0.01 . 1 . . . . 437 TYR C . 16733 1 158 . 1 1 18 18 TYR CA C 13 63.710 0.01 . 1 . . . . 437 TYR CA . 16733 1 159 . 1 1 18 18 TYR CB C 13 38.710 0.01 . 1 . . . . 437 TYR CB . 16733 1 160 . 1 1 18 18 TYR N N 15 122.100 0.01 . 1 . . . . 437 TYR N . 16733 1 161 . 1 1 19 19 ALA H H 1 8.739 0.001 . 1 . . . . 438 ALA H . 16733 1 162 . 1 1 19 19 ALA HA H 1 3.858 0.001 . 1 . . . . 438 ALA HA . 16733 1 163 . 1 1 19 19 ALA HB1 H 1 1.419 0.001 . 1 . . . . 438 ALA QB . 16733 1 164 . 1 1 19 19 ALA HB2 H 1 1.419 0.001 . 1 . . . . 438 ALA QB . 16733 1 165 . 1 1 19 19 ALA HB3 H 1 1.419 0.001 . 1 . . . . 438 ALA QB . 16733 1 166 . 1 1 19 19 ALA C C 13 181.700 0.01 . 1 . . . . 438 ALA C . 16733 1 167 . 1 1 19 19 ALA CA C 13 55.170 0.01 . 1 . . . . 438 ALA CA . 16733 1 168 . 1 1 19 19 ALA CB C 13 18.710 0.01 . 1 . . . . 438 ALA CB . 16733 1 169 . 1 1 19 19 ALA N N 15 117.770 0.01 . 1 . . . . 438 ALA N . 16733 1 170 . 1 1 20 20 GLU H H 1 7.603 0.001 . 1 . . . . 439 GLU H . 16733 1 171 . 1 1 20 20 GLU HA H 1 3.911 0.001 . 1 . . . . 439 GLU HA . 16733 1 172 . 1 1 20 20 GLU HB2 H 1 2.016 0.001 . 2 . . . . 439 GLU HB2 . 16733 1 173 . 1 1 20 20 GLU HB3 H 1 1.901 0.001 . 2 . . . . 439 GLU HB3 . 16733 1 174 . 1 1 20 20 GLU HG2 H 1 2.398 0.001 . 2 . . . . 439 GLU HG2 . 16733 1 175 . 1 1 20 20 GLU HG3 H 1 2.244 0.001 . 2 . . . . 439 GLU HG3 . 16733 1 176 . 1 1 20 20 GLU C C 13 179.250 0.01 . 1 . . . . 439 GLU C . 16733 1 177 . 1 1 20 20 GLU CA C 13 58.630 0.01 . 1 . . . . 439 GLU CA . 16733 1 178 . 1 1 20 20 GLU CB C 13 30.660 0.01 . 1 . . . . 439 GLU CB . 16733 1 179 . 1 1 20 20 GLU N N 15 118.040 0.01 . 1 . . . . 439 GLU N . 16733 1 180 . 1 1 21 21 ALA H H 1 8.845 0.001 . 1 . . . . 440 ALA H . 16733 1 181 . 1 1 21 21 ALA HA H 1 3.823 0.001 . 1 . . . . 440 ALA HA . 16733 1 182 . 1 1 21 21 ALA HB1 H 1 1.305 0.001 . 1 . . . . 440 ALA QB . 16733 1 183 . 1 1 21 21 ALA HB2 H 1 1.305 0.001 . 1 . . . . 440 ALA QB . 16733 1 184 . 1 1 21 21 ALA HB3 H 1 1.305 0.001 . 1 . . . . 440 ALA QB . 16733 1 185 . 1 1 21 21 ALA C C 13 179.030 0.01 . 1 . . . . 440 ALA C . 16733 1 186 . 1 1 21 21 ALA CA C 13 55.540 0.01 . 1 . . . . 440 ALA CA . 16733 1 187 . 1 1 21 21 ALA CB C 13 18.710 0.01 . 1 . . . . 440 ALA CB . 16733 1 188 . 1 1 21 21 ALA N N 15 125.330 0.01 . 1 . . . . 440 ALA N . 16733 1 189 . 1 1 22 22 VAL H H 1 8.286 0.001 . 1 . . . . 441 VAL H . 16733 1 190 . 1 1 22 22 VAL HA H 1 2.486 0.001 . 1 . . . . 441 VAL HA . 16733 1 191 . 1 1 22 22 VAL HB H 1 1.633 0.001 . 1 . . . . 441 VAL HB . 16733 1 192 . 1 1 22 22 VAL HG11 H 1 0.462 0.001 . 1 . . . . 441 VAL QG1 . 16733 1 193 . 1 1 22 22 VAL HG12 H 1 0.462 0.001 . 1 . . . . 441 VAL QG1 . 16733 1 194 . 1 1 22 22 VAL HG13 H 1 0.462 0.001 . 1 . . . . 441 VAL QG1 . 16733 1 195 . 1 1 22 22 VAL HG21 H 1 -0.030 0.001 . 1 . . . . 441 VAL QG2 . 16733 1 196 . 1 1 22 22 VAL HG22 H 1 -0.030 0.001 . 1 . . . . 441 VAL QG2 . 16733 1 197 . 1 1 22 22 VAL HG23 H 1 -0.030 0.001 . 1 . . . . 441 VAL QG2 . 16733 1 198 . 1 1 22 22 VAL C C 13 179.650 0.01 . 1 . . . . 441 VAL C . 16733 1 199 . 1 1 22 22 VAL CA C 13 66.950 0.01 . 1 . . . . 441 VAL CA . 16733 1 200 . 1 1 22 22 VAL CB C 13 31.710 0.01 . 1 . . . . 441 VAL CB . 16733 1 201 . 1 1 22 22 VAL N N 15 118.600 0.01 . 1 . . . . 441 VAL N . 16733 1 202 . 1 1 23 23 LYS H H 1 7.486 0.001 . 1 . . . . 442 LYS H . 16733 1 203 . 1 1 23 23 LYS HA H 1 3.901 0.001 . 1 . . . . 442 LYS HA . 16733 1 204 . 1 1 23 23 LYS HB2 H 1 1.884 0.001 . 2 . . . . 442 LYS HB2 . 16733 1 205 . 1 1 23 23 LYS HB3 H 1 1.839 0.001 . 2 . . . . 442 LYS HB3 . 16733 1 206 . 1 1 23 23 LYS HD2 H 1 1.633 0.001 . 2 . . . . 442 LYS HD2 . 16733 1 207 . 1 1 23 23 LYS HE2 H 1 2.980 0.001 . 2 . . . . 442 LYS HE2 . 16733 1 208 . 1 1 23 23 LYS HG2 H 1 1.525 0.001 . 2 . . . . 442 LYS HG2 . 16733 1 209 . 1 1 23 23 LYS HG3 H 1 1.355 0.001 . 2 . . . . 442 LYS HG3 . 16733 1 210 . 1 1 23 23 LYS C C 13 179.220 0.01 . 1 . . . . 442 LYS C . 16733 1 211 . 1 1 23 23 LYS CA C 13 60.550 0.01 . 1 . . . . 442 LYS CA . 16733 1 212 . 1 1 23 23 LYS CB C 13 32.440 0.01 . 1 . . . . 442 LYS CB . 16733 1 213 . 1 1 23 23 LYS N N 15 122.100 0.01 . 1 . . . . 442 LYS N . 16733 1 214 . 1 1 24 24 LYS H H 1 7.781 0.001 . 1 . . . . 443 LYS H . 16733 1 215 . 1 1 24 24 LYS HA H 1 4.102 0.001 . 1 . . . . 443 LYS HA . 16733 1 216 . 1 1 24 24 LYS HB2 H 1 1.830 0.001 . 2 . . . . 443 LYS HB2 . 16733 1 217 . 1 1 24 24 LYS HB3 H 1 1.673 0.001 . 2 . . . . 443 LYS HB3 . 16733 1 218 . 1 1 24 24 LYS HD2 H 1 1.548 0.001 . 2 . . . . 443 LYS HD2 . 16733 1 219 . 1 1 24 24 LYS HE2 H 1 2.980 0.001 . 2 . . . . 443 LYS HE2 . 16733 1 220 . 1 1 24 24 LYS HG2 H 1 1.440 0.001 . 2 . . . . 443 LYS HG2 . 16733 1 221 . 1 1 24 24 LYS HG3 H 1 1.260 0.001 . 2 . . . . 443 LYS HG3 . 16733 1 222 . 1 1 24 24 LYS C C 13 179.960 0.01 . 1 . . . . 443 LYS C . 16733 1 223 . 1 1 24 24 LYS CA C 13 59.490 0.01 . 1 . . . . 443 LYS CA . 16733 1 224 . 1 1 24 24 LYS CB C 13 32.770 0.01 . 1 . . . . 443 LYS CB . 16733 1 225 . 1 1 24 24 LYS N N 15 120.920 0.01 . 1 . . . . 443 LYS N . 16733 1 226 . 1 1 25 25 LEU H H 1 8.793 0.001 . 1 . . . . 444 LEU H . 16733 1 227 . 1 1 25 25 LEU HA H 1 4.004 0.001 . 1 . . . . 444 LEU HA . 16733 1 228 . 1 1 25 25 LEU HB2 H 1 1.743 0.001 . 2 . . . . 444 LEU HB2 . 16733 1 229 . 1 1 25 25 LEU HB3 H 1 1.603 0.001 . 2 . . . . 444 LEU HB3 . 16733 1 230 . 1 1 25 25 LEU HD11 H 1 0.745 0.001 . 1 . . . . 444 LEU QD1 . 16733 1 231 . 1 1 25 25 LEU HD12 H 1 0.745 0.001 . 1 . . . . 444 LEU QD1 . 16733 1 232 . 1 1 25 25 LEU HD13 H 1 0.745 0.001 . 1 . . . . 444 LEU QD1 . 16733 1 233 . 1 1 25 25 LEU HD21 H 1 0.553 0.001 . 1 . . . . 444 LEU QD2 . 16733 1 234 . 1 1 25 25 LEU HD22 H 1 0.553 0.001 . 1 . . . . 444 LEU QD2 . 16733 1 235 . 1 1 25 25 LEU HD23 H 1 0.553 0.001 . 1 . . . . 444 LEU QD2 . 16733 1 236 . 1 1 25 25 LEU HG H 1 1.396 0.001 . 1 . . . . 444 LEU HG . 16733 1 237 . 1 1 25 25 LEU C C 13 179.250 0.01 . 1 . . . . 444 LEU C . 16733 1 238 . 1 1 25 25 LEU CA C 13 58.780 0.01 . 1 . . . . 444 LEU CA . 16733 1 239 . 1 1 25 25 LEU CB C 13 42.850 0.01 . 1 . . . . 444 LEU CB . 16733 1 240 . 1 1 25 25 LEU N N 15 120.580 0.01 . 1 . . . . 444 LEU N . 16733 1 241 . 1 1 26 26 THR H H 1 8.644 0.001 . 1 . . . . 445 THR H . 16733 1 242 . 1 1 26 26 THR HA H 1 5.016 0.001 . 1 . . . . 445 THR HA . 16733 1 243 . 1 1 26 26 THR HB H 1 4.328 0.001 . 1 . . . . 445 THR HB . 16733 1 244 . 1 1 26 26 THR HG21 H 1 1.360 0.001 . 1 . . . . 445 THR QG2 . 16733 1 245 . 1 1 26 26 THR HG22 H 1 1.360 0.001 . 1 . . . . 445 THR QG2 . 16733 1 246 . 1 1 26 26 THR HG23 H 1 1.360 0.001 . 1 . . . . 445 THR QG2 . 16733 1 247 . 1 1 26 26 THR C C 13 179.180 0.01 . 1 . . . . 445 THR C . 16733 1 248 . 1 1 26 26 THR CA C 13 65.890 0.01 . 1 . . . . 445 THR CA . 16733 1 249 . 1 1 26 26 THR CB C 13 69.110 0.01 . 1 . . . . 445 THR CB . 16733 1 250 . 1 1 26 26 THR N N 15 118.130 0.01 . 1 . . . . 445 THR N . 16733 1 251 . 1 1 27 27 ALA H H 1 7.933 0.001 . 1 . . . . 446 ALA H . 16733 1 252 . 1 1 27 27 ALA HA H 1 4.191 0.001 . 1 . . . . 446 ALA HA . 16733 1 253 . 1 1 27 27 ALA HB1 H 1 1.531 0.001 . 1 . . . . 446 ALA QB . 16733 1 254 . 1 1 27 27 ALA HB2 H 1 1.531 0.001 . 1 . . . . 446 ALA QB . 16733 1 255 . 1 1 27 27 ALA HB3 H 1 1.531 0.001 . 1 . . . . 446 ALA QB . 16733 1 256 . 1 1 27 27 ALA C C 13 178.870 0.01 . 1 . . . . 446 ALA C . 16733 1 257 . 1 1 27 27 ALA CA C 13 54.980 0.01 . 1 . . . . 446 ALA CA . 16733 1 258 . 1 1 27 27 ALA CB C 13 17.890 0.01 . 1 . . . . 446 ALA CB . 16733 1 259 . 1 1 27 27 ALA N N 15 126.270 0.01 . 1 . . . . 446 ALA N . 16733 1 260 . 1 1 28 28 ALA H H 1 7.379 0.001 . 1 . . . . 447 ALA H . 16733 1 261 . 1 1 28 28 ALA HA H 1 4.445 0.001 . 1 . . . . 447 ALA HA . 16733 1 262 . 1 1 28 28 ALA HB1 H 1 1.805 0.001 . 1 . . . . 447 ALA QB . 16733 1 263 . 1 1 28 28 ALA HB2 H 1 1.805 0.001 . 1 . . . . 447 ALA QB . 16733 1 264 . 1 1 28 28 ALA HB3 H 1 1.805 0.001 . 1 . . . . 447 ALA QB . 16733 1 265 . 1 1 28 28 ALA C C 13 176.710 0.01 . 1 . . . . 447 ALA C . 16733 1 266 . 1 1 28 28 ALA CA C 13 52.610 0.01 . 1 . . . . 447 ALA CA . 16733 1 267 . 1 1 28 28 ALA CB C 13 19.190 0.01 . 1 . . . . 447 ALA CB . 16733 1 268 . 1 1 28 28 ALA N N 15 118.170 0.01 . 1 . . . . 447 ALA N . 16733 1 269 . 1 1 29 29 GLY H H 1 7.710 0.001 . 1 . . . . 448 GLY H . 16733 1 270 . 1 1 29 29 GLY HA2 H 1 4.168 0.001 . 2 . . . . 448 GLY HA2 . 16733 1 271 . 1 1 29 29 GLY HA3 H 1 3.536 0.001 . 2 . . . . 448 GLY HA3 . 16733 1 272 . 1 1 29 29 GLY C C 13 173.820 0.01 . 1 . . . . 448 GLY C . 16733 1 273 . 1 1 29 29 GLY CA C 13 44.510 0.01 . 1 . . . . 448 GLY CA . 16733 1 274 . 1 1 29 29 GLY N N 15 103.720 0.01 . 1 . . . . 448 GLY N . 16733 1 275 . 1 1 30 30 PHE H H 1 7.909 0.001 . 1 . . . . 449 PHE H . 16733 1 276 . 1 1 30 30 PHE HA H 1 4.365 0.001 . 1 . . . . 449 PHE HA . 16733 1 277 . 1 1 30 30 PHE HB2 H 1 2.779 0.001 . 2 . . . . 449 PHE HB2 . 16733 1 278 . 1 1 30 30 PHE HB3 H 1 2.751 0.001 . 2 . . . . 449 PHE HB3 . 16733 1 279 . 1 1 30 30 PHE HD1 H 1 7.434 0.001 . 3 . . . . 449 PHE QD . 16733 1 280 . 1 1 30 30 PHE HD2 H 1 7.434 0.001 . 3 . . . . 449 PHE QD . 16733 1 281 . 1 1 30 30 PHE HE1 H 1 7.023 0.001 . 3 . . . . 449 PHE QE . 16733 1 282 . 1 1 30 30 PHE HE2 H 1 7.023 0.001 . 3 . . . . 449 PHE QE . 16733 1 283 . 1 1 30 30 PHE HZ H 1 7.173 0.001 . 1 . . . . 449 PHE HZ . 16733 1 284 . 1 1 30 30 PHE C C 13 174.770 0.01 . 1 . . . . 449 PHE C . 16733 1 285 . 1 1 30 30 PHE CA C 13 59.680 0.01 . 1 . . . . 449 PHE CA . 16733 1 286 . 1 1 30 30 PHE CB C 13 39.680 0.01 . 1 . . . . 449 PHE CB . 16733 1 287 . 1 1 30 30 PHE N N 15 119.740 0.01 . 1 . . . . 449 PHE N . 16733 1 288 . 1 1 31 31 GLY H H 1 7.836 0.001 . 1 . . . . 450 GLY H . 16733 1 289 . 1 1 31 31 GLY HA2 H 1 4.470 0.001 . 2 . . . . 450 GLY HA2 . 16733 1 290 . 1 1 31 31 GLY HA3 H 1 3.610 0.001 . 2 . . . . 450 GLY HA3 . 16733 1 291 . 1 1 31 31 GLY C C 13 172.640 0.01 . 1 . . . . 450 GLY C . 16733 1 292 . 1 1 31 31 GLY CA C 13 45.940 0.01 . 1 . . . . 450 GLY CA . 16733 1 293 . 1 1 31 31 GLY N N 15 104.430 0.01 . 1 . . . . 450 GLY N . 16733 1 294 . 1 1 32 32 ARG H H 1 7.731 0.001 . 1 . . . . 451 ARG H . 16733 1 295 . 1 1 32 32 ARG HA H 1 4.351 0.001 . 1 . . . . 451 ARG HA . 16733 1 296 . 1 1 32 32 ARG HB2 H 1 1.396 0.001 . 2 . . . . 451 ARG HB2 . 16733 1 297 . 1 1 32 32 ARG HB3 H 1 0.836 0.001 . 2 . . . . 451 ARG HB3 . 16733 1 298 . 1 1 32 32 ARG HD2 H 1 3.096 0.001 . 2 . . . . 451 ARG HD2 . 16733 1 299 . 1 1 32 32 ARG HD3 H 1 2.967 0.001 . 2 . . . . 451 ARG HD3 . 16733 1 300 . 1 1 32 32 ARG HE H 1 7.061 0.001 . 1 . . . . 451 ARG HE . 16733 1 301 . 1 1 32 32 ARG HG2 H 1 1.574 0.001 . 2 . . . . 451 ARG HG2 . 16733 1 302 . 1 1 32 32 ARG HG3 H 1 1.532 0.001 . 2 . . . . 451 ARG HG3 . 16733 1 303 . 1 1 32 32 ARG C C 13 173.210 0.01 . 1 . . . . 451 ARG C . 16733 1 304 . 1 1 32 32 ARG CA C 13 55.130 0.01 . 1 . . . . 451 ARG CA . 16733 1 305 . 1 1 32 32 ARG CB C 13 32.770 0.01 . 1 . . . . 451 ARG CB . 16733 1 306 . 1 1 32 32 ARG N N 15 123.020 0.01 . 1 . . . . 451 ARG N . 16733 1 307 . 1 1 32 32 ARG NE N 15 84.790 0.01 . 1 . . . . 451 ARG NE . 16733 1 308 . 1 1 33 33 PHE H H 1 8.295 0.001 . 1 . . . . 452 PHE H . 16733 1 309 . 1 1 33 33 PHE HA H 1 5.892 0.001 . 1 . . . . 452 PHE HA . 16733 1 310 . 1 1 33 33 PHE HB2 H 1 3.180 0.001 . 2 . . . . 452 PHE HB2 . 16733 1 311 . 1 1 33 33 PHE HB3 H 1 2.676 0.001 . 2 . . . . 452 PHE HB3 . 16733 1 312 . 1 1 33 33 PHE HD1 H 1 7.178 0.001 . 3 . . . . 452 PHE QD . 16733 1 313 . 1 1 33 33 PHE HD2 H 1 7.178 0.001 . 3 . . . . 452 PHE QD . 16733 1 314 . 1 1 33 33 PHE HE1 H 1 7.010 0.001 . 3 . . . . 452 PHE QE . 16733 1 315 . 1 1 33 33 PHE HE2 H 1 7.010 0.001 . 3 . . . . 452 PHE QE . 16733 1 316 . 1 1 33 33 PHE HZ H 1 6.893 0.001 . 1 . . . . 452 PHE HZ . 16733 1 317 . 1 1 33 33 PHE C C 13 175.720 0.01 . 1 . . . . 452 PHE C . 16733 1 318 . 1 1 33 33 PHE CA C 13 55.690 0.01 . 1 . . . . 452 PHE CA . 16733 1 319 . 1 1 33 33 PHE CB C 13 43.750 0.01 . 1 . . . . 452 PHE CB . 16733 1 320 . 1 1 33 33 PHE N N 15 121.590 0.01 . 1 . . . . 452 PHE N . 16733 1 321 . 1 1 34 34 LYS H H 1 8.237 0.001 . 1 . . . . 453 LYS H . 16733 1 322 . 1 1 34 34 LYS HA H 1 4.590 0.001 . 1 . . . . 453 LYS HA . 16733 1 323 . 1 1 34 34 LYS HB2 H 1 1.735 0.001 . 2 . . . . 453 LYS HB2 . 16733 1 324 . 1 1 34 34 LYS HB3 H 1 1.640 0.001 . 2 . . . . 453 LYS HB3 . 16733 1 325 . 1 1 34 34 LYS HD2 H 1 1.538 0.001 . 2 . . . . 453 LYS HD2 . 16733 1 326 . 1 1 34 34 LYS HE2 H 1 2.980 0.001 . 2 . . . . 453 LYS HE2 . 16733 1 327 . 1 1 34 34 LYS HG2 H 1 1.357 0.001 . 2 . . . . 453 LYS HG2 . 16733 1 328 . 1 1 34 34 LYS HG3 H 1 1.316 0.001 . 2 . . . . 453 LYS HG3 . 16733 1 329 . 1 1 34 34 LYS C C 13 173.500 0.01 . 1 . . . . 453 LYS C . 16733 1 330 . 1 1 34 34 LYS CA C 13 55.540 0.01 . 1 . . . . 453 LYS CA . 16733 1 331 . 1 1 34 34 LYS CB C 13 37.000 0.01 . 1 . . . . 453 LYS CB . 16733 1 332 . 1 1 34 34 LYS N N 15 121.090 0.01 . 1 . . . . 453 LYS N . 16733 1 333 . 1 1 35 35 GLN H H 1 8.828 0.001 . 1 . . . . 454 GLN H . 16733 1 334 . 1 1 35 35 GLN HA H 1 5.139 0.001 . 1 . . . . 454 GLN HA . 16733 1 335 . 1 1 35 35 GLN HB2 H 1 1.755 0.001 . 2 . . . . 454 GLN HB2 . 16733 1 336 . 1 1 35 35 GLN HB3 H 1 1.671 0.001 . 2 . . . . 454 GLN HB3 . 16733 1 337 . 1 1 35 35 GLN HE21 H 1 6.841 0.001 . 2 . . . . 454 GLN HE21 . 16733 1 338 . 1 1 35 35 GLN HE22 H 1 6.428 0.001 . 2 . . . . 454 GLN HE22 . 16733 1 339 . 1 1 35 35 GLN HG2 H 1 2.070 0.001 . 2 . . . . 454 GLN HG2 . 16733 1 340 . 1 1 35 35 GLN HG3 H 1 1.977 0.001 . 2 . . . . 454 GLN HG3 . 16733 1 341 . 1 1 35 35 GLN C C 13 175.320 0.01 . 1 . . . . 454 GLN C . 16733 1 342 . 1 1 35 35 GLN CA C 13 55.770 0.01 . 1 . . . . 454 GLN CA . 16733 1 343 . 1 1 35 35 GLN CB C 13 30.010 0.01 . 1 . . . . 454 GLN CB . 16733 1 344 . 1 1 35 35 GLN N N 15 125.310 0.01 . 1 . . . . 454 GLN N . 16733 1 345 . 1 1 35 35 GLN NE2 N 15 109.940 0.01 . 1 . . . . 454 GLN NE2 . 16733 1 346 . 1 1 36 36 ALA H H 1 8.982 0.001 . 1 . . . . 455 ALA H . 16733 1 347 . 1 1 36 36 ALA HA H 1 4.667 0.001 . 1 . . . . 455 ALA HA . 16733 1 348 . 1 1 36 36 ALA HB1 H 1 1.265 0.001 . 1 . . . . 455 ALA QB . 16733 1 349 . 1 1 36 36 ALA HB2 H 1 1.265 0.001 . 1 . . . . 455 ALA QB . 16733 1 350 . 1 1 36 36 ALA HB3 H 1 1.265 0.001 . 1 . . . . 455 ALA QB . 16733 1 351 . 1 1 36 36 ALA C C 13 174.960 0.01 . 1 . . . . 455 ALA C . 16733 1 352 . 1 1 36 36 ALA CA C 13 50.720 0.01 . 1 . . . . 455 ALA CA . 16733 1 353 . 1 1 36 36 ALA CB C 13 22.930 0.01 . 1 . . . . 455 ALA CB . 16733 1 354 . 1 1 36 36 ALA N N 15 130.430 0.01 . 1 . . . . 455 ALA N . 16733 1 355 . 1 1 37 37 ASN H H 1 8.701 0.001 . 1 . . . . 456 ASN H . 16733 1 356 . 1 1 37 37 ASN HA H 1 5.991 0.001 . 1 . . . . 456 ASN HA . 16733 1 357 . 1 1 37 37 ASN HB2 H 1 2.551 0.001 . 2 . . . . 456 ASN HB2 . 16733 1 358 . 1 1 37 37 ASN HB3 H 1 2.539 0.001 . 2 . . . . 456 ASN HB3 . 16733 1 359 . 1 1 37 37 ASN HD21 H 1 7.389 0.001 . 2 . . . . 456 ASN HD21 . 16733 1 360 . 1 1 37 37 ASN HD22 H 1 7.001 0.001 . 2 . . . . 456 ASN HD22 . 16733 1 361 . 1 1 37 37 ASN C C 13 175.210 0.01 . 1 . . . . 456 ASN C . 16733 1 362 . 1 1 37 37 ASN CA C 13 52.490 0.01 . 1 . . . . 456 ASN CA . 16733 1 363 . 1 1 37 37 ASN CB C 13 42.280 0.01 . 1 . . . . 456 ASN CB . 16733 1 364 . 1 1 37 37 ASN N N 15 118.330 0.01 . 1 . . . . 456 ASN N . 16733 1 365 . 1 1 37 37 ASN ND2 N 15 113.360 0.01 . 1 . . . . 456 ASN ND2 . 16733 1 366 . 1 1 38 38 SER H H 1 8.281 0.001 . 1 . . . . 457 SER H . 16733 1 367 . 1 1 38 38 SER HA H 1 4.966 0.001 . 1 . . . . 457 SER HA . 16733 1 368 . 1 1 38 38 SER HB2 H 1 3.488 0.001 . 2 . . . . 457 SER HB2 . 16733 1 369 . 1 1 38 38 SER HB3 H 1 3.474 0.001 . 2 . . . . 457 SER HB3 . 16733 1 370 . 1 1 38 38 SER C C 13 171.390 0.01 . 1 . . . . 457 SER C . 16733 1 371 . 1 1 38 38 SER CA C 13 55.690 0.01 . 1 . . . . 457 SER CA . 16733 1 372 . 1 1 38 38 SER CB C 13 67.080 0.01 . 1 . . . . 457 SER CB . 16733 1 373 . 1 1 38 38 SER N N 15 116.810 0.01 . 1 . . . . 457 SER N . 16733 1 374 . 1 1 39 39 PRO HA H 1 4.757 0.001 . 1 . . . . 458 PRO HA . 16733 1 375 . 1 1 39 39 PRO HB2 H 1 2.337 0.001 . 2 . . . . 458 PRO HB2 . 16733 1 376 . 1 1 39 39 PRO HB3 H 1 1.825 0.001 . 2 . . . . 458 PRO HB3 . 16733 1 377 . 1 1 39 39 PRO HD2 H 1 3.880 0.001 . 2 . . . . 458 PRO HD2 . 16733 1 378 . 1 1 39 39 PRO HD3 H 1 3.832 0.001 . 2 . . . . 458 PRO HD3 . 16733 1 379 . 1 1 39 39 PRO HG2 H 1 2.057 0.001 . 2 . . . . 458 PRO HG2 . 16733 1 380 . 1 1 39 39 PRO HG3 H 1 2.043 0.001 . 2 . . . . 458 PRO HG3 . 16733 1 381 . 1 1 39 39 PRO C C 13 175.700 0.01 . 1 . . . . 458 PRO C . 16733 1 382 . 1 1 39 39 PRO CA C 13 63.780 0.01 . 1 . . . . 458 PRO CA . 16733 1 383 . 1 1 39 39 PRO CB C 13 32.360 0.01 . 1 . . . . 458 PRO CB . 16733 1 384 . 1 1 40 40 SER H H 1 8.185 0.001 . 1 . . . . 459 SER H . 16733 1 385 . 1 1 40 40 SER HA H 1 3.382 0.001 . 1 . . . . 459 SER HA . 16733 1 386 . 1 1 40 40 SER HB2 H 1 3.880 0.001 . 2 . . . . 459 SER HB2 . 16733 1 387 . 1 1 40 40 SER HB3 H 1 3.780 0.001 . 2 . . . . 459 SER HB3 . 16733 1 388 . 1 1 40 40 SER C C 13 174.140 0.01 . 1 . . . . 459 SER C . 16733 1 389 . 1 1 40 40 SER CA C 13 57.420 0.01 . 1 . . . . 459 SER CA . 16733 1 390 . 1 1 40 40 SER CB C 13 69.920 0.01 . 1 . . . . 459 SER CB . 16733 1 391 . 1 1 40 40 SER N N 15 115.920 0.01 . 1 . . . . 459 SER N . 16733 1 392 . 1 1 41 41 THR H H 1 8.082 0.001 . 1 . . . . 460 THR H . 16733 1 393 . 1 1 41 41 THR HA H 1 4.607 0.001 . 1 . . . . 460 THR HA . 16733 1 394 . 1 1 41 41 THR HB H 1 4.080 0.001 . 1 . . . . 460 THR HB . 16733 1 395 . 1 1 41 41 THR HG21 H 1 1.357 0.001 . 1 . . . . 460 THR QG2 . 16733 1 396 . 1 1 41 41 THR HG22 H 1 1.357 0.001 . 1 . . . . 460 THR QG2 . 16733 1 397 . 1 1 41 41 THR HG23 H 1 1.357 0.001 . 1 . . . . 460 THR QG2 . 16733 1 398 . 1 1 41 41 THR C C 13 176.270 0.01 . 1 . . . . 460 THR C . 16733 1 399 . 1 1 41 41 THR CA C 13 60.850 0.01 . 1 . . . . 460 THR CA . 16733 1 400 . 1 1 41 41 THR CB C 13 67.730 0.01 . 1 . . . . 460 THR CB . 16733 1 401 . 1 1 41 41 THR N N 15 110.330 0.01 . 1 . . . . 460 THR N . 16733 1 402 . 1 1 42 42 PRO HA H 1 3.920 0.001 . 1 . . . . 461 PRO HA . 16733 1 403 . 1 1 42 42 PRO HB2 H 1 2.380 0.001 . 2 . . . . 461 PRO HB2 . 16733 1 404 . 1 1 42 42 PRO HB3 H 1 1.880 0.001 . 2 . . . . 461 PRO HB3 . 16733 1 405 . 1 1 42 42 PRO HD2 H 1 3.690 0.001 . 2 . . . . 461 PRO HD2 . 16733 1 406 . 1 1 42 42 PRO HD3 H 1 3.671 0.001 . 2 . . . . 461 PRO HD3 . 16733 1 407 . 1 1 42 42 PRO HG2 H 1 2.280 0.001 . 2 . . . . 461 PRO HG2 . 16733 1 408 . 1 1 42 42 PRO HG3 H 1 2.180 0.001 . 2 . . . . 461 PRO HG3 . 16733 1 409 . 1 1 42 42 PRO C C 13 179.140 0.01 . 1 . . . . 461 PRO C . 16733 1 410 . 1 1 42 42 PRO CA C 13 65.890 0.01 . 1 . . . . 461 PRO CA . 16733 1 411 . 1 1 42 42 PRO CB C 13 32.120 0.01 . 1 . . . . 461 PRO CB . 16733 1 412 . 1 1 43 43 GLU H H 1 9.026 0.001 . 1 . . . . 462 GLU H . 16733 1 413 . 1 1 43 43 GLU HA H 1 4.107 0.001 . 1 . . . . 462 GLU HA . 16733 1 414 . 1 1 43 43 GLU HB2 H 1 2.016 0.001 . 2 . . . . 462 GLU HB2 . 16733 1 415 . 1 1 43 43 GLU HB3 H 1 1.937 0.001 . 2 . . . . 462 GLU HB3 . 16733 1 416 . 1 1 43 43 GLU HG2 H 1 2.397 0.001 . 2 . . . . 462 GLU HG2 . 16733 1 417 . 1 1 43 43 GLU HG3 H 1 2.293 0.001 . 2 . . . . 462 GLU HG3 . 16733 1 418 . 1 1 43 43 GLU C C 13 177.430 0.01 . 1 . . . . 462 GLU C . 16733 1 419 . 1 1 43 43 GLU CA C 13 59.310 0.01 . 1 . . . . 462 GLU CA . 16733 1 420 . 1 1 43 43 GLU CB C 13 28.460 0.01 . 1 . . . . 462 GLU CB . 16733 1 421 . 1 1 43 43 GLU N N 15 115.730 0.01 . 1 . . . . 462 GLU N . 16733 1 422 . 1 1 44 44 LEU H H 1 7.221 0.001 . 1 . . . . 463 LEU H . 16733 1 423 . 1 1 44 44 LEU HA H 1 4.289 0.001 . 1 . . . . 463 LEU HA . 16733 1 424 . 1 1 44 44 LEU HB2 H 1 1.833 0.001 . 2 . . . . 463 LEU HB2 . 16733 1 425 . 1 1 44 44 LEU HB3 H 1 1.461 0.001 . 2 . . . . 463 LEU HB3 . 16733 1 426 . 1 1 44 44 LEU HD11 H 1 0.946 0.001 . 1 . . . . 463 LEU QD1 . 16733 1 427 . 1 1 44 44 LEU HD12 H 1 0.946 0.001 . 1 . . . . 463 LEU QD1 . 16733 1 428 . 1 1 44 44 LEU HD13 H 1 0.946 0.001 . 1 . . . . 463 LEU QD1 . 16733 1 429 . 1 1 44 44 LEU HD21 H 1 0.757 0.001 . 1 . . . . 463 LEU QD2 . 16733 1 430 . 1 1 44 44 LEU HD22 H 1 0.757 0.001 . 1 . . . . 463 LEU QD2 . 16733 1 431 . 1 1 44 44 LEU HD23 H 1 0.757 0.001 . 1 . . . . 463 LEU QD2 . 16733 1 432 . 1 1 44 44 LEU HG H 1 1.387 0.001 . 1 . . . . 463 LEU HG . 16733 1 433 . 1 1 44 44 LEU C C 13 175.800 0.01 . 1 . . . . 463 LEU C . 16733 1 434 . 1 1 44 44 LEU CA C 13 53.960 0.01 . 1 . . . . 463 LEU CA . 16733 1 435 . 1 1 44 44 LEU CB C 13 42.610 0.01 . 1 . . . . 463 LEU CB . 16733 1 436 . 1 1 44 44 LEU N N 15 119.840 0.01 . 1 . . . . 463 LEU N . 16733 1 437 . 1 1 45 45 VAL H H 1 7.020 0.001 . 1 . . . . 464 VAL H . 16733 1 438 . 1 1 45 45 VAL HA H 1 3.251 0.001 . 1 . . . . 464 VAL HA . 16733 1 439 . 1 1 45 45 VAL HB H 1 1.867 0.001 . 1 . . . . 464 VAL HB . 16733 1 440 . 1 1 45 45 VAL HG11 H 1 0.906 0.001 . 1 . . . . 464 VAL QG1 . 16733 1 441 . 1 1 45 45 VAL HG12 H 1 0.906 0.001 . 1 . . . . 464 VAL QG1 . 16733 1 442 . 1 1 45 45 VAL HG13 H 1 0.906 0.001 . 1 . . . . 464 VAL QG1 . 16733 1 443 . 1 1 45 45 VAL HG21 H 1 0.830 0.001 . 1 . . . . 464 VAL QG2 . 16733 1 444 . 1 1 45 45 VAL HG22 H 1 0.830 0.001 . 1 . . . . 464 VAL QG2 . 16733 1 445 . 1 1 45 45 VAL HG23 H 1 0.830 0.001 . 1 . . . . 464 VAL QG2 . 16733 1 446 . 1 1 45 45 VAL C C 13 178.490 0.01 . 1 . . . . 464 VAL C . 16733 1 447 . 1 1 45 45 VAL CA C 13 65.140 0.01 . 1 . . . . 464 VAL CA . 16733 1 448 . 1 1 45 45 VAL CB C 13 31.470 0.01 . 1 . . . . 464 VAL CB . 16733 1 449 . 1 1 45 45 VAL N N 15 120.730 0.01 . 1 . . . . 464 VAL N . 16733 1 450 . 1 1 46 46 GLY H H 1 8.990 0.001 . 1 . . . . 465 GLY H . 16733 1 451 . 1 1 46 46 GLY HA2 H 1 4.148 0.001 . 2 . . . . 465 GLY HA2 . 16733 1 452 . 1 1 46 46 GLY HA3 H 1 3.579 0.001 . 2 . . . . 465 GLY HA3 . 16733 1 453 . 1 1 46 46 GLY C C 13 173.500 0.01 . 1 . . . . 465 GLY C . 16733 1 454 . 1 1 46 46 GLY CA C 13 46.020 0.01 . 1 . . . . 465 GLY CA . 16733 1 455 . 1 1 46 46 GLY N N 15 115.310 0.01 . 1 . . . . 465 GLY N . 16733 1 456 . 1 1 47 47 LYS H H 1 8.303 0.001 . 1 . . . . 466 LYS H . 16733 1 457 . 1 1 47 47 LYS HA H 1 4.856 0.001 . 1 . . . . 466 LYS HA . 16733 1 458 . 1 1 47 47 LYS HB2 H 1 1.680 0.001 . 2 . . . . 466 LYS HB2 . 16733 1 459 . 1 1 47 47 LYS HB3 H 1 1.649 0.001 . 2 . . . . 466 LYS HB3 . 16733 1 460 . 1 1 47 47 LYS HD2 H 1 1.506 0.001 . 2 . . . . 466 LYS HD2 . 16733 1 461 . 1 1 47 47 LYS HE2 H 1 2.980 0.001 . 2 . . . . 466 LYS HE2 . 16733 1 462 . 1 1 47 47 LYS HG2 H 1 1.356 0.001 . 2 . . . . 466 LYS HG2 . 16733 1 463 . 1 1 47 47 LYS HG3 H 1 1.321 0.001 . 2 . . . . 466 LYS HG3 . 16733 1 464 . 1 1 47 47 LYS C C 13 175.070 0.01 . 1 . . . . 466 LYS C . 16733 1 465 . 1 1 47 47 LYS CA C 13 52.720 0.01 . 1 . . . . 466 LYS CA . 16733 1 466 . 1 1 47 47 LYS CB C 13 35.620 0.01 . 1 . . . . 466 LYS CB . 16733 1 467 . 1 1 47 47 LYS N N 15 120.270 0.01 . 1 . . . . 466 LYS N . 16733 1 468 . 1 1 48 48 VAL H H 1 9.236 0.001 . 1 . . . . 467 VAL H . 16733 1 469 . 1 1 48 48 VAL HA H 1 4.286 0.001 . 1 . . . . 467 VAL HA . 16733 1 470 . 1 1 48 48 VAL HB H 1 2.215 0.001 . 1 . . . . 467 VAL HB . 16733 1 471 . 1 1 48 48 VAL HG11 H 1 0.754 0.001 . 1 . . . . 467 VAL QG1 . 16733 1 472 . 1 1 48 48 VAL HG12 H 1 0.754 0.001 . 1 . . . . 467 VAL QG1 . 16733 1 473 . 1 1 48 48 VAL HG13 H 1 0.754 0.001 . 1 . . . . 467 VAL QG1 . 16733 1 474 . 1 1 48 48 VAL HG21 H 1 0.710 0.001 . 1 . . . . 467 VAL QG2 . 16733 1 475 . 1 1 48 48 VAL HG22 H 1 0.710 0.001 . 1 . . . . 467 VAL QG2 . 16733 1 476 . 1 1 48 48 VAL HG23 H 1 0.710 0.001 . 1 . . . . 467 VAL QG2 . 16733 1 477 . 1 1 48 48 VAL C C 13 177.510 0.01 . 1 . . . . 467 VAL C . 16733 1 478 . 1 1 48 48 VAL CA C 13 63.860 0.01 . 1 . . . . 467 VAL CA . 16733 1 479 . 1 1 48 48 VAL CB C 13 31.880 0.01 . 1 . . . . 467 VAL CB . 16733 1 480 . 1 1 48 48 VAL N N 15 120.450 0.01 . 1 . . . . 467 VAL N . 16733 1 481 . 1 1 49 49 ILE H H 1 9.584 0.001 . 1 . . . . 468 ILE H . 16733 1 482 . 1 1 49 49 ILE HA H 1 4.332 0.001 . 1 . . . . 468 ILE HA . 16733 1 483 . 1 1 49 49 ILE HB H 1 1.832 0.001 . 1 . . . . 468 ILE HB . 16733 1 484 . 1 1 49 49 ILE HD11 H 1 0.767 0.001 . 1 . . . . 468 ILE QD1 . 16733 1 485 . 1 1 49 49 ILE HD12 H 1 0.767 0.001 . 1 . . . . 468 ILE QD1 . 16733 1 486 . 1 1 49 49 ILE HD13 H 1 0.767 0.001 . 1 . . . . 468 ILE QD1 . 16733 1 487 . 1 1 49 49 ILE HG12 H 1 1.580 0.001 . 2 . . . . 468 ILE HG12 . 16733 1 488 . 1 1 49 49 ILE HG13 H 1 1.358 0.001 . 2 . . . . 468 ILE HG13 . 16733 1 489 . 1 1 49 49 ILE HG21 H 1 0.993 0.001 . 1 . . . . 468 ILE QG2 . 16733 1 490 . 1 1 49 49 ILE HG22 H 1 0.993 0.001 . 1 . . . . 468 ILE QG2 . 16733 1 491 . 1 1 49 49 ILE HG23 H 1 0.993 0.001 . 1 . . . . 468 ILE QG2 . 16733 1 492 . 1 1 49 49 ILE C C 13 176.560 0.01 . 1 . . . . 468 ILE C . 16733 1 493 . 1 1 49 49 ILE CA C 13 61.530 0.01 . 1 . . . . 468 ILE CA . 16733 1 494 . 1 1 49 49 ILE CB C 13 39.360 0.01 . 1 . . . . 468 ILE CB . 16733 1 495 . 1 1 49 49 ILE N N 15 125.930 0.01 . 1 . . . . 468 ILE N . 16733 1 496 . 1 1 50 50 GLY H H 1 7.590 0.001 . 1 . . . . 469 GLY H . 16733 1 497 . 1 1 50 50 GLY HA2 H 1 4.300 0.001 . 2 . . . . 469 GLY HA2 . 16733 1 498 . 1 1 50 50 GLY HA3 H 1 4.181 0.001 . 2 . . . . 469 GLY HA3 . 16733 1 499 . 1 1 50 50 GLY C C 13 170.150 0.01 . 1 . . . . 469 GLY C . 16733 1 500 . 1 1 50 50 GLY CA C 13 44.590 0.01 . 1 . . . . 469 GLY CA . 16733 1 501 . 1 1 50 50 GLY N N 15 108.940 0.01 . 1 . . . . 469 GLY N . 16733 1 502 . 1 1 51 51 THR H H 1 8.275 0.001 . 1 . . . . 470 THR H . 16733 1 503 . 1 1 51 51 THR HA H 1 5.338 0.001 . 1 . . . . 470 THR HA . 16733 1 504 . 1 1 51 51 THR HB H 1 4.080 0.001 . 1 . . . . 470 THR HB . 16733 1 505 . 1 1 51 51 THR HG1 H 1 6.185 0.001 . 1 . . . . 470 THR HG1 . 16733 1 506 . 1 1 51 51 THR HG21 H 1 0.903 0.001 . 1 . . . . 470 THR QG2 . 16733 1 507 . 1 1 51 51 THR HG22 H 1 0.903 0.001 . 1 . . . . 470 THR QG2 . 16733 1 508 . 1 1 51 51 THR HG23 H 1 0.903 0.001 . 1 . . . . 470 THR QG2 . 16733 1 509 . 1 1 51 51 THR C C 13 174.920 0.01 . 1 . . . . 470 THR C . 16733 1 510 . 1 1 51 51 THR CA C 13 59.340 0.01 . 1 . . . . 470 THR CA . 16733 1 511 . 1 1 51 51 THR CB C 13 73.420 0.01 . 1 . . . . 470 THR CB . 16733 1 512 . 1 1 51 51 THR N N 15 107.550 0.01 . 1 . . . . 470 THR N . 16733 1 513 . 1 1 52 52 ASN H H 1 8.969 0.001 . 1 . . . . 471 ASN H . 16733 1 514 . 1 1 52 52 ASN HA H 1 4.550 0.001 . 1 . . . . 471 ASN HA . 16733 1 515 . 1 1 52 52 ASN HB2 H 1 2.864 0.001 . 2 . . . . 471 ASN HB2 . 16733 1 516 . 1 1 52 52 ASN HB3 H 1 2.514 0.001 . 2 . . . . 471 ASN HB3 . 16733 1 517 . 1 1 52 52 ASN HD21 H 1 7.475 0.001 . 2 . . . . 471 ASN HD21 . 16733 1 518 . 1 1 52 52 ASN HD22 H 1 6.973 0.001 . 2 . . . . 471 ASN HD22 . 16733 1 519 . 1 1 52 52 ASN C C 13 173.590 0.01 . 1 . . . . 471 ASN C . 16733 1 520 . 1 1 52 52 ASN CA C 13 50.690 0.01 . 1 . . . . 471 ASN CA . 16733 1 521 . 1 1 52 52 ASN CB C 13 41.630 0.01 . 1 . . . . 471 ASN CB . 16733 1 522 . 1 1 52 52 ASN N N 15 117.550 0.01 . 1 . . . . 471 ASN N . 16733 1 523 . 1 1 52 52 ASN ND2 N 15 110.530 0.01 . 1 . . . . 471 ASN ND2 . 16733 1 524 . 1 1 53 53 PRO HD2 H 1 4.093 0.001 . 2 . . . . 472 PRO HD2 . 16733 1 525 . 1 1 53 53 PRO HD3 H 1 4.058 0.001 . 2 . . . . 472 PRO HD3 . 16733 1 526 . 1 1 54 54 PRO HA H 1 4.603 0.001 . 1 . . . . 473 PRO HA . 16733 1 527 . 1 1 54 54 PRO HB2 H 1 2.287 0.001 . 2 . . . . 473 PRO HB2 . 16733 1 528 . 1 1 54 54 PRO HB3 H 1 2.022 0.001 . 2 . . . . 473 PRO HB3 . 16733 1 529 . 1 1 54 54 PRO HG2 H 1 1.885 0.001 . 2 . . . . 473 PRO HG2 . 16733 1 530 . 1 1 54 54 PRO HG3 H 1 1.860 0.001 . 2 . . . . 473 PRO HG3 . 16733 1 531 . 1 1 54 54 PRO C C 13 174.090 0.01 . 1 . . . . 473 PRO C . 16733 1 532 . 1 1 54 54 PRO CA C 13 62.470 0.01 . 1 . . . . 473 PRO CA . 16733 1 533 . 1 1 54 54 PRO CB C 13 33.750 0.01 . 1 . . . . 473 PRO CB . 16733 1 534 . 1 1 55 55 ALA H H 1 7.979 0.001 . 1 . . . . 474 ALA H . 16733 1 535 . 1 1 55 55 ALA HA H 1 3.601 0.001 . 1 . . . . 474 ALA HA . 16733 1 536 . 1 1 55 55 ALA HB1 H 1 1.295 0.001 . 1 . . . . 474 ALA QB . 16733 1 537 . 1 1 55 55 ALA HB2 H 1 1.295 0.001 . 1 . . . . 474 ALA QB . 16733 1 538 . 1 1 55 55 ALA HB3 H 1 1.295 0.001 . 1 . . . . 474 ALA QB . 16733 1 539 . 1 1 55 55 ALA C C 13 178.740 0.01 . 1 . . . . 474 ALA C . 16733 1 540 . 1 1 55 55 ALA CA C 13 53.280 0.01 . 1 . . . . 474 ALA CA . 16733 1 541 . 1 1 55 55 ALA CB C 13 18.710 0.01 . 1 . . . . 474 ALA CB . 16733 1 542 . 1 1 55 55 ALA N N 15 117.660 0.01 . 1 . . . . 474 ALA N . 16733 1 543 . 1 1 56 56 ASN H H 1 9.376 0.001 . 1 . . . . 475 ASN H . 16733 1 544 . 1 1 56 56 ASN HA H 1 4.206 0.001 . 1 . . . . 475 ASN HA . 16733 1 545 . 1 1 56 56 ASN HB2 H 1 3.207 0.001 . 2 . . . . 475 ASN HB2 . 16733 1 546 . 1 1 56 56 ASN HB3 H 1 2.964 0.001 . 2 . . . . 475 ASN HB3 . 16733 1 547 . 1 1 56 56 ASN HD21 H 1 7.580 0.001 . 2 . . . . 475 ASN HD21 . 16733 1 548 . 1 1 56 56 ASN HD22 H 1 7.032 0.001 . 2 . . . . 475 ASN HD22 . 16733 1 549 . 1 1 56 56 ASN C C 13 174.680 0.01 . 1 . . . . 475 ASN C . 16733 1 550 . 1 1 56 56 ASN CA C 13 55.650 0.01 . 1 . . . . 475 ASN CA . 16733 1 551 . 1 1 56 56 ASN CB C 13 37.570 0.01 . 1 . . . . 475 ASN CB . 16733 1 552 . 1 1 56 56 ASN N N 15 113.360 0.01 . 1 . . . . 475 ASN N . 16733 1 553 . 1 1 56 56 ASN ND2 N 15 113.060 0.01 . 1 . . . . 475 ASN ND2 . 16733 1 554 . 1 1 57 57 GLN H H 1 7.849 0.001 . 1 . . . . 476 GLN H . 16733 1 555 . 1 1 57 57 GLN HA H 1 4.467 0.001 . 1 . . . . 476 GLN HA . 16733 1 556 . 1 1 57 57 GLN HB2 H 1 2.155 0.001 . 2 . . . . 476 GLN HB2 . 16733 1 557 . 1 1 57 57 GLN HB3 H 1 2.015 0.001 . 2 . . . . 476 GLN HB3 . 16733 1 558 . 1 1 57 57 GLN HE21 H 1 7.783 0.001 . 2 . . . . 476 GLN HE21 . 16733 1 559 . 1 1 57 57 GLN HE22 H 1 7.059 0.001 . 2 . . . . 476 GLN HE22 . 16733 1 560 . 1 1 57 57 GLN HG2 H 1 2.414 0.001 . 2 . . . . 476 GLN HG2 . 16733 1 561 . 1 1 57 57 GLN HG3 H 1 2.387 0.001 . 2 . . . . 476 GLN HG3 . 16733 1 562 . 1 1 57 57 GLN C C 13 175.450 0.01 . 1 . . . . 476 GLN C . 16733 1 563 . 1 1 57 57 GLN CA C 13 55.500 0.01 . 1 . . . . 476 GLN CA . 16733 1 564 . 1 1 57 57 GLN CB C 13 29.920 0.01 . 1 . . . . 476 GLN CB . 16733 1 565 . 1 1 57 57 GLN N N 15 119.530 0.01 . 1 . . . . 476 GLN N . 16733 1 566 . 1 1 57 57 GLN NE2 N 15 113.750 0.01 . 1 . . . . 476 GLN NE2 . 16733 1 567 . 1 1 58 58 THR H H 1 8.613 0.001 . 1 . . . . 477 THR H . 16733 1 568 . 1 1 58 58 THR HA H 1 4.741 0.001 . 1 . . . . 477 THR HA . 16733 1 569 . 1 1 58 58 THR HB H 1 3.916 0.001 . 1 . . . . 477 THR HB . 16733 1 570 . 1 1 58 58 THR HG21 H 1 1.044 0.001 . 1 . . . . 477 THR QG2 . 16733 1 571 . 1 1 58 58 THR HG22 H 1 1.044 0.001 . 1 . . . . 477 THR QG2 . 16733 1 572 . 1 1 58 58 THR HG23 H 1 1.044 0.001 . 1 . . . . 477 THR QG2 . 16733 1 573 . 1 1 58 58 THR C C 13 174.600 0.01 . 1 . . . . 477 THR C . 16733 1 574 . 1 1 58 58 THR CA C 13 62.390 0.01 . 1 . . . . 477 THR CA . 16733 1 575 . 1 1 58 58 THR CB C 13 70.170 0.01 . 1 . . . . 477 THR CB . 16733 1 576 . 1 1 58 58 THR N N 15 117.140 0.01 . 1 . . . . 477 THR N . 16733 1 577 . 1 1 59 59 SER H H 1 8.925 0.001 . 1 . . . . 478 SER H . 16733 1 578 . 1 1 59 59 SER HA H 1 4.732 0.001 . 1 . . . . 478 SER HA . 16733 1 579 . 1 1 59 59 SER HB2 H 1 3.623 0.001 . 2 . . . . 478 SER HB2 . 16733 1 580 . 1 1 59 59 SER HB3 H 1 3.585 0.001 . 2 . . . . 478 SER HB3 . 16733 1 581 . 1 1 59 59 SER C C 13 173.550 0.01 . 1 . . . . 478 SER C . 16733 1 582 . 1 1 59 59 SER CA C 13 56.900 0.01 . 1 . . . . 478 SER CA . 16733 1 583 . 1 1 59 59 SER CB C 13 66.590 0.01 . 1 . . . . 478 SER CB . 16733 1 584 . 1 1 59 59 SER N N 15 118.170 0.01 . 1 . . . . 478 SER N . 16733 1 585 . 1 1 60 60 ALA H H 1 8.571 0.001 . 1 . . . . 479 ALA H . 16733 1 586 . 1 1 60 60 ALA HA H 1 4.789 0.001 . 1 . . . . 479 ALA HA . 16733 1 587 . 1 1 60 60 ALA HB1 H 1 1.397 0.001 . 1 . . . . 479 ALA QB . 16733 1 588 . 1 1 60 60 ALA HB2 H 1 1.397 0.001 . 1 . . . . 479 ALA QB . 16733 1 589 . 1 1 60 60 ALA HB3 H 1 1.397 0.001 . 1 . . . . 479 ALA QB . 16733 1 590 . 1 1 60 60 ALA C C 13 181.480 0.01 . 1 . . . . 479 ALA C . 16733 1 591 . 1 1 60 60 ALA CA C 13 52.790 0.01 . 1 . . . . 479 ALA CA . 16733 1 592 . 1 1 60 60 ALA CB C 13 19.030 0.01 . 1 . . . . 479 ALA CB . 16733 1 593 . 1 1 60 60 ALA N N 15 128.400 0.01 . 1 . . . . 479 ALA N . 16733 1 594 . 1 1 61 61 ILE H H 1 8.496 0.001 . 1 . . . . 480 ILE H . 16733 1 595 . 1 1 61 61 ILE HA H 1 4.148 0.001 . 1 . . . . 480 ILE HA . 16733 1 596 . 1 1 61 61 ILE HB H 1 1.401 0.001 . 1 . . . . 480 ILE HB . 16733 1 597 . 1 1 61 61 ILE HD11 H 1 0.248 0.001 . 1 . . . . 480 ILE QD1 . 16733 1 598 . 1 1 61 61 ILE HD12 H 1 0.248 0.001 . 1 . . . . 480 ILE QD1 . 16733 1 599 . 1 1 61 61 ILE HD13 H 1 0.248 0.001 . 1 . . . . 480 ILE QD1 . 16733 1 600 . 1 1 61 61 ILE HG12 H 1 1.224 0.001 . 2 . . . . 480 ILE HG12 . 16733 1 601 . 1 1 61 61 ILE HG13 H 1 1.187 0.001 . 2 . . . . 480 ILE HG13 . 16733 1 602 . 1 1 61 61 ILE HG21 H 1 0.707 0.001 . 1 . . . . 480 ILE QG2 . 16733 1 603 . 1 1 61 61 ILE HG22 H 1 0.707 0.001 . 1 . . . . 480 ILE QG2 . 16733 1 604 . 1 1 61 61 ILE HG23 H 1 0.707 0.001 . 1 . . . . 480 ILE QG2 . 16733 1 605 . 1 1 61 61 ILE C C 13 177.090 0.01 . 1 . . . . 480 ILE C . 16733 1 606 . 1 1 61 61 ILE CA C 13 63.970 0.01 . 1 . . . . 480 ILE CA . 16733 1 607 . 1 1 61 61 ILE CB C 13 37.240 0.01 . 1 . . . . 480 ILE CB . 16733 1 608 . 1 1 61 61 ILE N N 15 117.000 0.01 . 1 . . . . 480 ILE N . 16733 1 609 . 1 1 62 62 THR H H 1 7.229 0.001 . 1 . . . . 481 THR H . 16733 1 610 . 1 1 62 62 THR HA H 1 4.154 0.001 . 1 . . . . 481 THR HA . 16733 1 611 . 1 1 62 62 THR HB H 1 4.438 0.001 . 1 . . . . 481 THR HB . 16733 1 612 . 1 1 62 62 THR HG21 H 1 1.180 0.001 . 1 . . . . 481 THR QG2 . 16733 1 613 . 1 1 62 62 THR HG22 H 1 1.180 0.001 . 1 . . . . 481 THR QG2 . 16733 1 614 . 1 1 62 62 THR HG23 H 1 1.180 0.001 . 1 . . . . 481 THR QG2 . 16733 1 615 . 1 1 62 62 THR C C 13 174.840 0.01 . 1 . . . . 481 THR C . 16733 1 616 . 1 1 62 62 THR CA C 13 61.410 0.01 . 1 . . . . 481 THR CA . 16733 1 617 . 1 1 62 62 THR CB C 13 69.110 0.01 . 1 . . . . 481 THR CB . 16733 1 618 . 1 1 62 62 THR N N 15 108.400 0.01 . 1 . . . . 481 THR N . 16733 1 619 . 1 1 63 63 ASN H H 1 7.419 0.001 . 1 . . . . 482 ASN H . 16733 1 620 . 1 1 63 63 ASN HA H 1 4.751 0.001 . 1 . . . . 482 ASN HA . 16733 1 621 . 1 1 63 63 ASN HB2 H 1 2.878 0.001 . 2 . . . . 482 ASN HB2 . 16733 1 622 . 1 1 63 63 ASN HB3 H 1 2.843 0.001 . 2 . . . . 482 ASN HB3 . 16733 1 623 . 1 1 63 63 ASN HD21 H 1 7.647 0.001 . 2 . . . . 482 ASN HD21 . 16733 1 624 . 1 1 63 63 ASN HD22 H 1 7.127 0.001 . 2 . . . . 482 ASN HD22 . 16733 1 625 . 1 1 63 63 ASN C C 13 174.520 0.01 . 1 . . . . 482 ASN C . 16733 1 626 . 1 1 63 63 ASN CA C 13 52.340 0.01 . 1 . . . . 482 ASN CA . 16733 1 627 . 1 1 63 63 ASN CB C 13 39.270 0.01 . 1 . . . . 482 ASN CB . 16733 1 628 . 1 1 63 63 ASN N N 15 121.150 0.01 . 1 . . . . 482 ASN N . 16733 1 629 . 1 1 63 63 ASN ND2 N 15 112.750 0.01 . 1 . . . . 482 ASN ND2 . 16733 1 630 . 1 1 64 64 VAL H H 1 8.316 0.001 . 1 . . . . 483 VAL H . 16733 1 631 . 1 1 64 64 VAL HA H 1 3.797 0.001 . 1 . . . . 483 VAL HA . 16733 1 632 . 1 1 64 64 VAL HB H 1 1.817 0.001 . 1 . . . . 483 VAL HB . 16733 1 633 . 1 1 64 64 VAL HG11 H 1 0.833 0.001 . 1 . . . . 483 VAL QG1 . 16733 1 634 . 1 1 64 64 VAL HG12 H 1 0.833 0.001 . 1 . . . . 483 VAL QG1 . 16733 1 635 . 1 1 64 64 VAL HG13 H 1 0.833 0.001 . 1 . . . . 483 VAL QG1 . 16733 1 636 . 1 1 64 64 VAL HG21 H 1 0.664 0.001 . 1 . . . . 483 VAL QG2 . 16733 1 637 . 1 1 64 64 VAL HG22 H 1 0.664 0.001 . 1 . . . . 483 VAL QG2 . 16733 1 638 . 1 1 64 64 VAL HG23 H 1 0.664 0.001 . 1 . . . . 483 VAL QG2 . 16733 1 639 . 1 1 64 64 VAL C C 13 175.630 0.01 . 1 . . . . 483 VAL C . 16733 1 640 . 1 1 64 64 VAL CA C 13 62.500 0.01 . 1 . . . . 483 VAL CA . 16733 1 641 . 1 1 64 64 VAL CB C 13 32.360 0.01 . 1 . . . . 483 VAL CB . 16733 1 642 . 1 1 64 64 VAL N N 15 121.590 0.01 . 1 . . . . 483 VAL N . 16733 1 643 . 1 1 65 65 VAL H H 1 8.607 0.001 . 1 . . . . 484 VAL H . 16733 1 644 . 1 1 65 65 VAL HA H 1 4.254 0.001 . 1 . . . . 484 VAL HA . 16733 1 645 . 1 1 65 65 VAL HB H 1 2.157 0.001 . 1 . . . . 484 VAL HB . 16733 1 646 . 1 1 65 65 VAL HG11 H 1 0.685 0.001 . 1 . . . . 484 VAL QG1 . 16733 1 647 . 1 1 65 65 VAL HG12 H 1 0.685 0.001 . 1 . . . . 484 VAL QG1 . 16733 1 648 . 1 1 65 65 VAL HG13 H 1 0.685 0.001 . 1 . . . . 484 VAL QG1 . 16733 1 649 . 1 1 65 65 VAL HG21 H 1 0.632 0.001 . 1 . . . . 484 VAL QG2 . 16733 1 650 . 1 1 65 65 VAL HG22 H 1 0.632 0.001 . 1 . . . . 484 VAL QG2 . 16733 1 651 . 1 1 65 65 VAL HG23 H 1 0.632 0.001 . 1 . . . . 484 VAL QG2 . 16733 1 652 . 1 1 65 65 VAL C C 13 175.280 0.01 . 1 . . . . 484 VAL C . 16733 1 653 . 1 1 65 65 VAL CA C 13 62.390 0.01 . 1 . . . . 484 VAL CA . 16733 1 654 . 1 1 65 65 VAL CB C 13 33.500 0.01 . 1 . . . . 484 VAL CB . 16733 1 655 . 1 1 65 65 VAL N N 15 129.410 0.01 . 1 . . . . 484 VAL N . 16733 1 656 . 1 1 66 66 ILE H H 1 8.661 0.001 . 1 . . . . 485 ILE H . 16733 1 657 . 1 1 66 66 ILE HA H 1 4.571 0.001 . 1 . . . . 485 ILE HA . 16733 1 658 . 1 1 66 66 ILE HB H 1 1.974 0.001 . 1 . . . . 485 ILE HB . 16733 1 659 . 1 1 66 66 ILE HD11 H 1 0.730 0.001 . 1 . . . . 485 ILE QD1 . 16733 1 660 . 1 1 66 66 ILE HD12 H 1 0.730 0.001 . 1 . . . . 485 ILE QD1 . 16733 1 661 . 1 1 66 66 ILE HD13 H 1 0.730 0.001 . 1 . . . . 485 ILE QD1 . 16733 1 662 . 1 1 66 66 ILE HG12 H 1 1.696 0.001 . 2 . . . . 485 ILE HG12 . 16733 1 663 . 1 1 66 66 ILE HG13 H 1 1.333 0.001 . 2 . . . . 485 ILE HG13 . 16733 1 664 . 1 1 66 66 ILE HG21 H 1 1.031 0.001 . 1 . . . . 485 ILE QG2 . 16733 1 665 . 1 1 66 66 ILE HG22 H 1 1.031 0.001 . 1 . . . . 485 ILE QG2 . 16733 1 666 . 1 1 66 66 ILE HG23 H 1 1.031 0.001 . 1 . . . . 485 ILE QG2 . 16733 1 667 . 1 1 66 66 ILE C C 13 175.590 0.01 . 1 . . . . 485 ILE C . 16733 1 668 . 1 1 66 66 ILE CA C 13 60.510 0.01 . 1 . . . . 485 ILE CA . 16733 1 669 . 1 1 66 66 ILE CB C 13 38.620 0.01 . 1 . . . . 485 ILE CB . 16733 1 670 . 1 1 66 66 ILE N N 15 127.780 0.01 . 1 . . . . 485 ILE N . 16733 1 671 . 1 1 67 67 ILE H H 1 9.204 0.001 . 1 . . . . 486 ILE H . 16733 1 672 . 1 1 67 67 ILE HA H 1 4.078 0.001 . 1 . . . . 486 ILE HA . 16733 1 673 . 1 1 67 67 ILE HB H 1 1.986 0.001 . 1 . . . . 486 ILE HB . 16733 1 674 . 1 1 67 67 ILE HD11 H 1 0.758 0.001 . 1 . . . . 486 ILE QD1 . 16733 1 675 . 1 1 67 67 ILE HD12 H 1 0.758 0.001 . 1 . . . . 486 ILE QD1 . 16733 1 676 . 1 1 67 67 ILE HD13 H 1 0.758 0.001 . 1 . . . . 486 ILE QD1 . 16733 1 677 . 1 1 67 67 ILE HG12 H 1 1.749 0.001 . 2 . . . . 486 ILE HG12 . 16733 1 678 . 1 1 67 67 ILE HG13 H 1 1.276 0.001 . 2 . . . . 486 ILE HG13 . 16733 1 679 . 1 1 67 67 ILE HG21 H 1 0.309 0.001 . 1 . . . . 486 ILE QG2 . 16733 1 680 . 1 1 67 67 ILE HG22 H 1 0.309 0.001 . 1 . . . . 486 ILE QG2 . 16733 1 681 . 1 1 67 67 ILE HG23 H 1 0.309 0.001 . 1 . . . . 486 ILE QG2 . 16733 1 682 . 1 1 67 67 ILE C C 13 174.010 0.01 . 1 . . . . 486 ILE C . 16733 1 683 . 1 1 67 67 ILE CA C 13 61.860 0.01 . 1 . . . . 486 ILE CA . 16733 1 684 . 1 1 67 67 ILE CB C 13 38.950 0.01 . 1 . . . . 486 ILE CB . 16733 1 685 . 1 1 67 67 ILE N N 15 129.560 0.01 . 1 . . . . 486 ILE N . 16733 1 686 . 1 1 68 68 ILE H H 1 8.581 0.001 . 1 . . . . 487 ILE H . 16733 1 687 . 1 1 68 68 ILE HA H 1 4.329 0.001 . 1 . . . . 487 ILE HA . 16733 1 688 . 1 1 68 68 ILE HB H 1 1.578 0.001 . 1 . . . . 487 ILE HB . 16733 1 689 . 1 1 68 68 ILE HD11 H 1 0.571 0.001 . 1 . . . . 487 ILE QD1 . 16733 1 690 . 1 1 68 68 ILE HD12 H 1 0.571 0.001 . 1 . . . . 487 ILE QD1 . 16733 1 691 . 1 1 68 68 ILE HD13 H 1 0.571 0.001 . 1 . . . . 487 ILE QD1 . 16733 1 692 . 1 1 68 68 ILE HG12 H 1 1.370 0.001 . 2 . . . . 487 ILE HG12 . 16733 1 693 . 1 1 68 68 ILE HG13 H 1 1.276 0.001 . 2 . . . . 487 ILE HG13 . 16733 1 694 . 1 1 68 68 ILE HG21 H 1 0.901 0.001 . 1 . . . . 487 ILE QG2 . 16733 1 695 . 1 1 68 68 ILE HG22 H 1 0.901 0.001 . 1 . . . . 487 ILE QG2 . 16733 1 696 . 1 1 68 68 ILE HG23 H 1 0.901 0.001 . 1 . . . . 487 ILE QG2 . 16733 1 697 . 1 1 68 68 ILE C C 13 175.150 0.01 . 1 . . . . 487 ILE C . 16733 1 698 . 1 1 68 68 ILE CA C 13 61.750 0.01 . 1 . . . . 487 ILE CA . 16733 1 699 . 1 1 68 68 ILE CB C 13 38.380 0.01 . 1 . . . . 487 ILE CB . 16733 1 700 . 1 1 68 68 ILE N N 15 128.640 0.01 . 1 . . . . 487 ILE N . 16733 1 701 . 1 1 69 69 VAL H H 1 9.286 0.001 . 1 . . . . 488 VAL H . 16733 1 702 . 1 1 69 69 VAL HA H 1 4.696 0.001 . 1 . . . . 488 VAL HA . 16733 1 703 . 1 1 69 69 VAL HB H 1 1.994 0.001 . 1 . . . . 488 VAL HB . 16733 1 704 . 1 1 69 69 VAL HG11 H 1 0.991 0.001 . 1 . . . . 488 VAL QG1 . 16733 1 705 . 1 1 69 69 VAL HG12 H 1 0.991 0.001 . 1 . . . . 488 VAL QG1 . 16733 1 706 . 1 1 69 69 VAL HG13 H 1 0.991 0.001 . 1 . . . . 488 VAL QG1 . 16733 1 707 . 1 1 69 69 VAL HG21 H 1 0.881 0.001 . 1 . . . . 488 VAL QG2 . 16733 1 708 . 1 1 69 69 VAL HG22 H 1 0.881 0.001 . 1 . . . . 488 VAL QG2 . 16733 1 709 . 1 1 69 69 VAL HG23 H 1 0.881 0.001 . 1 . . . . 488 VAL QG2 . 16733 1 710 . 1 1 69 69 VAL C C 13 176.750 0.01 . 1 . . . . 488 VAL C . 16733 1 711 . 1 1 69 69 VAL CA C 13 60.770 0.01 . 1 . . . . 488 VAL CA . 16733 1 712 . 1 1 69 69 VAL CB C 13 34.230 0.01 . 1 . . . . 488 VAL CB . 16733 1 713 . 1 1 69 69 VAL N N 15 129.550 0.01 . 1 . . . . 488 VAL N . 16733 1 714 . 1 1 70 70 GLY H H 1 9.437 0.001 . 1 . . . . 489 GLY H . 16733 1 715 . 1 1 70 70 GLY HA2 H 1 4.604 0.001 . 2 . . . . 489 GLY HA2 . 16733 1 716 . 1 1 70 70 GLY HA3 H 1 3.882 0.001 . 2 . . . . 489 GLY HA3 . 16733 1 717 . 1 1 70 70 GLY C C 13 176.860 0.01 . 1 . . . . 489 GLY C . 16733 1 718 . 1 1 70 70 GLY CA C 13 46.770 0.01 . 1 . . . . 489 GLY CA . 16733 1 719 . 1 1 70 70 GLY N N 15 113.940 0.01 . 1 . . . . 489 GLY N . 16733 1 720 . 1 1 71 71 SER H H 1 9.284 0.001 . 1 . . . . 490 SER H . 16733 1 721 . 1 1 71 71 SER HA H 1 4.750 0.001 . 1 . . . . 490 SER HA . 16733 1 722 . 1 1 71 71 SER HB2 H 1 3.857 0.001 . 2 . . . . 490 SER HB2 . 16733 1 723 . 1 1 71 71 SER HB3 H 1 3.678 0.001 . 2 . . . . 490 SER HB3 . 16733 1 724 . 1 1 71 71 SER C C 13 175.230 0.01 . 1 . . . . 490 SER C . 16733 1 725 . 1 1 71 71 SER CA C 13 57.080 0.01 . 1 . . . . 490 SER CA . 16733 1 726 . 1 1 71 71 SER CB C 13 65.450 0.01 . 1 . . . . 490 SER CB . 16733 1 727 . 1 1 71 71 SER N N 15 119.440 0.01 . 1 . . . . 490 SER N . 16733 1 728 . 1 1 72 72 GLY H H 1 8.267 0.001 . 1 . . . . 491 GLY H . 16733 1 729 . 1 1 72 72 GLY HA2 H 1 4.133 0.001 . 2 . . . . 491 GLY HA2 . 16733 1 730 . 1 1 72 72 GLY HA3 H 1 3.382 0.001 . 2 . . . . 491 GLY HA3 . 16733 1 731 . 1 1 72 72 GLY C C 13 172.260 0.01 . 1 . . . . 491 GLY C . 16733 1 732 . 1 1 72 72 GLY CA C 13 45.420 0.01 . 1 . . . . 491 GLY CA . 16733 1 733 . 1 1 72 72 GLY N N 15 111.470 0.01 . 1 . . . . 491 GLY N . 16733 1 734 . 1 1 73 73 PRO HA H 1 4.375 0.001 . 1 . . . . 492 PRO HA . 16733 1 735 . 1 1 73 73 PRO HB2 H 1 2.337 0.001 . 2 . . . . 492 PRO HB2 . 16733 1 736 . 1 1 73 73 PRO HB3 H 1 1.912 0.001 . 2 . . . . 492 PRO HB3 . 16733 1 737 . 1 1 73 73 PRO HD2 H 1 3.681 0.001 . 2 . . . . 492 PRO HD2 . 16733 1 738 . 1 1 73 73 PRO HD3 H 1 3.681 0.001 . 2 . . . . 492 PRO HD3 . 16733 1 739 . 1 1 73 73 PRO HG2 H 1 2.030 0.001 . 2 . . . . 492 PRO HG2 . 16733 1 740 . 1 1 73 73 PRO HG3 H 1 2.030 0.001 . 2 . . . . 492 PRO HG3 . 16733 1 741 . 1 1 73 73 PRO C C 13 176.840 0.01 . 1 . . . . 492 PRO C . 16733 1 742 . 1 1 73 73 PRO CA C 13 63.630 0.01 . 1 . . . . 492 PRO CA . 16733 1 743 . 1 1 73 73 PRO CB C 13 32.360 0.01 . 1 . . . . 492 PRO CB . 16733 1 744 . 1 1 74 74 ALA H H 1 8.797 0.001 . 1 . . . . 493 ALA H . 16733 1 745 . 1 1 74 74 ALA HA H 1 4.353 0.001 . 1 . . . . 493 ALA HA . 16733 1 746 . 1 1 74 74 ALA HB1 H 1 1.370 0.001 . 1 . . . . 493 ALA QB . 16733 1 747 . 1 1 74 74 ALA HB2 H 1 1.370 0.001 . 1 . . . . 493 ALA QB . 16733 1 748 . 1 1 74 74 ALA HB3 H 1 1.370 0.001 . 1 . . . . 493 ALA QB . 16733 1 749 . 1 1 74 74 ALA C C 13 177.450 0.01 . 1 . . . . 493 ALA C . 16733 1 750 . 1 1 74 74 ALA CA C 13 52.760 0.01 . 1 . . . . 493 ALA CA . 16733 1 751 . 1 1 74 74 ALA CB C 13 19.270 0.01 . 1 . . . . 493 ALA CB . 16733 1 752 . 1 1 74 74 ALA N N 15 124.920 0.01 . 1 . . . . 493 ALA N . 16733 1 753 . 1 1 75 75 THR H H 1 8.096 0.001 . 1 . . . . 494 THR H . 16733 1 754 . 1 1 75 75 THR HA H 1 5.021 0.001 . 1 . . . . 494 THR HA . 16733 1 755 . 1 1 75 75 THR HB H 1 3.813 0.001 . 1 . . . . 494 THR HB . 16733 1 756 . 1 1 75 75 THR HG21 H 1 0.963 0.001 . 1 . . . . 494 THR QG2 . 16733 1 757 . 1 1 75 75 THR HG22 H 1 0.963 0.001 . 1 . . . . 494 THR QG2 . 16733 1 758 . 1 1 75 75 THR HG23 H 1 0.963 0.001 . 1 . . . . 494 THR QG2 . 16733 1 759 . 1 1 75 75 THR C C 13 173.800 0.01 . 1 . . . . 494 THR C . 16733 1 760 . 1 1 75 75 THR CA C 13 59.220 0.01 . 1 . . . . 494 THR CA . 16733 1 761 . 1 1 75 75 THR CB C 13 72.200 0.01 . 1 . . . . 494 THR CB . 16733 1 762 . 1 1 75 75 THR N N 15 111.800 0.01 . 1 . . . . 494 THR N . 16733 1 763 . 1 1 76 76 LYS H H 1 8.892 0.001 . 1 . . . . 495 LYS H . 16733 1 764 . 1 1 76 76 LYS HA H 1 4.626 0.001 . 1 . . . . 495 LYS HA . 16733 1 765 . 1 1 76 76 LYS HB2 H 1 1.825 0.001 . 2 . . . . 495 LYS HB2 . 16733 1 766 . 1 1 76 76 LYS HB3 H 1 1.586 0.001 . 2 . . . . 495 LYS HB3 . 16733 1 767 . 1 1 76 76 LYS HD2 H 1 1.550 0.001 . 2 . . . . 495 LYS HD2 . 16733 1 768 . 1 1 76 76 LYS HE2 H 1 2.980 0.001 . 2 . . . . 495 LYS HE2 . 16733 1 769 . 1 1 76 76 LYS HG2 H 1 1.371 0.001 . 2 . . . . 495 LYS HG2 . 16733 1 770 . 1 1 76 76 LYS HG3 H 1 1.040 0.001 . 2 . . . . 495 LYS HG3 . 16733 1 771 . 1 1 76 76 LYS C C 13 174.070 0.01 . 1 . . . . 495 LYS C . 16733 1 772 . 1 1 76 76 LYS CA C 13 54.450 0.01 . 1 . . . . 495 LYS CA . 16733 1 773 . 1 1 76 76 LYS CB C 13 37.730 0.01 . 1 . . . . 495 LYS CB . 16733 1 774 . 1 1 76 76 LYS N N 15 120.430 0.01 . 1 . . . . 495 LYS N . 16733 1 775 . 1 1 77 77 ASP H H 1 8.564 0.001 . 1 . . . . 496 ASP H . 16733 1 776 . 1 1 77 77 ASP HA H 1 5.033 0.001 . 1 . . . . 496 ASP HA . 16733 1 777 . 1 1 77 77 ASP HB2 H 1 2.434 0.001 . 2 . . . . 496 ASP HB2 . 16733 1 778 . 1 1 77 77 ASP HB3 H 1 2.400 0.001 . 2 . . . . 496 ASP HB3 . 16733 1 779 . 1 1 77 77 ASP C C 13 176.250 0.01 . 1 . . . . 496 ASP C . 16733 1 780 . 1 1 77 77 ASP CA C 13 52.640 0.01 . 1 . . . . 496 ASP CA . 16733 1 781 . 1 1 77 77 ASP CB C 13 39.760 0.01 . 1 . . . . 496 ASP CB . 16733 1 782 . 1 1 77 77 ASP N N 15 121.390 0.01 . 1 . . . . 496 ASP N . 16733 1 783 . 1 1 78 78 ILE H H 1 8.174 0.001 . 1 . . . . 497 ILE H . 16733 1 784 . 1 1 78 78 ILE HA H 1 4.148 0.001 . 1 . . . . 497 ILE HA . 16733 1 785 . 1 1 78 78 ILE HB H 1 1.931 0.001 . 1 . . . . 497 ILE HB . 16733 1 786 . 1 1 78 78 ILE HD11 H 1 0.538 0.001 . 1 . . . . 497 ILE QD1 . 16733 1 787 . 1 1 78 78 ILE HD12 H 1 0.538 0.001 . 1 . . . . 497 ILE QD1 . 16733 1 788 . 1 1 78 78 ILE HD13 H 1 0.538 0.001 . 1 . . . . 497 ILE QD1 . 16733 1 789 . 1 1 78 78 ILE HG12 H 1 1.561 0.001 . 2 . . . . 497 ILE HG12 . 16733 1 790 . 1 1 78 78 ILE HG13 H 1 0.873 0.001 . 2 . . . . 497 ILE HG13 . 16733 1 791 . 1 1 78 78 ILE HG21 H 1 0.288 0.001 . 1 . . . . 497 ILE QG2 . 16733 1 792 . 1 1 78 78 ILE HG22 H 1 0.288 0.001 . 1 . . . . 497 ILE QG2 . 16733 1 793 . 1 1 78 78 ILE HG23 H 1 0.288 0.001 . 1 . . . . 497 ILE QG2 . 16733 1 794 . 1 1 78 78 ILE C C 13 175.380 0.01 . 1 . . . . 497 ILE C . 16733 1 795 . 1 1 78 78 ILE CA C 13 60.320 0.01 . 1 . . . . 497 ILE CA . 16733 1 796 . 1 1 78 78 ILE CB C 13 40.090 0.01 . 1 . . . . 497 ILE CB . 16733 1 797 . 1 1 78 78 ILE N N 15 123.950 0.01 . 1 . . . . 497 ILE N . 16733 1 798 . 1 1 79 79 PRO HA H 1 4.397 0.001 . 1 . . . . 498 PRO HA . 16733 1 799 . 1 1 79 79 PRO HB2 H 1 1.600 0.001 . 2 . . . . 498 PRO HB2 . 16733 1 800 . 1 1 79 79 PRO HB3 H 1 1.330 0.001 . 2 . . . . 498 PRO HB3 . 16733 1 801 . 1 1 79 79 PRO HD2 H 1 3.670 0.001 . 2 . . . . 498 PRO HD2 . 16733 1 802 . 1 1 79 79 PRO HD3 H 1 3.412 0.001 . 2 . . . . 498 PRO HD3 . 16733 1 803 . 1 1 79 79 PRO HG2 H 1 1.600 0.001 . 2 . . . . 498 PRO HG2 . 16733 1 804 . 1 1 79 79 PRO HG3 H 1 1.600 0.001 . 2 . . . . 498 PRO HG3 . 16733 1 805 . 1 1 79 79 PRO C C 13 174.880 0.01 . 1 . . . . 498 PRO C . 16733 1 806 . 1 1 79 79 PRO CA C 13 62.170 0.01 . 1 . . . . 498 PRO CA . 16733 1 807 . 1 1 79 79 PRO CB C 13 32.120 0.01 . 1 . . . . 498 PRO CB . 16733 1 808 . 1 1 80 80 ASP H H 1 8.648 0.001 . 1 . . . . 499 ASP H . 16733 1 809 . 1 1 80 80 ASP HA H 1 4.417 0.001 . 1 . . . . 499 ASP HA . 16733 1 810 . 1 1 80 80 ASP HB2 H 1 2.818 0.001 . 2 . . . . 499 ASP HB2 . 16733 1 811 . 1 1 80 80 ASP HB3 H 1 2.439 0.001 . 2 . . . . 499 ASP HB3 . 16733 1 812 . 1 1 80 80 ASP C C 13 176.950 0.01 . 1 . . . . 499 ASP C . 16733 1 813 . 1 1 80 80 ASP CA C 13 54.450 0.01 . 1 . . . . 499 ASP CA . 16733 1 814 . 1 1 80 80 ASP CB C 13 40.660 0.01 . 1 . . . . 499 ASP CB . 16733 1 815 . 1 1 80 80 ASP N N 15 118.330 0.01 . 1 . . . . 499 ASP N . 16733 1 816 . 1 1 81 81 VAL H H 1 7.489 0.001 . 1 . . . . 500 VAL H . 16733 1 817 . 1 1 81 81 VAL HA H 1 4.496 0.001 . 1 . . . . 500 VAL HA . 16733 1 818 . 1 1 81 81 VAL HB H 1 2.436 0.001 . 1 . . . . 500 VAL HB . 16733 1 819 . 1 1 81 81 VAL HG11 H 1 0.748 0.001 . 1 . . . . 500 VAL QG1 . 16733 1 820 . 1 1 81 81 VAL HG12 H 1 0.748 0.001 . 1 . . . . 500 VAL QG1 . 16733 1 821 . 1 1 81 81 VAL HG13 H 1 0.748 0.001 . 1 . . . . 500 VAL QG1 . 16733 1 822 . 1 1 81 81 VAL HG21 H 1 0.575 0.001 . 1 . . . . 500 VAL QG2 . 16733 1 823 . 1 1 81 81 VAL HG22 H 1 0.575 0.001 . 1 . . . . 500 VAL QG2 . 16733 1 824 . 1 1 81 81 VAL HG23 H 1 0.575 0.001 . 1 . . . . 500 VAL QG2 . 16733 1 825 . 1 1 81 81 VAL C C 13 174.120 0.01 . 1 . . . . 500 VAL C . 16733 1 826 . 1 1 81 81 VAL CA C 13 60.100 0.01 . 1 . . . . 500 VAL CA . 16733 1 827 . 1 1 81 81 VAL CB C 13 31.140 0.01 . 1 . . . . 500 VAL CB . 16733 1 828 . 1 1 81 81 VAL N N 15 119.920 0.01 . 1 . . . . 500 VAL N . 16733 1 829 . 1 1 82 82 ALA H H 1 7.694 0.001 . 1 . . . . 501 ALA H . 16733 1 830 . 1 1 82 82 ALA HA H 1 3.778 0.001 . 1 . . . . 501 ALA HA . 16733 1 831 . 1 1 82 82 ALA HB1 H 1 1.289 0.001 . 1 . . . . 501 ALA QB . 16733 1 832 . 1 1 82 82 ALA HB2 H 1 1.289 0.001 . 1 . . . . 501 ALA QB . 16733 1 833 . 1 1 82 82 ALA HB3 H 1 1.289 0.001 . 1 . . . . 501 ALA QB . 16733 1 834 . 1 1 82 82 ALA C C 13 179.770 0.01 . 1 . . . . 501 ALA C . 16733 1 835 . 1 1 82 82 ALA CA C 13 53.620 0.01 . 1 . . . . 501 ALA CA . 16733 1 836 . 1 1 82 82 ALA CB C 13 18.380 0.01 . 1 . . . . 501 ALA CB . 16733 1 837 . 1 1 82 82 ALA N N 15 122.910 0.01 . 1 . . . . 501 ALA N . 16733 1 838 . 1 1 83 83 GLY H H 1 9.511 0.001 . 1 . . . . 502 GLY H . 16733 1 839 . 1 1 83 83 GLY HA2 H 1 4.269 0.001 . 2 . . . . 502 GLY HA2 . 16733 1 840 . 1 1 83 83 GLY HA3 H 1 3.623 0.001 . 2 . . . . 502 GLY HA3 . 16733 1 841 . 1 1 83 83 GLY C C 13 173.710 0.01 . 1 . . . . 502 GLY C . 16733 1 842 . 1 1 83 83 GLY CA C 13 44.850 0.01 . 1 . . . . 502 GLY CA . 16733 1 843 . 1 1 83 83 GLY N N 15 109.620 0.01 . 1 . . . . 502 GLY N . 16733 1 844 . 1 1 84 84 GLN H H 1 7.365 0.001 . 1 . . . . 503 GLN H . 16733 1 845 . 1 1 84 84 GLN HA H 1 4.502 0.001 . 1 . . . . 503 GLN HA . 16733 1 846 . 1 1 84 84 GLN HB2 H 1 2.080 0.001 . 2 . . . . 503 GLN HB2 . 16733 1 847 . 1 1 84 84 GLN HB3 H 1 2.019 0.001 . 2 . . . . 503 GLN HB3 . 16733 1 848 . 1 1 84 84 GLN HE21 H 1 6.986 0.001 . 2 . . . . 503 GLN HE21 . 16733 1 849 . 1 1 84 84 GLN HE22 H 1 6.426 0.001 . 2 . . . . 503 GLN HE22 . 16733 1 850 . 1 1 84 84 GLN HG2 H 1 2.273 0.001 . 2 . . . . 503 GLN HG2 . 16733 1 851 . 1 1 84 84 GLN HG3 H 1 2.237 0.001 . 2 . . . . 503 GLN HG3 . 16733 1 852 . 1 1 84 84 GLN C C 13 176.180 0.01 . 1 . . . . 503 GLN C . 16733 1 853 . 1 1 84 84 GLN CA C 13 54.710 0.01 . 1 . . . . 503 GLN CA . 16733 1 854 . 1 1 84 84 GLN CB C 13 30.010 0.01 . 1 . . . . 503 GLN CB . 16733 1 855 . 1 1 84 84 GLN N N 15 120.230 0.01 . 1 . . . . 503 GLN N . 16733 1 856 . 1 1 84 84 GLN NE2 N 15 106.260 0.01 . 1 . . . . 503 GLN NE2 . 16733 1 857 . 1 1 85 85 THR H H 1 7.973 0.001 . 1 . . . . 504 THR H . 16733 1 858 . 1 1 85 85 THR HA H 1 4.638 0.001 . 1 . . . . 504 THR HA . 16733 1 859 . 1 1 85 85 THR HB H 1 4.080 0.001 . 1 . . . . 504 THR HB . 16733 1 860 . 1 1 85 85 THR HG21 H 1 1.309 0.001 . 1 . . . . 504 THR QG2 . 16733 1 861 . 1 1 85 85 THR HG22 H 1 1.309 0.001 . 1 . . . . 504 THR QG2 . 16733 1 862 . 1 1 85 85 THR HG23 H 1 1.309 0.001 . 1 . . . . 504 THR QG2 . 16733 1 863 . 1 1 85 85 THR C C 13 175.440 0.01 . 1 . . . . 504 THR C . 16733 1 864 . 1 1 85 85 THR CA C 13 61.750 0.01 . 1 . . . . 504 THR CA . 16733 1 865 . 1 1 85 85 THR CB C 13 70.410 0.01 . 1 . . . . 504 THR CB . 16733 1 866 . 1 1 85 85 THR N N 15 110.090 0.01 . 1 . . . . 504 THR N . 16733 1 867 . 1 1 86 86 VAL H H 1 8.544 0.001 . 1 . . . . 505 VAL H . 16733 1 868 . 1 1 86 86 VAL HA H 1 3.233 0.001 . 1 . . . . 505 VAL HA . 16733 1 869 . 1 1 86 86 VAL HB H 1 1.927 0.001 . 1 . . . . 505 VAL HB . 16733 1 870 . 1 1 86 86 VAL HG11 H 1 0.916 0.001 . 1 . . . . 505 VAL QG1 . 16733 1 871 . 1 1 86 86 VAL HG12 H 1 0.916 0.001 . 1 . . . . 505 VAL QG1 . 16733 1 872 . 1 1 86 86 VAL HG13 H 1 0.916 0.001 . 1 . . . . 505 VAL QG1 . 16733 1 873 . 1 1 86 86 VAL HG21 H 1 0.738 0.001 . 1 . . . . 505 VAL QG2 . 16733 1 874 . 1 1 86 86 VAL HG22 H 1 0.738 0.001 . 1 . . . . 505 VAL QG2 . 16733 1 875 . 1 1 86 86 VAL HG23 H 1 0.738 0.001 . 1 . . . . 505 VAL QG2 . 16733 1 876 . 1 1 86 86 VAL C C 13 177.130 0.01 . 1 . . . . 505 VAL C . 16733 1 877 . 1 1 86 86 VAL CA C 13 68.040 0.01 . 1 . . . . 505 VAL CA . 16733 1 878 . 1 1 86 86 VAL CB C 13 31.710 0.01 . 1 . . . . 505 VAL CB . 16733 1 879 . 1 1 86 86 VAL N N 15 120.080 0.01 . 1 . . . . 505 VAL N . 16733 1 880 . 1 1 87 87 ASP H H 1 8.596 0.001 . 1 . . . . 506 ASP H . 16733 1 881 . 1 1 87 87 ASP HA H 1 4.185 0.001 . 1 . . . . 506 ASP HA . 16733 1 882 . 1 1 87 87 ASP HB2 H 1 2.583 0.001 . 2 . . . . 506 ASP HB2 . 16733 1 883 . 1 1 87 87 ASP HB3 H 1 2.542 0.001 . 2 . . . . 506 ASP HB3 . 16733 1 884 . 1 1 87 87 ASP C C 13 178.760 0.01 . 1 . . . . 506 ASP C . 16733 1 885 . 1 1 87 87 ASP CA C 13 57.270 0.01 . 1 . . . . 506 ASP CA . 16733 1 886 . 1 1 87 87 ASP CB C 13 40.570 0.01 . 1 . . . . 506 ASP CB . 16733 1 887 . 1 1 87 87 ASP N N 15 116.370 0.01 . 1 . . . . 506 ASP N . 16733 1 888 . 1 1 88 88 VAL H H 1 7.086 0.001 . 1 . . . . 507 VAL H . 16733 1 889 . 1 1 88 88 VAL HA H 1 3.484 0.001 . 1 . . . . 507 VAL HA . 16733 1 890 . 1 1 88 88 VAL HB H 1 2.035 0.001 . 1 . . . . 507 VAL HB . 16733 1 891 . 1 1 88 88 VAL HG11 H 1 0.955 0.001 . 1 . . . . 507 VAL QG1 . 16733 1 892 . 1 1 88 88 VAL HG12 H 1 0.955 0.001 . 1 . . . . 507 VAL QG1 . 16733 1 893 . 1 1 88 88 VAL HG13 H 1 0.955 0.001 . 1 . . . . 507 VAL QG1 . 16733 1 894 . 1 1 88 88 VAL HG21 H 1 0.910 0.001 . 1 . . . . 507 VAL QG2 . 16733 1 895 . 1 1 88 88 VAL HG22 H 1 0.910 0.001 . 1 . . . . 507 VAL QG2 . 16733 1 896 . 1 1 88 88 VAL HG23 H 1 0.910 0.001 . 1 . . . . 507 VAL QG2 . 16733 1 897 . 1 1 88 88 VAL C C 13 177.430 0.01 . 1 . . . . 507 VAL C . 16733 1 898 . 1 1 88 88 VAL CA C 13 66.530 0.01 . 1 . . . . 507 VAL CA . 16733 1 899 . 1 1 88 88 VAL CB C 13 32.770 0.01 . 1 . . . . 507 VAL CB . 16733 1 900 . 1 1 88 88 VAL N N 15 122.250 0.01 . 1 . . . . 507 VAL N . 16733 1 901 . 1 1 89 89 ALA H H 1 8.985 0.001 . 1 . . . . 508 ALA H . 16733 1 902 . 1 1 89 89 ALA HA H 1 4.518 0.001 . 1 . . . . 508 ALA HA . 16733 1 903 . 1 1 89 89 ALA HB1 H 1 1.278 0.001 . 1 . . . . 508 ALA QB . 16733 1 904 . 1 1 89 89 ALA HB2 H 1 1.278 0.001 . 1 . . . . 508 ALA QB . 16733 1 905 . 1 1 89 89 ALA HB3 H 1 1.278 0.001 . 1 . . . . 508 ALA QB . 16733 1 906 . 1 1 89 89 ALA C C 13 180.660 0.01 . 1 . . . . 508 ALA C . 16733 1 907 . 1 1 89 89 ALA CA C 13 55.200 0.01 . 1 . . . . 508 ALA CA . 16733 1 908 . 1 1 89 89 ALA CB C 13 19.270 0.01 . 1 . . . . 508 ALA CB . 16733 1 909 . 1 1 89 89 ALA N N 15 123.730 0.01 . 1 . . . . 508 ALA N . 16733 1 910 . 1 1 90 90 GLN H H 1 8.383 0.001 . 1 . . . . 509 GLN H . 16733 1 911 . 1 1 90 90 GLN HA H 1 3.171 0.001 . 1 . . . . 509 GLN HA . 16733 1 912 . 1 1 90 90 GLN HB2 H 1 1.925 0.001 . 2 . . . . 509 GLN HB2 . 16733 1 913 . 1 1 90 90 GLN HB3 H 1 1.710 0.001 . 2 . . . . 509 GLN HB3 . 16733 1 914 . 1 1 90 90 GLN HE21 H 1 6.877 0.001 . 2 . . . . 509 GLN HE21 . 16733 1 915 . 1 1 90 90 GLN HE22 H 1 6.340 0.001 . 2 . . . . 509 GLN HE22 . 16733 1 916 . 1 1 90 90 GLN HG2 H 1 2.342 0.001 . 2 . . . . 509 GLN HG2 . 16733 1 917 . 1 1 90 90 GLN HG3 H 1 2.305 0.001 . 2 . . . . 509 GLN HG3 . 16733 1 918 . 1 1 90 90 GLN C C 13 178.000 0.01 . 1 . . . . 509 GLN C . 16733 1 919 . 1 1 90 90 GLN CA C 13 59.980 0.01 . 1 . . . . 509 GLN CA . 16733 1 920 . 1 1 90 90 GLN CB C 13 28.050 0.01 . 1 . . . . 509 GLN CB . 16733 1 921 . 1 1 90 90 GLN N N 15 114.790 0.01 . 1 . . . . 509 GLN N . 16733 1 922 . 1 1 90 90 GLN NE2 N 15 108.970 0.01 . 1 . . . . 509 GLN NE2 . 16733 1 923 . 1 1 91 91 LYS H H 1 7.480 0.001 . 1 . . . . 510 LYS H . 16733 1 924 . 1 1 91 91 LYS HA H 1 4.083 0.001 . 1 . . . . 510 LYS HA . 16733 1 925 . 1 1 91 91 LYS HB2 H 1 1.980 0.001 . 2 . . . . 510 LYS HB2 . 16733 1 926 . 1 1 91 91 LYS HB3 H 1 1.939 0.001 . 2 . . . . 510 LYS HB3 . 16733 1 927 . 1 1 91 91 LYS HD2 H 1 1.688 0.001 . 2 . . . . 510 LYS HD2 . 16733 1 928 . 1 1 91 91 LYS HE2 H 1 2.980 0.001 . 2 . . . . 510 LYS HE2 . 16733 1 929 . 1 1 91 91 LYS HG2 H 1 1.632 0.001 . 2 . . . . 510 LYS HG2 . 16733 1 930 . 1 1 91 91 LYS HG3 H 1 1.442 0.001 . 2 . . . . 510 LYS HG3 . 16733 1 931 . 1 1 91 91 LYS C C 13 179.750 0.01 . 1 . . . . 510 LYS C . 16733 1 932 . 1 1 91 91 LYS CA C 13 59.950 0.01 . 1 . . . . 510 LYS CA . 16733 1 933 . 1 1 91 91 LYS CB C 13 31.880 0.01 . 1 . . . . 510 LYS CB . 16733 1 934 . 1 1 91 91 LYS N N 15 119.600 0.01 . 1 . . . . 510 LYS N . 16733 1 935 . 1 1 92 92 ASN H H 1 8.526 0.001 . 1 . . . . 511 ASN H . 16733 1 936 . 1 1 92 92 ASN HA H 1 4.668 0.001 . 1 . . . . 511 ASN HA . 16733 1 937 . 1 1 92 92 ASN HB2 H 1 2.939 0.001 . 2 . . . . 511 ASN HB2 . 16733 1 938 . 1 1 92 92 ASN HB3 H 1 2.635 0.001 . 2 . . . . 511 ASN HB3 . 16733 1 939 . 1 1 92 92 ASN HD21 H 1 8.071 0.001 . 2 . . . . 511 ASN HD21 . 16733 1 940 . 1 1 92 92 ASN HD22 H 1 7.123 0.001 . 2 . . . . 511 ASN HD22 . 16733 1 941 . 1 1 92 92 ASN C C 13 179.080 0.01 . 1 . . . . 511 ASN C . 16733 1 942 . 1 1 92 92 ASN CA C 13 56.410 0.01 . 1 . . . . 511 ASN CA . 16733 1 943 . 1 1 92 92 ASN CB C 13 38.460 0.01 . 1 . . . . 511 ASN CB . 16733 1 944 . 1 1 92 92 ASN N N 15 118.870 0.01 . 1 . . . . 511 ASN N . 16733 1 945 . 1 1 92 92 ASN ND2 N 15 116.360 0.01 . 1 . . . . 511 ASN ND2 . 16733 1 946 . 1 1 93 93 LEU H H 1 8.868 0.001 . 1 . . . . 512 LEU H . 16733 1 947 . 1 1 93 93 LEU HA H 1 4.296 0.001 . 1 . . . . 512 LEU HA . 16733 1 948 . 1 1 93 93 LEU HB2 H 1 2.223 0.001 . 2 . . . . 512 LEU HB2 . 16733 1 949 . 1 1 93 93 LEU HB3 H 1 1.816 0.001 . 2 . . . . 512 LEU HB3 . 16733 1 950 . 1 1 93 93 LEU HD11 H 1 0.753 0.001 . 1 . . . . 512 LEU QD1 . 16733 1 951 . 1 1 93 93 LEU HD12 H 1 0.753 0.001 . 1 . . . . 512 LEU QD1 . 16733 1 952 . 1 1 93 93 LEU HD13 H 1 0.753 0.001 . 1 . . . . 512 LEU QD1 . 16733 1 953 . 1 1 93 93 LEU HD21 H 1 0.630 0.001 . 1 . . . . 512 LEU QD2 . 16733 1 954 . 1 1 93 93 LEU HD22 H 1 0.630 0.001 . 1 . . . . 512 LEU QD2 . 16733 1 955 . 1 1 93 93 LEU HD23 H 1 0.630 0.001 . 1 . . . . 512 LEU QD2 . 16733 1 956 . 1 1 93 93 LEU HG H 1 1.625 0.001 . 1 . . . . 512 LEU HG . 16733 1 957 . 1 1 93 93 LEU C C 13 179.790 0.01 . 1 . . . . 512 LEU C . 16733 1 958 . 1 1 93 93 LEU CA C 13 59.190 0.01 . 1 . . . . 512 LEU CA . 16733 1 959 . 1 1 93 93 LEU CB C 13 41.710 0.01 . 1 . . . . 512 LEU CB . 16733 1 960 . 1 1 93 93 LEU N N 15 121.570 0.01 . 1 . . . . 512 LEU N . 16733 1 961 . 1 1 94 94 ASN H H 1 9.012 0.001 . 1 . . . . 513 ASN H . 16733 1 962 . 1 1 94 94 ASN HA H 1 5.208 0.001 . 1 . . . . 513 ASN HA . 16733 1 963 . 1 1 94 94 ASN HB2 H 1 3.315 0.001 . 2 . . . . 513 ASN HB2 . 16733 1 964 . 1 1 94 94 ASN HB3 H 1 2.889 0.001 . 2 . . . . 513 ASN HB3 . 16733 1 965 . 1 1 94 94 ASN HD21 H 1 8.333 0.001 . 2 . . . . 513 ASN HD21 . 16733 1 966 . 1 1 94 94 ASN HD22 H 1 7.609 0.001 . 2 . . . . 513 ASN HD22 . 16733 1 967 . 1 1 94 94 ASN C C 13 179.610 0.01 . 1 . . . . 513 ASN C . 16733 1 968 . 1 1 94 94 ASN CA C 13 56.410 0.01 . 1 . . . . 513 ASN CA . 16733 1 969 . 1 1 94 94 ASN CB C 13 40.010 0.01 . 1 . . . . 513 ASN CB . 16733 1 970 . 1 1 94 94 ASN N N 15 120.300 0.01 . 1 . . . . 513 ASN N . 16733 1 971 . 1 1 94 94 ASN ND2 N 15 110.430 0.01 . 1 . . . . 513 ASN ND2 . 16733 1 972 . 1 1 95 95 VAL H H 1 7.893 0.001 . 1 . . . . 514 VAL H . 16733 1 973 . 1 1 95 95 VAL HA H 1 3.680 0.001 . 1 . . . . 514 VAL HA . 16733 1 974 . 1 1 95 95 VAL HB H 1 2.349 0.001 . 1 . . . . 514 VAL HB . 16733 1 975 . 1 1 95 95 VAL HG11 H 1 1.189 0.001 . 1 . . . . 514 VAL QG1 . 16733 1 976 . 1 1 95 95 VAL HG12 H 1 1.189 0.001 . 1 . . . . 514 VAL QG1 . 16733 1 977 . 1 1 95 95 VAL HG13 H 1 1.189 0.001 . 1 . . . . 514 VAL QG1 . 16733 1 978 . 1 1 95 95 VAL HG21 H 1 0.753 0.001 . 1 . . . . 514 VAL QG2 . 16733 1 979 . 1 1 95 95 VAL HG22 H 1 0.753 0.001 . 1 . . . . 514 VAL QG2 . 16733 1 980 . 1 1 95 95 VAL HG23 H 1 0.753 0.001 . 1 . . . . 514 VAL QG2 . 16733 1 981 . 1 1 95 95 VAL C C 13 177.700 0.01 . 1 . . . . 514 VAL C . 16733 1 982 . 1 1 95 95 VAL CA C 13 66.530 0.01 . 1 . . . . 514 VAL CA . 16733 1 983 . 1 1 95 95 VAL CB C 13 31.880 0.01 . 1 . . . . 514 VAL CB . 16733 1 984 . 1 1 95 95 VAL N N 15 122.100 0.01 . 1 . . . . 514 VAL N . 16733 1 985 . 1 1 96 96 TYR H H 1 7.434 0.001 . 1 . . . . 515 TYR H . 16733 1 986 . 1 1 96 96 TYR HA H 1 4.242 0.001 . 1 . . . . 515 TYR HA . 16733 1 987 . 1 1 96 96 TYR HB2 H 1 3.266 0.001 . 2 . . . . 515 TYR HB2 . 16733 1 988 . 1 1 96 96 TYR HB3 H 1 3.220 0.001 . 2 . . . . 515 TYR HB3 . 16733 1 989 . 1 1 96 96 TYR HD1 H 1 7.438 0.001 . 3 . . . . 515 TYR QD . 16733 1 990 . 1 1 96 96 TYR HD2 H 1 7.438 0.001 . 3 . . . . 515 TYR QD . 16733 1 991 . 1 1 96 96 TYR HE1 H 1 6.943 0.001 . 3 . . . . 515 TYR QE . 16733 1 992 . 1 1 96 96 TYR HE2 H 1 6.943 0.001 . 3 . . . . 515 TYR QE . 16733 1 993 . 1 1 96 96 TYR C C 13 174.730 0.01 . 1 . . . . 515 TYR C . 16733 1 994 . 1 1 96 96 TYR CA C 13 59.760 0.01 . 1 . . . . 515 TYR CA . 16733 1 995 . 1 1 96 96 TYR CB C 13 40.250 0.01 . 1 . . . . 515 TYR CB . 16733 1 996 . 1 1 96 96 TYR N N 15 117.750 0.01 . 1 . . . . 515 TYR N . 16733 1 997 . 1 1 97 97 GLY H H 1 7.782 0.001 . 1 . . . . 516 GLY H . 16733 1 998 . 1 1 97 97 GLY HA2 H 1 4.133 0.001 . 2 . . . . 516 GLY HA2 . 16733 1 999 . 1 1 97 97 GLY HA3 H 1 3.481 0.001 . 2 . . . . 516 GLY HA3 . 16733 1 1000 . 1 1 97 97 GLY C C 13 173.540 0.01 . 1 . . . . 516 GLY C . 16733 1 1001 . 1 1 97 97 GLY CA C 13 44.250 0.01 . 1 . . . . 516 GLY CA . 16733 1 1002 . 1 1 97 97 GLY N N 15 104.500 0.01 . 1 . . . . 516 GLY N . 16733 1 1003 . 1 1 98 98 PHE H H 1 7.594 0.001 . 1 . . . . 517 PHE H . 16733 1 1004 . 1 1 98 98 PHE HA H 1 4.863 0.001 . 1 . . . . 517 PHE HA . 16733 1 1005 . 1 1 98 98 PHE HB2 H 1 3.180 0.001 . 2 . . . . 517 PHE HB2 . 16733 1 1006 . 1 1 98 98 PHE HB3 H 1 2.805 0.001 . 2 . . . . 517 PHE HB3 . 16733 1 1007 . 1 1 98 98 PHE HD1 H 1 7.534 0.001 . 3 . . . . 517 PHE QD . 16733 1 1008 . 1 1 98 98 PHE HD2 H 1 7.534 0.001 . 3 . . . . 517 PHE QD . 16733 1 1009 . 1 1 98 98 PHE HE1 H 1 7.172 0.001 . 3 . . . . 517 PHE QE . 16733 1 1010 . 1 1 98 98 PHE HE2 H 1 7.172 0.001 . 3 . . . . 517 PHE QE . 16733 1 1011 . 1 1 98 98 PHE HZ H 1 7.029 0.001 . 1 . . . . 517 PHE HZ . 16733 1 1012 . 1 1 98 98 PHE C C 13 175.990 0.01 . 1 . . . . 517 PHE C . 16733 1 1013 . 1 1 98 98 PHE CA C 13 58.740 0.01 . 1 . . . . 517 PHE CA . 16733 1 1014 . 1 1 98 98 PHE CB C 13 39.600 0.01 . 1 . . . . 517 PHE CB . 16733 1 1015 . 1 1 98 98 PHE N N 15 120.320 0.01 . 1 . . . . 517 PHE N . 16733 1 1016 . 1 1 99 99 THR H H 1 8.212 0.001 . 1 . . . . 518 THR H . 16733 1 1017 . 1 1 99 99 THR HA H 1 4.280 0.001 . 1 . . . . 518 THR HA . 16733 1 1018 . 1 1 99 99 THR HB H 1 4.910 0.001 . 1 . . . . 518 THR HB . 16733 1 1019 . 1 1 99 99 THR HG21 H 1 1.072 0.001 . 1 . . . . 518 THR QG2 . 16733 1 1020 . 1 1 99 99 THR HG22 H 1 1.072 0.001 . 1 . . . . 518 THR QG2 . 16733 1 1021 . 1 1 99 99 THR HG23 H 1 1.072 0.001 . 1 . . . . 518 THR QG2 . 16733 1 1022 . 1 1 99 99 THR C C 13 173.760 0.01 . 1 . . . . 518 THR C . 16733 1 1023 . 1 1 99 99 THR CA C 13 61.600 0.01 . 1 . . . . 518 THR CA . 16733 1 1024 . 1 1 99 99 THR CB C 13 71.790 0.01 . 1 . . . . 518 THR CB . 16733 1 1025 . 1 1 99 99 THR N N 15 109.600 0.01 . 1 . . . . 518 THR N . 16733 1 1026 . 1 1 100 100 LYS H H 1 7.855 0.001 . 1 . . . . 519 LYS H . 16733 1 1027 . 1 1 100 100 LYS HA H 1 4.272 0.001 . 1 . . . . 519 LYS HA . 16733 1 1028 . 1 1 100 100 LYS HB2 H 1 1.663 0.001 . 2 . . . . 519 LYS HB2 . 16733 1 1029 . 1 1 100 100 LYS HB3 H 1 1.525 0.001 . 2 . . . . 519 LYS HB3 . 16733 1 1030 . 1 1 100 100 LYS HD2 H 1 1.464 0.001 . 2 . . . . 519 LYS HD2 . 16733 1 1031 . 1 1 100 100 LYS HE2 H 1 2.980 0.001 . 2 . . . . 519 LYS HE2 . 16733 1 1032 . 1 1 100 100 LYS HG2 H 1 1.326 0.001 . 2 . . . . 519 LYS HG2 . 16733 1 1033 . 1 1 100 100 LYS HG3 H 1 1.181 0.001 . 2 . . . . 519 LYS HG3 . 16733 1 1034 . 1 1 100 100 LYS C C 13 173.380 0.01 . 1 . . . . 519 LYS C . 16733 1 1035 . 1 1 100 100 LYS CA C 13 55.620 0.01 . 1 . . . . 519 LYS CA . 16733 1 1036 . 1 1 100 100 LYS CB C 13 34.150 0.01 . 1 . . . . 519 LYS CB . 16733 1 1037 . 1 1 100 100 LYS N N 15 125.060 0.01 . 1 . . . . 519 LYS N . 16733 1 1038 . 1 1 101 101 PHE H H 1 8.308 0.001 . 1 . . . . 520 PHE H . 16733 1 1039 . 1 1 101 101 PHE HA H 1 6.048 0.001 . 1 . . . . 520 PHE HA . 16733 1 1040 . 1 1 101 101 PHE HB2 H 1 3.310 0.001 . 2 . . . . 520 PHE HB2 . 16733 1 1041 . 1 1 101 101 PHE HB3 H 1 2.683 0.001 . 2 . . . . 520 PHE HB3 . 16733 1 1042 . 1 1 101 101 PHE HD1 H 1 7.195 0.001 . 3 . . . . 520 PHE QD . 16733 1 1043 . 1 1 101 101 PHE HD2 H 1 7.195 0.001 . 3 . . . . 520 PHE QD . 16733 1 1044 . 1 1 101 101 PHE HE1 H 1 7.080 0.001 . 3 . . . . 520 PHE QE . 16733 1 1045 . 1 1 101 101 PHE HE2 H 1 7.080 0.001 . 3 . . . . 520 PHE QE . 16733 1 1046 . 1 1 101 101 PHE C C 13 175.640 0.01 . 1 . . . . 520 PHE C . 16733 1 1047 . 1 1 101 101 PHE CA C 13 54.790 0.01 . 1 . . . . 520 PHE CA . 16733 1 1048 . 1 1 101 101 PHE CB C 13 43.420 0.01 . 1 . . . . 520 PHE CB . 16733 1 1049 . 1 1 101 101 PHE N N 15 121.050 0.01 . 1 . . . . 520 PHE N . 16733 1 1050 . 1 1 102 102 SER H H 1 8.768 0.001 . 1 . . . . 521 SER H . 16733 1 1051 . 1 1 102 102 SER HA H 1 4.745 0.001 . 1 . . . . 521 SER HA . 16733 1 1052 . 1 1 102 102 SER HB2 H 1 4.008 0.001 . 2 . . . . 521 SER HB2 . 16733 1 1053 . 1 1 102 102 SER HB3 H 1 3.612 0.001 . 2 . . . . 521 SER HB3 . 16733 1 1054 . 1 1 102 102 SER C C 13 173.610 0.01 . 1 . . . . 521 SER C . 16733 1 1055 . 1 1 102 102 SER CA C 13 56.820 0.01 . 1 . . . . 521 SER CA . 16733 1 1056 . 1 1 102 102 SER CB C 13 65.700 0.01 . 1 . . . . 521 SER CB . 16733 1 1057 . 1 1 102 102 SER N N 15 118.350 0.01 . 1 . . . . 521 SER N . 16733 1 1058 . 1 1 103 103 GLN H H 1 8.793 0.001 . 1 . . . . 522 GLN H . 16733 1 1059 . 1 1 103 103 GLN HA H 1 5.540 0.001 . 1 . . . . 522 GLN HA . 16733 1 1060 . 1 1 103 103 GLN HB2 H 1 1.989 0.001 . 2 . . . . 522 GLN HB2 . 16733 1 1061 . 1 1 103 103 GLN HB3 H 1 1.889 0.001 . 2 . . . . 522 GLN HB3 . 16733 1 1062 . 1 1 103 103 GLN HE21 H 1 7.500 0.001 . 2 . . . . 522 GLN HE21 . 16733 1 1063 . 1 1 103 103 GLN HE22 H 1 6.831 0.001 . 2 . . . . 522 GLN HE22 . 16733 1 1064 . 1 1 103 103 GLN HG2 H 1 2.240 0.001 . 2 . . . . 522 GLN HG2 . 16733 1 1065 . 1 1 103 103 GLN HG3 H 1 2.145 0.001 . 2 . . . . 522 GLN HG3 . 16733 1 1066 . 1 1 103 103 GLN C C 13 174.430 0.01 . 1 . . . . 522 GLN C . 16733 1 1067 . 1 1 103 103 GLN CA C 13 55.540 0.01 . 1 . . . . 522 GLN CA . 16733 1 1068 . 1 1 103 103 GLN CB C 13 33.180 0.01 . 1 . . . . 522 GLN CB . 16733 1 1069 . 1 1 103 103 GLN N N 15 120.000 0.01 . 1 . . . . 522 GLN N . 16733 1 1070 . 1 1 103 103 GLN NE2 N 15 111.020 0.01 . 1 . . . . 522 GLN NE2 . 16733 1 1071 . 1 1 104 104 ALA H H 1 8.837 0.001 . 1 . . . . 523 ALA H . 16733 1 1072 . 1 1 104 104 ALA HA H 1 4.656 0.001 . 1 . . . . 523 ALA HA . 16733 1 1073 . 1 1 104 104 ALA HB1 H 1 1.205 0.001 . 1 . . . . 523 ALA QB . 16733 1 1074 . 1 1 104 104 ALA HB2 H 1 1.205 0.001 . 1 . . . . 523 ALA QB . 16733 1 1075 . 1 1 104 104 ALA HB3 H 1 1.205 0.001 . 1 . . . . 523 ALA QB . 16733 1 1076 . 1 1 104 104 ALA C C 13 175.630 0.01 . 1 . . . . 523 ALA C . 16733 1 1077 . 1 1 104 104 ALA CA C 13 50.990 0.01 . 1 . . . . 523 ALA CA . 16733 1 1078 . 1 1 104 104 ALA CB C 13 22.200 0.01 . 1 . . . . 523 ALA CB . 16733 1 1079 . 1 1 104 104 ALA N N 15 127.090 0.01 . 1 . . . . 523 ALA N . 16733 1 1080 . 1 1 105 105 SER H H 1 8.758 0.001 . 1 . . . . 524 SER H . 16733 1 1081 . 1 1 105 105 SER HA H 1 5.304 0.001 . 1 . . . . 524 SER HA . 16733 1 1082 . 1 1 105 105 SER HB2 H 1 4.431 0.001 . 2 . . . . 524 SER HB2 . 16733 1 1083 . 1 1 105 105 SER HB3 H 1 3.716 0.001 . 2 . . . . 524 SER HB3 . 16733 1 1084 . 1 1 105 105 SER C C 13 174.880 0.01 . 1 . . . . 524 SER C . 16733 1 1085 . 1 1 105 105 SER CA C 13 57.690 0.01 . 1 . . . . 524 SER CA . 16733 1 1086 . 1 1 105 105 SER CB C 13 64.400 0.01 . 1 . . . . 524 SER CB . 16733 1 1087 . 1 1 105 105 SER N N 15 118.800 0.01 . 1 . . . . 524 SER N . 16733 1 1088 . 1 1 106 106 VAL H H 1 8.775 0.001 . 1 . . . . 525 VAL H . 16733 1 1089 . 1 1 106 106 VAL HA H 1 4.666 0.001 . 1 . . . . 525 VAL HA . 16733 1 1090 . 1 1 106 106 VAL HB H 1 2.054 0.001 . 1 . . . . 525 VAL HB . 16733 1 1091 . 1 1 106 106 VAL HG11 H 1 0.710 0.001 . 1 . . . . 525 VAL QG1 . 16733 1 1092 . 1 1 106 106 VAL HG12 H 1 0.710 0.001 . 1 . . . . 525 VAL QG1 . 16733 1 1093 . 1 1 106 106 VAL HG13 H 1 0.710 0.001 . 1 . . . . 525 VAL QG1 . 16733 1 1094 . 1 1 106 106 VAL HG21 H 1 0.595 0.001 . 1 . . . . 525 VAL QG2 . 16733 1 1095 . 1 1 106 106 VAL HG22 H 1 0.595 0.001 . 1 . . . . 525 VAL QG2 . 16733 1 1096 . 1 1 106 106 VAL HG23 H 1 0.595 0.001 . 1 . . . . 525 VAL QG2 . 16733 1 1097 . 1 1 106 106 VAL C C 13 174.140 0.01 . 1 . . . . 525 VAL C . 16733 1 1098 . 1 1 106 106 VAL CA C 13 59.040 0.01 . 1 . . . . 525 VAL CA . 16733 1 1099 . 1 1 106 106 VAL CB C 13 35.860 0.01 . 1 . . . . 525 VAL CB . 16733 1 1100 . 1 1 106 106 VAL N N 15 119.380 0.01 . 1 . . . . 525 VAL N . 16733 1 1101 . 1 1 107 107 ASP H H 1 8.475 0.001 . 1 . . . . 526 ASP H . 16733 1 1102 . 1 1 107 107 ASP HA H 1 4.739 0.001 . 1 . . . . 526 ASP HA . 16733 1 1103 . 1 1 107 107 ASP HB2 H 1 2.619 0.001 . 2 . . . . 526 ASP HB2 . 16733 1 1104 . 1 1 107 107 ASP HB3 H 1 2.500 0.001 . 2 . . . . 526 ASP HB3 . 16733 1 1105 . 1 1 107 107 ASP C C 13 175.640 0.01 . 1 . . . . 526 ASP C . 16733 1 1106 . 1 1 107 107 ASP CA C 13 54.600 0.01 . 1 . . . . 526 ASP CA . 16733 1 1107 . 1 1 107 107 ASP CB C 13 40.900 0.01 . 1 . . . . 526 ASP CB . 16733 1 1108 . 1 1 107 107 ASP N N 15 121.940 0.01 . 1 . . . . 526 ASP N . 16733 1 1109 . 1 1 108 108 SER H H 1 8.368 0.001 . 1 . . . . 527 SER H . 16733 1 1110 . 1 1 108 108 SER HA H 1 4.972 0.001 . 1 . . . . 527 SER HA . 16733 1 1111 . 1 1 108 108 SER HB2 H 1 3.990 0.001 . 2 . . . . 527 SER HB2 . 16733 1 1112 . 1 1 108 108 SER HB3 H 1 3.666 0.001 . 2 . . . . 527 SER HB3 . 16733 1 1113 . 1 1 108 108 SER C C 13 172.420 0.01 . 1 . . . . 527 SER C . 16733 1 1114 . 1 1 108 108 SER CA C 13 55.690 0.01 . 1 . . . . 527 SER CA . 16733 1 1115 . 1 1 108 108 SER CB C 13 65.780 0.01 . 1 . . . . 527 SER CB . 16733 1 1116 . 1 1 108 108 SER N N 15 120.490 0.01 . 1 . . . . 527 SER N . 16733 1 1117 . 1 1 109 109 PRO HA H 1 4.420 0.001 . 1 . . . . 528 PRO HA . 16733 1 1118 . 1 1 109 109 PRO HB2 H 1 2.259 0.001 . 2 . . . . 528 PRO HB2 . 16733 1 1119 . 1 1 109 109 PRO HB3 H 1 1.831 0.001 . 2 . . . . 528 PRO HB3 . 16733 1 1120 . 1 1 109 109 PRO HD2 H 1 3.529 0.001 . 2 . . . . 528 PRO HD2 . 16733 1 1121 . 1 1 109 109 PRO HD3 H 1 3.431 0.001 . 2 . . . . 528 PRO HD3 . 16733 1 1122 . 1 1 109 109 PRO HG2 H 1 2.034 0.001 . 2 . . . . 528 PRO HG2 . 16733 1 1123 . 1 1 109 109 PRO HG3 H 1 1.992 0.001 . 2 . . . . 528 PRO HG3 . 16733 1 1124 . 1 1 109 109 PRO C C 13 177.940 0.01 . 1 . . . . 528 PRO C . 16733 1 1125 . 1 1 109 109 PRO CA C 13 62.540 0.01 . 1 . . . . 528 PRO CA . 16733 1 1126 . 1 1 109 109 PRO CB C 13 32.200 0.01 . 1 . . . . 528 PRO CB . 16733 1 1127 . 1 1 110 110 ARG H H 1 8.372 0.001 . 1 . . . . 529 ARG H . 16733 1 1128 . 1 1 110 110 ARG HA H 1 4.268 0.001 . 1 . . . . 529 ARG HA . 16733 1 1129 . 1 1 110 110 ARG HB2 H 1 1.396 0.001 . 2 . . . . 529 ARG HB2 . 16733 1 1130 . 1 1 110 110 ARG HB3 H 1 1.276 0.001 . 2 . . . . 529 ARG HB3 . 16733 1 1131 . 1 1 110 110 ARG HD2 H 1 3.227 0.001 . 2 . . . . 529 ARG HD2 . 16733 1 1132 . 1 1 110 110 ARG HD3 H 1 2.957 0.001 . 2 . . . . 529 ARG HD3 . 16733 1 1133 . 1 1 110 110 ARG HE H 1 7.829 0.001 . 1 . . . . 529 ARG HE . 16733 1 1134 . 1 1 110 110 ARG HG2 H 1 1.674 0.001 . 2 . . . . 529 ARG HG2 . 16733 1 1135 . 1 1 110 110 ARG HG3 H 1 1.621 0.001 . 2 . . . . 529 ARG HG3 . 16733 1 1136 . 1 1 110 110 ARG C C 13 174.110 0.01 . 1 . . . . 529 ARG C . 16733 1 1137 . 1 1 110 110 ARG CA C 13 58.780 0.01 . 1 . . . . 529 ARG CA . 16733 1 1138 . 1 1 110 110 ARG CB C 13 28.380 0.01 . 1 . . . . 529 ARG CB . 16733 1 1139 . 1 1 110 110 ARG N N 15 120.270 0.01 . 1 . . . . 529 ARG N . 16733 1 1140 . 1 1 110 110 ARG NE N 15 83.730 0.01 . 1 . . . . 529 ARG NE . 16733 1 1141 . 1 1 111 111 PRO HA H 1 4.155 0.001 . 1 . . . . 530 PRO HA . 16733 1 1142 . 1 1 111 111 PRO HB2 H 1 2.280 0.001 . 2 . . . . 530 PRO HB2 . 16733 1 1143 . 1 1 111 111 PRO HB3 H 1 1.614 0.001 . 2 . . . . 530 PRO HB3 . 16733 1 1144 . 1 1 111 111 PRO HD2 H 1 3.571 0.001 . 2 . . . . 530 PRO HD2 . 16733 1 1145 . 1 1 111 111 PRO HD3 H 1 3.534 0.001 . 2 . . . . 530 PRO HD3 . 16733 1 1146 . 1 1 111 111 PRO HG2 H 1 1.969 0.001 . 2 . . . . 530 PRO HG2 . 16733 1 1147 . 1 1 111 111 PRO HG3 H 1 1.934 0.001 . 2 . . . . 530 PRO HG3 . 16733 1 1148 . 1 1 111 111 PRO C C 13 176.210 0.01 . 1 . . . . 530 PRO C . 16733 1 1149 . 1 1 111 111 PRO CA C 13 63.480 0.01 . 1 . . . . 530 PRO CA . 16733 1 1150 . 1 1 111 111 PRO CB C 13 32.440 0.01 . 1 . . . . 530 PRO CB . 16733 1 1151 . 1 1 112 112 ALA H H 1 8.155 0.001 . 1 . . . . 531 ALA H . 16733 1 1152 . 1 1 112 112 ALA HA H 1 3.868 0.001 . 1 . . . . 531 ALA HA . 16733 1 1153 . 1 1 112 112 ALA HB1 H 1 1.298 0.001 . 1 . . . . 531 ALA QB . 16733 1 1154 . 1 1 112 112 ALA HB2 H 1 1.298 0.001 . 1 . . . . 531 ALA QB . 16733 1 1155 . 1 1 112 112 ALA HB3 H 1 1.298 0.001 . 1 . . . . 531 ALA QB . 16733 1 1156 . 1 1 112 112 ALA C C 13 179.840 0.01 . 1 . . . . 531 ALA C . 16733 1 1157 . 1 1 112 112 ALA CA C 13 53.060 0.01 . 1 . . . . 531 ALA CA . 16733 1 1158 . 1 1 112 112 ALA CB C 13 18.870 0.01 . 1 . . . . 531 ALA CB . 16733 1 1159 . 1 1 112 112 ALA N N 15 124.160 0.01 . 1 . . . . 531 ALA N . 16733 1 1160 . 1 1 113 113 GLY H H 1 9.041 0.001 . 1 . . . . 532 GLY H . 16733 1 1161 . 1 1 113 113 GLY HA2 H 1 4.326 0.001 . 2 . . . . 532 GLY HA2 . 16733 1 1162 . 1 1 113 113 GLY HA3 H 1 3.419 0.001 . 2 . . . . 532 GLY HA3 . 16733 1 1163 . 1 1 113 113 GLY C C 13 173.840 0.01 . 1 . . . . 532 GLY C . 16733 1 1164 . 1 1 113 113 GLY CA C 13 44.930 0.01 . 1 . . . . 532 GLY CA . 16733 1 1165 . 1 1 113 113 GLY N N 15 110.260 0.01 . 1 . . . . 532 GLY N . 16733 1 1166 . 1 1 114 114 GLU H H 1 7.893 0.001 . 1 . . . . 533 GLU H . 16733 1 1167 . 1 1 114 114 GLU HA H 1 4.184 0.001 . 1 . . . . 533 GLU HA . 16733 1 1168 . 1 1 114 114 GLU HB2 H 1 1.866 0.001 . 2 . . . . 533 GLU HB2 . 16733 1 1169 . 1 1 114 114 GLU HB3 H 1 1.687 0.001 . 2 . . . . 533 GLU HB3 . 16733 1 1170 . 1 1 114 114 GLU HG2 H 1 2.169 0.001 . 2 . . . . 533 GLU HG2 . 16733 1 1171 . 1 1 114 114 GLU HG3 H 1 1.921 0.001 . 2 . . . . 533 GLU HG3 . 16733 1 1172 . 1 1 114 114 GLU C C 13 175.720 0.01 . 1 . . . . 533 GLU C . 16733 1 1173 . 1 1 114 114 GLU CA C 13 56.440 0.01 . 1 . . . . 533 GLU CA . 16733 1 1174 . 1 1 114 114 GLU CB C 13 31.140 0.01 . 1 . . . . 533 GLU CB . 16733 1 1175 . 1 1 114 114 GLU N N 15 119.760 0.01 . 1 . . . . 533 GLU N . 16733 1 1176 . 1 1 115 115 VAL H H 1 9.167 0.001 . 1 . . . . 534 VAL H . 16733 1 1177 . 1 1 115 115 VAL HA H 1 4.449 0.001 . 1 . . . . 534 VAL HA . 16733 1 1178 . 1 1 115 115 VAL HB H 1 2.194 0.001 . 1 . . . . 534 VAL HB . 16733 1 1179 . 1 1 115 115 VAL HG11 H 1 0.867 0.001 . 1 . . . . 534 VAL QG1 . 16733 1 1180 . 1 1 115 115 VAL HG12 H 1 0.867 0.001 . 1 . . . . 534 VAL QG1 . 16733 1 1181 . 1 1 115 115 VAL HG13 H 1 0.867 0.001 . 1 . . . . 534 VAL QG1 . 16733 1 1182 . 1 1 115 115 VAL HG21 H 1 0.810 0.001 . 1 . . . . 534 VAL QG2 . 16733 1 1183 . 1 1 115 115 VAL HG22 H 1 0.810 0.001 . 1 . . . . 534 VAL QG2 . 16733 1 1184 . 1 1 115 115 VAL HG23 H 1 0.810 0.001 . 1 . . . . 534 VAL QG2 . 16733 1 1185 . 1 1 115 115 VAL C C 13 177.260 0.01 . 1 . . . . 534 VAL C . 16733 1 1186 . 1 1 115 115 VAL CA C 13 62.920 0.01 . 1 . . . . 534 VAL CA . 16733 1 1187 . 1 1 115 115 VAL CB C 13 31.880 0.01 . 1 . . . . 534 VAL CB . 16733 1 1188 . 1 1 115 115 VAL N N 15 124.860 0.01 . 1 . . . . 534 VAL N . 16733 1 1189 . 1 1 116 116 THR H H 1 9.595 0.001 . 1 . . . . 535 THR H . 16733 1 1190 . 1 1 116 116 THR HA H 1 4.412 0.001 . 1 . . . . 535 THR HA . 16733 1 1191 . 1 1 116 116 THR HB H 1 4.189 0.001 . 1 . . . . 535 THR HB . 16733 1 1192 . 1 1 116 116 THR HG21 H 1 1.026 0.001 . 1 . . . . 535 THR QG2 . 16733 1 1193 . 1 1 116 116 THR HG22 H 1 1.026 0.001 . 1 . . . . 535 THR QG2 . 16733 1 1194 . 1 1 116 116 THR HG23 H 1 1.026 0.001 . 1 . . . . 535 THR QG2 . 16733 1 1195 . 1 1 116 116 THR C C 13 174.920 0.01 . 1 . . . . 535 THR C . 16733 1 1196 . 1 1 116 116 THR CA C 13 61.790 0.01 . 1 . . . . 535 THR CA . 16733 1 1197 . 1 1 116 116 THR CB C 13 68.790 0.01 . 1 . . . . 535 THR CB . 16733 1 1198 . 1 1 116 116 THR N N 15 120.320 0.01 . 1 . . . . 535 THR N . 16733 1 1199 . 1 1 117 117 GLY H H 1 7.664 0.001 . 1 . . . . 536 GLY H . 16733 1 1200 . 1 1 117 117 GLY HA2 H 1 4.327 0.001 . 2 . . . . 536 GLY HA2 . 16733 1 1201 . 1 1 117 117 GLY HA3 H 1 4.253 0.001 . 2 . . . . 536 GLY HA3 . 16733 1 1202 . 1 1 117 117 GLY C C 13 170.670 0.01 . 1 . . . . 536 GLY C . 16733 1 1203 . 1 1 117 117 GLY CA C 13 44.210 0.01 . 1 . . . . 536 GLY CA . 16733 1 1204 . 1 1 117 117 GLY N N 15 111.210 0.01 . 1 . . . . 536 GLY N . 16733 1 1205 . 1 1 118 118 THR H H 1 8.332 0.001 . 1 . . . . 537 THR H . 16733 1 1206 . 1 1 118 118 THR HA H 1 5.309 0.001 . 1 . . . . 537 THR HA . 16733 1 1207 . 1 1 118 118 THR HB H 1 4.033 0.001 . 1 . . . . 537 THR HB . 16733 1 1208 . 1 1 118 118 THR HG1 H 1 5.836 0.001 . 1 . . . . 537 THR HG1 . 16733 1 1209 . 1 1 118 118 THR HG21 H 1 0.877 0.001 . 1 . . . . 537 THR QG2 . 16733 1 1210 . 1 1 118 118 THR HG22 H 1 0.877 0.001 . 1 . . . . 537 THR QG2 . 16733 1 1211 . 1 1 118 118 THR HG23 H 1 0.877 0.001 . 1 . . . . 537 THR QG2 . 16733 1 1212 . 1 1 118 118 THR C C 13 174.120 0.01 . 1 . . . . 537 THR C . 16733 1 1213 . 1 1 118 118 THR CA C 13 59.380 0.01 . 1 . . . . 537 THR CA . 16733 1 1214 . 1 1 118 118 THR CB C 13 73.580 0.01 . 1 . . . . 537 THR CB . 16733 1 1215 . 1 1 118 118 THR N N 15 107.510 0.01 . 1 . . . . 537 THR N . 16733 1 1216 . 1 1 119 119 ASN H H 1 8.832 0.001 . 1 . . . . 538 ASN H . 16733 1 1217 . 1 1 119 119 ASN HA H 1 4.672 0.001 . 1 . . . . 538 ASN HA . 16733 1 1218 . 1 1 119 119 ASN HB2 H 1 2.817 0.001 . 2 . . . . 538 ASN HB2 . 16733 1 1219 . 1 1 119 119 ASN HB3 H 1 2.460 0.001 . 2 . . . . 538 ASN HB3 . 16733 1 1220 . 1 1 119 119 ASN HD21 H 1 7.531 0.001 . 2 . . . . 538 ASN HD21 . 16733 1 1221 . 1 1 119 119 ASN HD22 H 1 6.839 0.001 . 2 . . . . 538 ASN HD22 . 16733 1 1222 . 1 1 119 119 ASN C C 13 173.460 0.01 . 1 . . . . 538 ASN C . 16733 1 1223 . 1 1 119 119 ASN CA C 13 50.460 0.01 . 1 . . . . 538 ASN CA . 16733 1 1224 . 1 1 119 119 ASN CB C 13 41.960 0.01 . 1 . . . . 538 ASN CB . 16733 1 1225 . 1 1 119 119 ASN N N 15 117.450 0.01 . 1 . . . . 538 ASN N . 16733 1 1226 . 1 1 119 119 ASN ND2 N 15 112.440 0.01 . 1 . . . . 538 ASN ND2 . 16733 1 1227 . 1 1 120 120 PRO HD2 H 1 4.310 0.001 . 2 . . . . 539 PRO HD2 . 16733 1 1228 . 1 1 120 120 PRO HD3 H 1 4.180 0.001 . 2 . . . . 539 PRO HD3 . 16733 1 1229 . 1 1 121 121 PRO HA H 1 4.725 0.001 . 1 . . . . 540 PRO HA . 16733 1 1230 . 1 1 121 121 PRO HB2 H 1 2.361 0.001 . 2 . . . . 540 PRO HB2 . 16733 1 1231 . 1 1 121 121 PRO HB3 H 1 1.764 0.001 . 2 . . . . 540 PRO HB3 . 16733 1 1232 . 1 1 121 121 PRO HG2 H 1 1.987 0.001 . 2 . . . . 540 PRO HG2 . 16733 1 1233 . 1 1 121 121 PRO HG3 H 1 1.987 0.001 . 2 . . . . 540 PRO HG3 . 16733 1 1234 . 1 1 121 121 PRO C C 13 177.030 0.01 . 1 . . . . 540 PRO C . 16733 1 1235 . 1 1 121 121 PRO CA C 13 62.320 0.01 . 1 . . . . 540 PRO CA . 16733 1 1236 . 1 1 121 121 PRO CB C 13 33.500 0.01 . 1 . . . . 540 PRO CB . 16733 1 1237 . 1 1 122 122 ALA H H 1 8.599 0.001 . 1 . . . . 541 ALA H . 16733 1 1238 . 1 1 122 122 ALA HA H 1 3.658 0.001 . 1 . . . . 541 ALA HA . 16733 1 1239 . 1 1 122 122 ALA HB1 H 1 1.333 0.001 . 1 . . . . 541 ALA QB . 16733 1 1240 . 1 1 122 122 ALA HB2 H 1 1.333 0.001 . 1 . . . . 541 ALA QB . 16733 1 1241 . 1 1 122 122 ALA HB3 H 1 1.333 0.001 . 1 . . . . 541 ALA QB . 16733 1 1242 . 1 1 122 122 ALA C C 13 178.230 0.01 . 1 . . . . 541 ALA C . 16733 1 1243 . 1 1 122 122 ALA CA C 13 53.620 0.01 . 1 . . . . 541 ALA CA . 16733 1 1244 . 1 1 122 122 ALA CB C 13 18.050 0.01 . 1 . . . . 541 ALA CB . 16733 1 1245 . 1 1 122 122 ALA N N 15 123.110 0.01 . 1 . . . . 541 ALA N . 16733 1 1246 . 1 1 123 123 GLY H H 1 9.476 0.001 . 1 . . . . 542 GLY H . 16733 1 1247 . 1 1 123 123 GLY HA2 H 1 4.305 0.001 . 2 . . . . 542 GLY HA2 . 16733 1 1248 . 1 1 123 123 GLY HA3 H 1 3.646 0.001 . 2 . . . . 542 GLY HA3 . 16733 1 1249 . 1 1 123 123 GLY C C 13 174.260 0.01 . 1 . . . . 542 GLY C . 16733 1 1250 . 1 1 123 123 GLY CA C 13 44.930 0.01 . 1 . . . . 542 GLY CA . 16733 1 1251 . 1 1 123 123 GLY N N 15 111.140 0.01 . 1 . . . . 542 GLY N . 16733 1 1252 . 1 1 124 124 THR H H 1 7.679 0.001 . 1 . . . . 543 THR H . 16733 1 1253 . 1 1 124 124 THR HA H 1 4.146 0.001 . 1 . . . . 543 THR HA . 16733 1 1254 . 1 1 124 124 THR HB H 1 3.885 0.001 . 1 . . . . 543 THR HB . 16733 1 1255 . 1 1 124 124 THR HG21 H 1 1.231 0.001 . 1 . . . . 543 THR QG2 . 16733 1 1256 . 1 1 124 124 THR HG22 H 1 1.231 0.001 . 1 . . . . 543 THR QG2 . 16733 1 1257 . 1 1 124 124 THR HG23 H 1 1.231 0.001 . 1 . . . . 543 THR QG2 . 16733 1 1258 . 1 1 124 124 THR C C 13 173.520 0.01 . 1 . . . . 543 THR C . 16733 1 1259 . 1 1 124 124 THR CA C 13 63.820 0.01 . 1 . . . . 543 THR CA . 16733 1 1260 . 1 1 124 124 THR CB C 13 69.520 0.01 . 1 . . . . 543 THR CB . 16733 1 1261 . 1 1 124 124 THR N N 15 117.450 0.01 . 1 . . . . 543 THR N . 16733 1 1262 . 1 1 125 125 THR H H 1 8.838 0.001 . 1 . . . . 544 THR H . 16733 1 1263 . 1 1 125 125 THR HA H 1 4.770 0.001 . 1 . . . . 544 THR HA . 16733 1 1264 . 1 1 125 125 THR HB H 1 3.919 0.001 . 1 . . . . 544 THR HB . 16733 1 1265 . 1 1 125 125 THR HG21 H 1 1.039 0.001 . 1 . . . . 544 THR QG2 . 16733 1 1266 . 1 1 125 125 THR HG22 H 1 1.039 0.001 . 1 . . . . 544 THR QG2 . 16733 1 1267 . 1 1 125 125 THR HG23 H 1 1.039 0.001 . 1 . . . . 544 THR QG2 . 16733 1 1268 . 1 1 125 125 THR C C 13 174.560 0.01 . 1 . . . . 544 THR C . 16733 1 1269 . 1 1 125 125 THR CA C 13 63.110 0.01 . 1 . . . . 544 THR CA . 16733 1 1270 . 1 1 125 125 THR CB C 13 68.790 0.01 . 1 . . . . 544 THR CB . 16733 1 1271 . 1 1 125 125 THR N N 15 125.080 0.01 . 1 . . . . 544 THR N . 16733 1 1272 . 1 1 126 126 VAL H H 1 8.759 0.001 . 1 . . . . 545 VAL H . 16733 1 1273 . 1 1 126 126 VAL HA H 1 5.038 0.001 . 1 . . . . 545 VAL HA . 16733 1 1274 . 1 1 126 126 VAL HB H 1 1.952 0.001 . 1 . . . . 545 VAL HB . 16733 1 1275 . 1 1 126 126 VAL HG11 H 1 1.047 0.001 . 1 . . . . 545 VAL QG1 . 16733 1 1276 . 1 1 126 126 VAL HG12 H 1 1.047 0.001 . 1 . . . . 545 VAL QG1 . 16733 1 1277 . 1 1 126 126 VAL HG13 H 1 1.047 0.001 . 1 . . . . 545 VAL QG1 . 16733 1 1278 . 1 1 126 126 VAL HG21 H 1 0.881 0.001 . 1 . . . . 545 VAL QG2 . 16733 1 1279 . 1 1 126 126 VAL HG22 H 1 0.881 0.001 . 1 . . . . 545 VAL QG2 . 16733 1 1280 . 1 1 126 126 VAL HG23 H 1 0.881 0.001 . 1 . . . . 545 VAL QG2 . 16733 1 1281 . 1 1 126 126 VAL C C 13 173.080 0.01 . 1 . . . . 545 VAL C . 16733 1 1282 . 1 1 126 126 VAL CA C 13 58.060 0.01 . 1 . . . . 545 VAL CA . 16733 1 1283 . 1 1 126 126 VAL CB C 13 34.150 0.01 . 1 . . . . 545 VAL CB . 16733 1 1284 . 1 1 126 126 VAL N N 15 121.210 0.01 . 1 . . . . 545 VAL N . 16733 1 1285 . 1 1 127 127 PRO HA H 1 4.900 0.001 . 1 . . . . 546 PRO HA . 16733 1 1286 . 1 1 127 127 PRO HB2 H 1 2.591 0.001 . 2 . . . . 546 PRO HB2 . 16733 1 1287 . 1 1 127 127 PRO HB3 H 1 2.172 0.001 . 2 . . . . 546 PRO HB3 . 16733 1 1288 . 1 1 127 127 PRO HD2 H 1 3.916 0.001 . 2 . . . . 546 PRO HD2 . 16733 1 1289 . 1 1 127 127 PRO HD3 H 1 3.828 0.001 . 2 . . . . 546 PRO HD3 . 16733 1 1290 . 1 1 127 127 PRO HG2 H 1 2.400 0.001 . 2 . . . . 546 PRO HG2 . 16733 1 1291 . 1 1 127 127 PRO HG3 H 1 2.288 0.001 . 2 . . . . 546 PRO HG3 . 16733 1 1292 . 1 1 127 127 PRO C C 13 179.980 0.01 . 1 . . . . 546 PRO C . 16733 1 1293 . 1 1 127 127 PRO CA C 13 62.540 0.01 . 1 . . . . 546 PRO CA . 16733 1 1294 . 1 1 127 127 PRO CB C 13 32.360 0.01 . 1 . . . . 546 PRO CB . 16733 1 1295 . 1 1 128 128 VAL H H 1 8.599 0.001 . 1 . . . . 547 VAL H . 16733 1 1296 . 1 1 128 128 VAL HA H 1 4.026 0.001 . 1 . . . . 547 VAL HA . 16733 1 1297 . 1 1 128 128 VAL HB H 1 1.908 0.001 . 1 . . . . 547 VAL HB . 16733 1 1298 . 1 1 128 128 VAL HG11 H 1 0.741 0.001 . 1 . . . . 547 VAL QG1 . 16733 1 1299 . 1 1 128 128 VAL HG12 H 1 0.741 0.001 . 1 . . . . 547 VAL QG1 . 16733 1 1300 . 1 1 128 128 VAL HG13 H 1 0.741 0.001 . 1 . . . . 547 VAL QG1 . 16733 1 1301 . 1 1 128 128 VAL HG21 H 1 0.571 0.001 . 1 . . . . 547 VAL QG2 . 16733 1 1302 . 1 1 128 128 VAL HG22 H 1 0.571 0.001 . 1 . . . . 547 VAL QG2 . 16733 1 1303 . 1 1 128 128 VAL HG23 H 1 0.571 0.001 . 1 . . . . 547 VAL QG2 . 16733 1 1304 . 1 1 128 128 VAL C C 13 175.470 0.01 . 1 . . . . 547 VAL C . 16733 1 1305 . 1 1 128 128 VAL CA C 13 64.420 0.01 . 1 . . . . 547 VAL CA . 16733 1 1306 . 1 1 128 128 VAL CB C 13 31.310 0.01 . 1 . . . . 547 VAL CB . 16733 1 1307 . 1 1 128 128 VAL N N 15 121.510 0.01 . 1 . . . . 547 VAL N . 16733 1 1308 . 1 1 129 129 ASP H H 1 8.062 0.001 . 1 . . . . 548 ASP H . 16733 1 1309 . 1 1 129 129 ASP HA H 1 4.756 0.001 . 1 . . . . 548 ASP HA . 16733 1 1310 . 1 1 129 129 ASP HB2 H 1 2.753 0.001 . 2 . . . . 548 ASP HB2 . 16733 1 1311 . 1 1 129 129 ASP HB3 H 1 2.627 0.001 . 2 . . . . 548 ASP HB3 . 16733 1 1312 . 1 1 129 129 ASP C C 13 175.420 0.01 . 1 . . . . 548 ASP C . 16733 1 1313 . 1 1 129 129 ASP CA C 13 53.130 0.01 . 1 . . . . 548 ASP CA . 16733 1 1314 . 1 1 129 129 ASP CB C 13 39.920 0.01 . 1 . . . . 548 ASP CB . 16733 1 1315 . 1 1 129 129 ASP N N 15 117.490 0.01 . 1 . . . . 548 ASP N . 16733 1 1316 . 1 1 130 130 SER H H 1 7.653 0.001 . 1 . . . . 549 SER H . 16733 1 1317 . 1 1 130 130 SER HA H 1 4.388 0.001 . 1 . . . . 549 SER HA . 16733 1 1318 . 1 1 130 130 SER HB2 H 1 3.902 0.001 . 2 . . . . 549 SER HB2 . 16733 1 1319 . 1 1 130 130 SER HB3 H 1 3.877 0.001 . 2 . . . . 549 SER HB3 . 16733 1 1320 . 1 1 130 130 SER C C 13 172.000 0.01 . 1 . . . . 549 SER C . 16733 1 1321 . 1 1 130 130 SER CA C 13 58.700 0.01 . 1 . . . . 549 SER CA . 16733 1 1322 . 1 1 130 130 SER CB C 13 65.370 0.01 . 1 . . . . 549 SER CB . 16733 1 1323 . 1 1 130 130 SER N N 15 115.130 0.01 . 1 . . . . 549 SER N . 16733 1 1324 . 1 1 131 131 VAL H H 1 8.395 0.001 . 1 . . . . 550 VAL H . 16733 1 1325 . 1 1 131 131 VAL HA H 1 3.957 0.001 . 1 . . . . 550 VAL HA . 16733 1 1326 . 1 1 131 131 VAL HB H 1 1.826 0.001 . 1 . . . . 550 VAL HB . 16733 1 1327 . 1 1 131 131 VAL HG11 H 1 0.871 0.001 . 1 . . . . 550 VAL QG1 . 16733 1 1328 . 1 1 131 131 VAL HG12 H 1 0.871 0.001 . 1 . . . . 550 VAL QG1 . 16733 1 1329 . 1 1 131 131 VAL HG13 H 1 0.871 0.001 . 1 . . . . 550 VAL QG1 . 16733 1 1330 . 1 1 131 131 VAL HG21 H 1 0.652 0.001 . 1 . . . . 550 VAL QG2 . 16733 1 1331 . 1 1 131 131 VAL HG22 H 1 0.652 0.001 . 1 . . . . 550 VAL QG2 . 16733 1 1332 . 1 1 131 131 VAL HG23 H 1 0.652 0.001 . 1 . . . . 550 VAL QG2 . 16733 1 1333 . 1 1 131 131 VAL C C 13 176.950 0.01 . 1 . . . . 550 VAL C . 16733 1 1334 . 1 1 131 131 VAL CA C 13 62.540 0.01 . 1 . . . . 550 VAL CA . 16733 1 1335 . 1 1 131 131 VAL CB C 13 32.120 0.01 . 1 . . . . 550 VAL CB . 16733 1 1336 . 1 1 131 131 VAL N N 15 120.770 0.01 . 1 . . . . 550 VAL N . 16733 1 1337 . 1 1 132 132 ILE H H 1 8.575 0.001 . 1 . . . . 551 ILE H . 16733 1 1338 . 1 1 132 132 ILE HA H 1 4.181 0.001 . 1 . . . . 551 ILE HA . 16733 1 1339 . 1 1 132 132 ILE HB H 1 2.012 0.001 . 1 . . . . 551 ILE HB . 16733 1 1340 . 1 1 132 132 ILE HD11 H 1 0.110 0.001 . 1 . . . . 551 ILE QD1 . 16733 1 1341 . 1 1 132 132 ILE HD12 H 1 0.110 0.001 . 1 . . . . 551 ILE QD1 . 16733 1 1342 . 1 1 132 132 ILE HD13 H 1 0.110 0.001 . 1 . . . . 551 ILE QD1 . 16733 1 1343 . 1 1 132 132 ILE HG12 H 1 1.165 0.001 . 2 . . . . 551 ILE HG12 . 16733 1 1344 . 1 1 132 132 ILE HG13 H 1 1.093 0.001 . 2 . . . . 551 ILE HG13 . 16733 1 1345 . 1 1 132 132 ILE HG21 H 1 0.656 0.001 . 1 . . . . 551 ILE QG2 . 16733 1 1346 . 1 1 132 132 ILE HG22 H 1 0.656 0.001 . 1 . . . . 551 ILE QG2 . 16733 1 1347 . 1 1 132 132 ILE HG23 H 1 0.656 0.001 . 1 . . . . 551 ILE QG2 . 16733 1 1348 . 1 1 132 132 ILE C C 13 174.260 0.01 . 1 . . . . 551 ILE C . 16733 1 1349 . 1 1 132 132 ILE CA C 13 59.950 0.01 . 1 . . . . 551 ILE CA . 16733 1 1350 . 1 1 132 132 ILE CB C 13 39.030 0.01 . 1 . . . . 551 ILE CB . 16733 1 1351 . 1 1 132 132 ILE N N 15 130.380 0.01 . 1 . . . . 551 ILE N . 16733 1 1352 . 1 1 133 133 GLU H H 1 8.372 0.001 . 1 . . . . 552 GLU H . 16733 1 1353 . 1 1 133 133 GLU HA H 1 4.698 0.001 . 1 . . . . 552 GLU HA . 16733 1 1354 . 1 1 133 133 GLU HB2 H 1 1.795 0.001 . 2 . . . . 552 GLU HB2 . 16733 1 1355 . 1 1 133 133 GLU HB3 H 1 1.605 0.001 . 2 . . . . 552 GLU HB3 . 16733 1 1356 . 1 1 133 133 GLU HG2 H 1 2.335 0.001 . 2 . . . . 552 GLU HG2 . 16733 1 1357 . 1 1 133 133 GLU HG3 H 1 1.982 0.001 . 2 . . . . 552 GLU HG3 . 16733 1 1358 . 1 1 133 133 GLU C C 13 176.180 0.01 . 1 . . . . 552 GLU C . 16733 1 1359 . 1 1 133 133 GLU CA C 13 54.860 0.01 . 1 . . . . 552 GLU CA . 16733 1 1360 . 1 1 133 133 GLU CB C 13 32.120 0.01 . 1 . . . . 552 GLU CB . 16733 1 1361 . 1 1 133 133 GLU N N 15 127.500 0.01 . 1 . . . . 552 GLU N . 16733 1 1362 . 1 1 134 134 LEU H H 1 9.130 0.001 . 1 . . . . 553 LEU H . 16733 1 1363 . 1 1 134 134 LEU HA H 1 4.312 0.001 . 1 . . . . 553 LEU HA . 16733 1 1364 . 1 1 134 134 LEU HB2 H 1 1.870 0.001 . 2 . . . . 553 LEU HB2 . 16733 1 1365 . 1 1 134 134 LEU HB3 H 1 1.755 0.001 . 2 . . . . 553 LEU HB3 . 16733 1 1366 . 1 1 134 134 LEU HD11 H 1 0.883 0.001 . 1 . . . . 553 LEU QD1 . 16733 1 1367 . 1 1 134 134 LEU HD12 H 1 0.883 0.001 . 1 . . . . 553 LEU QD1 . 16733 1 1368 . 1 1 134 134 LEU HD13 H 1 0.883 0.001 . 1 . . . . 553 LEU QD1 . 16733 1 1369 . 1 1 134 134 LEU HD21 H 1 0.667 0.001 . 1 . . . . 553 LEU QD2 . 16733 1 1370 . 1 1 134 134 LEU HD22 H 1 0.667 0.001 . 1 . . . . 553 LEU QD2 . 16733 1 1371 . 1 1 134 134 LEU HD23 H 1 0.667 0.001 . 1 . . . . 553 LEU QD2 . 16733 1 1372 . 1 1 134 134 LEU HG H 1 1.228 0.001 . 1 . . . . 553 LEU HG . 16733 1 1373 . 1 1 134 134 LEU C C 13 174.960 0.01 . 1 . . . . 553 LEU C . 16733 1 1374 . 1 1 134 134 LEU CA C 13 55.240 0.01 . 1 . . . . 553 LEU CA . 16733 1 1375 . 1 1 134 134 LEU CB C 13 42.200 0.01 . 1 . . . . 553 LEU CB . 16733 1 1376 . 1 1 134 134 LEU N N 15 130.300 0.01 . 1 . . . . 553 LEU N . 16733 1 1377 . 1 1 135 135 GLN H H 1 8.334 0.001 . 1 . . . . 554 GLN H . 16733 1 1378 . 1 1 135 135 GLN HA H 1 4.884 0.001 . 1 . . . . 554 GLN HA . 16733 1 1379 . 1 1 135 135 GLN HB2 H 1 1.596 0.001 . 2 . . . . 554 GLN HB2 . 16733 1 1380 . 1 1 135 135 GLN HB3 H 1 1.209 0.001 . 2 . . . . 554 GLN HB3 . 16733 1 1381 . 1 1 135 135 GLN HE21 H 1 7.095 0.001 . 2 . . . . 554 GLN HE21 . 16733 1 1382 . 1 1 135 135 GLN HE22 H 1 6.976 0.001 . 2 . . . . 554 GLN HE22 . 16733 1 1383 . 1 1 135 135 GLN HG2 H 1 1.962 0.001 . 2 . . . . 554 GLN HG2 . 16733 1 1384 . 1 1 135 135 GLN HG3 H 1 1.898 0.001 . 2 . . . . 554 GLN HG3 . 16733 1 1385 . 1 1 135 135 GLN C C 13 175.150 0.01 . 1 . . . . 554 GLN C . 16733 1 1386 . 1 1 135 135 GLN CA C 13 54.710 0.01 . 1 . . . . 554 GLN CA . 16733 1 1387 . 1 1 135 135 GLN CB C 13 27.570 0.01 . 1 . . . . 554 GLN CB . 16733 1 1388 . 1 1 135 135 GLN N N 15 123.870 0.01 . 1 . . . . 554 GLN N . 16733 1 1389 . 1 1 135 135 GLN NE2 N 15 111.960 0.01 . 1 . . . . 554 GLN NE2 . 16733 1 1390 . 1 1 136 136 VAL H H 1 9.022 0.001 . 1 . . . . 555 VAL H . 16733 1 1391 . 1 1 136 136 VAL HA H 1 4.435 0.001 . 1 . . . . 555 VAL HA . 16733 1 1392 . 1 1 136 136 VAL HB H 1 1.786 0.001 . 1 . . . . 555 VAL HB . 16733 1 1393 . 1 1 136 136 VAL HG11 H 1 0.710 0.001 . 1 . . . . 555 VAL QG1 . 16733 1 1394 . 1 1 136 136 VAL HG12 H 1 0.710 0.001 . 1 . . . . 555 VAL QG1 . 16733 1 1395 . 1 1 136 136 VAL HG13 H 1 0.710 0.001 . 1 . . . . 555 VAL QG1 . 16733 1 1396 . 1 1 136 136 VAL HG21 H 1 0.600 0.001 . 1 . . . . 555 VAL QG2 . 16733 1 1397 . 1 1 136 136 VAL HG22 H 1 0.600 0.001 . 1 . . . . 555 VAL QG2 . 16733 1 1398 . 1 1 136 136 VAL HG23 H 1 0.600 0.001 . 1 . . . . 555 VAL QG2 . 16733 1 1399 . 1 1 136 136 VAL C C 13 175.400 0.01 . 1 . . . . 555 VAL C . 16733 1 1400 . 1 1 136 136 VAL CA C 13 61.410 0.01 . 1 . . . . 555 VAL CA . 16733 1 1401 . 1 1 136 136 VAL CB C 13 34.720 0.01 . 1 . . . . 555 VAL CB . 16733 1 1402 . 1 1 136 136 VAL N N 15 125.300 0.01 . 1 . . . . 555 VAL N . 16733 1 1403 . 1 1 137 137 SER H H 1 8.760 0.001 . 1 . . . . 556 SER H . 16733 1 1404 . 1 1 137 137 SER HA H 1 4.439 0.001 . 1 . . . . 556 SER HA . 16733 1 1405 . 1 1 137 137 SER HB2 H 1 3.665 0.001 . 2 . . . . 556 SER HB2 . 16733 1 1406 . 1 1 137 137 SER HB3 H 1 3.516 0.001 . 2 . . . . 556 SER HB3 . 16733 1 1407 . 1 1 137 137 SER C C 13 176.040 0.01 . 1 . . . . 556 SER C . 16733 1 1408 . 1 1 137 137 SER CA C 13 58.480 0.01 . 1 . . . . 556 SER CA . 16733 1 1409 . 1 1 137 137 SER CB C 13 63.340 0.01 . 1 . . . . 556 SER CB . 16733 1 1410 . 1 1 137 137 SER N N 15 122.010 0.01 . 1 . . . . 556 SER N . 16733 1 1411 . 1 1 138 138 LYS H H 1 8.610 0.001 . 1 . . . . 557 LYS H . 16733 1 1412 . 1 1 138 138 LYS HA H 1 4.131 0.001 . 1 . . . . 557 LYS HA . 16733 1 1413 . 1 1 138 138 LYS HB2 H 1 1.737 0.001 . 2 . . . . 557 LYS HB2 . 16733 1 1414 . 1 1 138 138 LYS HB3 H 1 1.703 0.001 . 2 . . . . 557 LYS HB3 . 16733 1 1415 . 1 1 138 138 LYS HD2 H 1 1.555 0.001 . 2 . . . . 557 LYS HD2 . 16733 1 1416 . 1 1 138 138 LYS HE2 H 1 2.980 0.001 . 2 . . . . 557 LYS HE2 . 16733 1 1417 . 1 1 138 138 LYS HG2 H 1 1.387 0.001 . 2 . . . . 557 LYS HG2 . 16733 1 1418 . 1 1 138 138 LYS HG3 H 1 1.329 0.001 . 2 . . . . 557 LYS HG3 . 16733 1 1419 . 1 1 138 138 LYS C C 13 179.770 0.01 . 1 . . . . 557 LYS C . 16733 1 1420 . 1 1 138 138 LYS CA C 13 58.520 0.01 . 1 . . . . 557 LYS CA . 16733 1 1421 . 1 1 138 138 LYS CB C 13 34.310 0.01 . 1 . . . . 557 LYS CB . 16733 1 1422 . 1 1 138 138 LYS N N 15 135.800 0.01 . 1 . . . . 557 LYS N . 16733 1 stop_ save_