data_16734 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16734 _Entry.Title ; NMR structure of the PASTA domain 3 and 4 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 . . . 16734 2 Martin Cohen-Gonsaud . . . 16734 3 Christian Roumestand . . . 16734 4 Galina Mukamolova . . . 16734 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' . 16734 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'external domain' . 16734 kinase . 16734 resuscitation . 16734 signaling . 16734 STPK . 16734 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16734 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 378 16734 '15N chemical shifts' 148 16734 '1H chemical shifts' 890 16734 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 . 16734 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' 16734 BMRB 16733 'PASTA domain 2 and 3 of PknB' 16734 PDB 2KUF 'BMRB Entry Tracking System' 16734 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16734 _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 . . . 16734 1 2 Galina Mukamolova . V. . 16734 1 3 Christian Roumestand . . . 16734 1 4 Martin Cohen-Gonsaud . . . 16734 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16734 _Assembly.ID 1 _Assembly.Name PknB_PASTA34 _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_PASTA34 A . yes native no no . . . 16734 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PknB_PASTA34 _Entity.Sf_category entity _Entity.Sf_framecode PknB_PASTA34 _Entity.Entry_ID 16734 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PknB_PASTA34 _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 ; GHMGPATKDIPDVAGQTVDV AQKNLNVYGFTKFSQASVDS PRPAGEVTGTNPPAGTTVPV DSVIELQVSKGNQFVMPDLS GMFWVDAEPRLRALGWTGML DKGADVDAGGSQHNRVVYQN PPAGTGVNRDGIITLRFGQ ; _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 139 _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 3 and 4' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14203.956 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KUF . "Nmr Structure Of The Pasta Domain 3 And 4 Of Mycobacterium Tuberculosis Of Pknb" . . . . . 100.00 139 100.00 100.00 1.12e-94 . . . . 16734 1 2 no PDB 3OUV . "Semet Derivative Of L512m Mutant Of Pasta Domain 3 Of Mycobacterium Tuberculosis Pknb" . . . . . 51.08 71 98.59 98.59 1.32e-39 . . . . 16734 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 . 16734 1 2 . HIS . 16734 1 3 . MET . 16734 1 4 . GLY . 16734 1 5 . PRO . 16734 1 6 . ALA . 16734 1 7 . THR . 16734 1 8 . LYS . 16734 1 9 . ASP . 16734 1 10 . ILE . 16734 1 11 . PRO . 16734 1 12 . ASP . 16734 1 13 . VAL . 16734 1 14 . ALA . 16734 1 15 . GLY . 16734 1 16 . GLN . 16734 1 17 . THR . 16734 1 18 . VAL . 16734 1 19 . ASP . 16734 1 20 . VAL . 16734 1 21 . ALA . 16734 1 22 . GLN . 16734 1 23 . LYS . 16734 1 24 . ASN . 16734 1 25 . LEU . 16734 1 26 . ASN . 16734 1 27 . VAL . 16734 1 28 . TYR . 16734 1 29 . GLY . 16734 1 30 . PHE . 16734 1 31 . THR . 16734 1 32 . LYS . 16734 1 33 . PHE . 16734 1 34 . SER . 16734 1 35 . GLN . 16734 1 36 . ALA . 16734 1 37 . SER . 16734 1 38 . VAL . 16734 1 39 . ASP . 16734 1 40 . SER . 16734 1 41 . PRO . 16734 1 42 . ARG . 16734 1 43 . PRO . 16734 1 44 . ALA . 16734 1 45 . GLY . 16734 1 46 . GLU . 16734 1 47 . VAL . 16734 1 48 . THR . 16734 1 49 . GLY . 16734 1 50 . THR . 16734 1 51 . ASN . 16734 1 52 . PRO . 16734 1 53 . PRO . 16734 1 54 . ALA . 16734 1 55 . GLY . 16734 1 56 . THR . 16734 1 57 . THR . 16734 1 58 . VAL . 16734 1 59 . PRO . 16734 1 60 . VAL . 16734 1 61 . ASP . 16734 1 62 . SER . 16734 1 63 . VAL . 16734 1 64 . ILE . 16734 1 65 . GLU . 16734 1 66 . LEU . 16734 1 67 . GLN . 16734 1 68 . VAL . 16734 1 69 . SER . 16734 1 70 . LYS . 16734 1 71 . GLY . 16734 1 72 . ASN . 16734 1 73 . GLN . 16734 1 74 . PHE . 16734 1 75 . VAL . 16734 1 76 . MET . 16734 1 77 . PRO . 16734 1 78 . ASP . 16734 1 79 . LEU . 16734 1 80 . SER . 16734 1 81 . GLY . 16734 1 82 . MET . 16734 1 83 . PHE . 16734 1 84 . TRP . 16734 1 85 . VAL . 16734 1 86 . ASP . 16734 1 87 . ALA . 16734 1 88 . GLU . 16734 1 89 . PRO . 16734 1 90 . ARG . 16734 1 91 . LEU . 16734 1 92 . ARG . 16734 1 93 . ALA . 16734 1 94 . LEU . 16734 1 95 . GLY . 16734 1 96 . TRP . 16734 1 97 . THR . 16734 1 98 . GLY . 16734 1 99 . MET . 16734 1 100 . LEU . 16734 1 101 . ASP . 16734 1 102 . LYS . 16734 1 103 . GLY . 16734 1 104 . ALA . 16734 1 105 . ASP . 16734 1 106 . VAL . 16734 1 107 . ASP . 16734 1 108 . ALA . 16734 1 109 . GLY . 16734 1 110 . GLY . 16734 1 111 . SER . 16734 1 112 . GLN . 16734 1 113 . HIS . 16734 1 114 . ASN . 16734 1 115 . ARG . 16734 1 116 . VAL . 16734 1 117 . VAL . 16734 1 118 . TYR . 16734 1 119 . GLN . 16734 1 120 . ASN . 16734 1 121 . PRO . 16734 1 122 . PRO . 16734 1 123 . ALA . 16734 1 124 . GLY . 16734 1 125 . THR . 16734 1 126 . GLY . 16734 1 127 . VAL . 16734 1 128 . ASN . 16734 1 129 . ARG . 16734 1 130 . ASP . 16734 1 131 . GLY . 16734 1 132 . ILE . 16734 1 133 . ILE . 16734 1 134 . THR . 16734 1 135 . LEU . 16734 1 136 . ARG . 16734 1 137 . PHE . 16734 1 138 . GLY . 16734 1 139 . GLN . 16734 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 16734 1 . HIS 2 2 16734 1 . MET 3 3 16734 1 . GLY 4 4 16734 1 . PRO 5 5 16734 1 . ALA 6 6 16734 1 . THR 7 7 16734 1 . LYS 8 8 16734 1 . ASP 9 9 16734 1 . ILE 10 10 16734 1 . PRO 11 11 16734 1 . ASP 12 12 16734 1 . VAL 13 13 16734 1 . ALA 14 14 16734 1 . GLY 15 15 16734 1 . GLN 16 16 16734 1 . THR 17 17 16734 1 . VAL 18 18 16734 1 . ASP 19 19 16734 1 . VAL 20 20 16734 1 . ALA 21 21 16734 1 . GLN 22 22 16734 1 . LYS 23 23 16734 1 . ASN 24 24 16734 1 . LEU 25 25 16734 1 . ASN 26 26 16734 1 . VAL 27 27 16734 1 . TYR 28 28 16734 1 . GLY 29 29 16734 1 . PHE 30 30 16734 1 . THR 31 31 16734 1 . LYS 32 32 16734 1 . PHE 33 33 16734 1 . SER 34 34 16734 1 . GLN 35 35 16734 1 . ALA 36 36 16734 1 . SER 37 37 16734 1 . VAL 38 38 16734 1 . ASP 39 39 16734 1 . SER 40 40 16734 1 . PRO 41 41 16734 1 . ARG 42 42 16734 1 . PRO 43 43 16734 1 . ALA 44 44 16734 1 . GLY 45 45 16734 1 . GLU 46 46 16734 1 . VAL 47 47 16734 1 . THR 48 48 16734 1 . GLY 49 49 16734 1 . THR 50 50 16734 1 . ASN 51 51 16734 1 . PRO 52 52 16734 1 . PRO 53 53 16734 1 . ALA 54 54 16734 1 . GLY 55 55 16734 1 . THR 56 56 16734 1 . THR 57 57 16734 1 . VAL 58 58 16734 1 . PRO 59 59 16734 1 . VAL 60 60 16734 1 . ASP 61 61 16734 1 . SER 62 62 16734 1 . VAL 63 63 16734 1 . ILE 64 64 16734 1 . GLU 65 65 16734 1 . LEU 66 66 16734 1 . GLN 67 67 16734 1 . VAL 68 68 16734 1 . SER 69 69 16734 1 . LYS 70 70 16734 1 . GLY 71 71 16734 1 . ASN 72 72 16734 1 . GLN 73 73 16734 1 . PHE 74 74 16734 1 . VAL 75 75 16734 1 . MET 76 76 16734 1 . PRO 77 77 16734 1 . ASP 78 78 16734 1 . LEU 79 79 16734 1 . SER 80 80 16734 1 . GLY 81 81 16734 1 . MET 82 82 16734 1 . PHE 83 83 16734 1 . TRP 84 84 16734 1 . VAL 85 85 16734 1 . ASP 86 86 16734 1 . ALA 87 87 16734 1 . GLU 88 88 16734 1 . PRO 89 89 16734 1 . ARG 90 90 16734 1 . LEU 91 91 16734 1 . ARG 92 92 16734 1 . ALA 93 93 16734 1 . LEU 94 94 16734 1 . GLY 95 95 16734 1 . TRP 96 96 16734 1 . THR 97 97 16734 1 . GLY 98 98 16734 1 . MET 99 99 16734 1 . LEU 100 100 16734 1 . ASP 101 101 16734 1 . LYS 102 102 16734 1 . GLY 103 103 16734 1 . ALA 104 104 16734 1 . ASP 105 105 16734 1 . VAL 106 106 16734 1 . ASP 107 107 16734 1 . ALA 108 108 16734 1 . GLY 109 109 16734 1 . GLY 110 110 16734 1 . SER 111 111 16734 1 . GLN 112 112 16734 1 . HIS 113 113 16734 1 . ASN 114 114 16734 1 . ARG 115 115 16734 1 . VAL 116 116 16734 1 . VAL 117 117 16734 1 . TYR 118 118 16734 1 . GLN 119 119 16734 1 . ASN 120 120 16734 1 . PRO 121 121 16734 1 . PRO 122 122 16734 1 . ALA 123 123 16734 1 . GLY 124 124 16734 1 . THR 125 125 16734 1 . GLY 126 126 16734 1 . VAL 127 127 16734 1 . ASN 128 128 16734 1 . ARG 129 129 16734 1 . ASP 130 130 16734 1 . GLY 131 131 16734 1 . ILE 132 132 16734 1 . ILE 133 133 16734 1 . THR 134 134 16734 1 . LEU 135 135 16734 1 . ARG 136 136 16734 1 . PHE 137 137 16734 1 . GLY 138 138 16734 1 . GLN 139 139 16734 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 16734 _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_PASTA34 . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis H37Rv . . . . . . . . . . . . . . . Rv0014c . 'Residues 491 to 626' . . 16734 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 16734 _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_PASTA34 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET21-TEV . . . . . . 16734 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16734 _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_PASTA34 '[U-100% 15N]' . . 1 $PknB_PASTA34 . . 0.6 . . mM 0.1 . . . 16734 1 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 16734 1 3 H2O 'natural abundance' . . . . . . 5.0 . . % 0.1 . . . 16734 1 4 D2O 'natural abundance' . . . . . . 95 . . % 0.1 . . . 16734 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16734 _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_PASTA34 '[U-100% 13C; U-100% 15N]' . . 1 $PknB_PASTA34 . . 0.6 . . mM 0.1 . . . 16734 2 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 16734 2 3 H2O 'natural abundance' . . . . . . 95 . . % 0.1 . . . 16734 2 4 D2O 'natural abundance' . . . . . . 5 . . % 0.1 . . . 16734 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 16734 _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 16734 1 pH 4.6 0.1 pH 16734 1 pressure 1 . atm 16734 1 temperature 283 0.1 K 16734 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16734 _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' . . 16734 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16734 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 16734 _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 16734 _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 16734 _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 . . . 16734 1 2 spectrometer_2 Bruker 'Avance III' . 500 . . . 16734 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 16734 _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 . . . . . . . . . . . . . . . . 16734 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16734 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16734 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16734 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16734 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16734 1 7 '3D HNCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16734 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 16734 _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 . . . . . . . . . 16734 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16734 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16734 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 16734 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 16734 1 3 '3D HNCA' . . . 16734 1 4 '3D HN(COCA)CB' . . . 16734 1 6 '3D HNCO' . . . 16734 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 8.395 0.001 . 1 . . . . 491 GLY H . 16734 1 2 . 1 1 4 4 GLY HA2 H 1 4.024 0.001 . 2 . . . . 491 GLY HA2 . 16734 1 3 . 1 1 4 4 GLY HA3 H 1 3.693 0.001 . 2 . . . . 491 GLY HA3 . 16734 1 4 . 1 1 4 4 GLY C C 13 171.550 0.01 . 1 . . . . 491 GLY C . 16734 1 5 . 1 1 4 4 GLY CA C 13 44.400 0.01 . 1 . . . . 491 GLY CA . 16734 1 6 . 1 1 4 4 GLY N N 15 110.800 0.01 . 1 . . . . 491 GLY N . 16734 1 7 . 1 1 5 5 PRO HA H 1 4.417 0.001 . 1 . . . . 492 PRO HA . 16734 1 8 . 1 1 5 5 PRO HB2 H 1 2.286 0.001 . 2 . . . . 492 PRO HB2 . 16734 1 9 . 1 1 5 5 PRO HB3 H 1 1.912 0.001 . 2 . . . . 492 PRO HB3 . 16734 1 10 . 1 1 5 5 PRO HD2 H 1 3.590 0.001 . 2 . . . . 492 PRO HD2 . 16734 1 11 . 1 1 5 5 PRO HD3 H 1 3.590 0.001 . 2 . . . . 492 PRO HD3 . 16734 1 12 . 1 1 5 5 PRO HG2 H 1 2.030 0.001 . 2 . . . . 492 PRO HG2 . 16734 1 13 . 1 1 5 5 PRO HG3 H 1 2.030 0.001 . 2 . . . . 492 PRO HG3 . 16734 1 14 . 1 1 5 5 PRO C C 13 176.690 0.01 . 1 . . . . 492 PRO C . 16734 1 15 . 1 1 5 5 PRO CA C 13 62.850 0.01 . 1 . . . . 492 PRO CA . 16734 1 16 . 1 1 5 5 PRO CB C 13 32.440 0.01 . 1 . . . . 492 PRO CB . 16734 1 17 . 1 1 6 6 ALA H H 1 8.620 0.001 . 1 . . . . 493 ALA H . 16734 1 18 . 1 1 6 6 ALA HA H 1 4.333 0.001 . 1 . . . . 493 ALA HA . 16734 1 19 . 1 1 6 6 ALA HB1 H 1 1.399 0.001 . 1 . . . . 493 ALA QB . 16734 1 20 . 1 1 6 6 ALA HB2 H 1 1.399 0.001 . 1 . . . . 493 ALA QB . 16734 1 21 . 1 1 6 6 ALA HB3 H 1 1.399 0.001 . 1 . . . . 493 ALA QB . 16734 1 22 . 1 1 6 6 ALA C C 13 177.330 0.01 . 1 . . . . 493 ALA C . 16734 1 23 . 1 1 6 6 ALA CA C 13 52.810 0.01 . 1 . . . . 493 ALA CA . 16734 1 24 . 1 1 6 6 ALA CB C 13 19.320 0.01 . 1 . . . . 493 ALA CB . 16734 1 25 . 1 1 6 6 ALA N N 15 124.460 0.01 . 1 . . . . 493 ALA N . 16734 1 26 . 1 1 7 7 THR H H 1 8.076 0.001 . 1 . . . . 494 THR H . 16734 1 27 . 1 1 7 7 THR HA H 1 5.021 0.001 . 1 . . . . 494 THR HA . 16734 1 28 . 1 1 7 7 THR HB H 1 3.813 0.001 . 1 . . . . 494 THR HB . 16734 1 29 . 1 1 7 7 THR HG21 H 1 0.960 0.001 . 1 . . . . 494 THR QG2 . 16734 1 30 . 1 1 7 7 THR HG22 H 1 0.960 0.001 . 1 . . . . 494 THR QG2 . 16734 1 31 . 1 1 7 7 THR HG23 H 1 0.960 0.001 . 1 . . . . 494 THR QG2 . 16734 1 32 . 1 1 7 7 THR C C 13 173.860 0.01 . 1 . . . . 494 THR C . 16734 1 33 . 1 1 7 7 THR CA C 13 59.340 0.01 . 1 . . . . 494 THR CA . 16734 1 34 . 1 1 7 7 THR CB C 13 71.890 0.01 . 1 . . . . 494 THR CB . 16734 1 35 . 1 1 7 7 THR N N 15 111.170 0.01 . 1 . . . . 494 THR N . 16734 1 36 . 1 1 8 8 LYS H H 1 8.870 0.001 . 1 . . . . 495 LYS H . 16734 1 37 . 1 1 8 8 LYS HA H 1 4.639 0.001 . 1 . . . . 495 LYS HA . 16734 1 38 . 1 1 8 8 LYS HB2 H 1 1.825 0.001 . 2 . . . . 495 LYS HB2 . 16734 1 39 . 1 1 8 8 LYS HB3 H 1 1.586 0.001 . 2 . . . . 495 LYS HB3 . 16734 1 40 . 1 1 8 8 LYS HD2 H 1 1.550 0.001 . 2 . . . . 495 LYS HD2 . 16734 1 41 . 1 1 8 8 LYS HE2 H 1 2.980 0.001 . 2 . . . . 495 LYS HE2 . 16734 1 42 . 1 1 8 8 LYS HG2 H 1 1.371 0.001 . 2 . . . . 495 LYS HG2 . 16734 1 43 . 1 1 8 8 LYS HG3 H 1 1.040 0.001 . 2 . . . . 495 LYS HG3 . 16734 1 44 . 1 1 8 8 LYS C C 13 174.120 0.01 . 1 . . . . 495 LYS C . 16734 1 45 . 1 1 8 8 LYS CA C 13 54.520 0.01 . 1 . . . . 495 LYS CA . 16734 1 46 . 1 1 8 8 LYS CB C 13 37.770 0.01 . 1 . . . . 495 LYS CB . 16734 1 47 . 1 1 8 8 LYS N N 15 120.650 0.01 . 1 . . . . 495 LYS N . 16734 1 48 . 1 1 9 9 ASP H H 1 8.566 0.001 . 1 . . . . 496 ASP H . 16734 1 49 . 1 1 9 9 ASP HA H 1 5.033 0.001 . 1 . . . . 496 ASP HA . 16734 1 50 . 1 1 9 9 ASP HB2 H 1 2.455 0.001 . 2 . . . . 496 ASP HB2 . 16734 1 51 . 1 1 9 9 ASP HB3 H 1 2.375 0.001 . 2 . . . . 496 ASP HB3 . 16734 1 52 . 1 1 9 9 ASP C C 13 176.240 0.01 . 1 . . . . 496 ASP C . 16734 1 53 . 1 1 9 9 ASP CA C 13 52.650 0.01 . 1 . . . . 496 ASP CA . 16734 1 54 . 1 1 9 9 ASP CB C 13 39.610 0.01 . 1 . . . . 496 ASP CB . 16734 1 55 . 1 1 9 9 ASP N N 15 121.390 0.01 . 1 . . . . 496 ASP N . 16734 1 56 . 1 1 10 10 ILE H H 1 8.192 0.001 . 1 . . . . 497 ILE H . 16734 1 57 . 1 1 10 10 ILE HA H 1 3.910 0.001 . 1 . . . . 497 ILE HA . 16734 1 58 . 1 1 10 10 ILE HB H 1 1.931 0.001 . 1 . . . . 497 ILE HB . 16734 1 59 . 1 1 10 10 ILE HD11 H 1 0.538 0.001 . 1 . . . . 497 ILE QD1 . 16734 1 60 . 1 1 10 10 ILE HD12 H 1 0.538 0.001 . 1 . . . . 497 ILE QD1 . 16734 1 61 . 1 1 10 10 ILE HD13 H 1 0.538 0.001 . 1 . . . . 497 ILE QD1 . 16734 1 62 . 1 1 10 10 ILE HG12 H 1 1.561 0.001 . 2 . . . . 497 ILE HG12 . 16734 1 63 . 1 1 10 10 ILE HG13 H 1 0.876 0.001 . 2 . . . . 497 ILE HG13 . 16734 1 64 . 1 1 10 10 ILE HG21 H 1 0.288 0.001 . 1 . . . . 497 ILE QG2 . 16734 1 65 . 1 1 10 10 ILE HG22 H 1 0.288 0.001 . 1 . . . . 497 ILE QG2 . 16734 1 66 . 1 1 10 10 ILE HG23 H 1 0.288 0.001 . 1 . . . . 497 ILE QG2 . 16734 1 67 . 1 1 10 10 ILE C C 13 175.270 0.01 . 1 . . . . 497 ILE C . 16734 1 68 . 1 1 10 10 ILE CA C 13 60.320 0.01 . 1 . . . . 497 ILE CA . 16734 1 69 . 1 1 10 10 ILE CB C 13 39.900 0.01 . 1 . . . . 497 ILE CB . 16734 1 70 . 1 1 10 10 ILE N N 15 123.970 0.01 . 1 . . . . 497 ILE N . 16734 1 71 . 1 1 11 11 PRO HA H 1 4.397 0.001 . 1 . . . . 498 PRO HA . 16734 1 72 . 1 1 11 11 PRO HB2 H 1 1.600 0.001 . 2 . . . . 498 PRO HB2 . 16734 1 73 . 1 1 11 11 PRO HB3 H 1 1.330 0.001 . 2 . . . . 498 PRO HB3 . 16734 1 74 . 1 1 11 11 PRO HD2 H 1 3.640 0.001 . 2 . . . . 498 PRO HD2 . 16734 1 75 . 1 1 11 11 PRO HD3 H 1 3.479 0.001 . 2 . . . . 498 PRO HD3 . 16734 1 76 . 1 1 11 11 PRO HG2 H 1 1.600 0.001 . 2 . . . . 498 PRO HG2 . 16734 1 77 . 1 1 11 11 PRO HG3 H 1 1.600 0.001 . 2 . . . . 498 PRO HG3 . 16734 1 78 . 1 1 11 11 PRO C C 13 174.860 0.01 . 1 . . . . 498 PRO C . 16734 1 79 . 1 1 11 11 PRO CA C 13 62.110 0.01 . 1 . . . . 498 PRO CA . 16734 1 80 . 1 1 11 11 PRO CB C 13 31.940 0.01 . 1 . . . . 498 PRO CB . 16734 1 81 . 1 1 12 12 ASP H H 1 8.659 0.001 . 1 . . . . 499 ASP H . 16734 1 82 . 1 1 12 12 ASP HA H 1 4.422 0.001 . 1 . . . . 499 ASP HA . 16734 1 83 . 1 1 12 12 ASP HB2 H 1 2.818 0.001 . 2 . . . . 499 ASP HB2 . 16734 1 84 . 1 1 12 12 ASP HB3 H 1 2.439 0.001 . 2 . . . . 499 ASP HB3 . 16734 1 85 . 1 1 12 12 ASP C C 13 176.920 0.01 . 1 . . . . 499 ASP C . 16734 1 86 . 1 1 12 12 ASP CA C 13 54.480 0.01 . 1 . . . . 499 ASP CA . 16734 1 87 . 1 1 12 12 ASP CB C 13 40.650 0.01 . 1 . . . . 499 ASP CB . 16734 1 88 . 1 1 12 12 ASP N N 15 118.370 0.01 . 1 . . . . 499 ASP N . 16734 1 89 . 1 1 13 13 VAL H H 1 7.436 0.001 . 1 . . . . 500 VAL H . 16734 1 90 . 1 1 13 13 VAL HA H 1 4.508 0.001 . 1 . . . . 500 VAL HA . 16734 1 91 . 1 1 13 13 VAL HB H 1 2.436 0.001 . 1 . . . . 500 VAL HB . 16734 1 92 . 1 1 13 13 VAL HG11 H 1 0.748 0.001 . 1 . . . . 500 VAL QG1 . 16734 1 93 . 1 1 13 13 VAL HG12 H 1 0.748 0.001 . 1 . . . . 500 VAL QG1 . 16734 1 94 . 1 1 13 13 VAL HG13 H 1 0.748 0.001 . 1 . . . . 500 VAL QG1 . 16734 1 95 . 1 1 13 13 VAL HG21 H 1 0.575 0.001 . 1 . . . . 500 VAL QG2 . 16734 1 96 . 1 1 13 13 VAL HG22 H 1 0.575 0.001 . 1 . . . . 500 VAL QG2 . 16734 1 97 . 1 1 13 13 VAL HG23 H 1 0.575 0.001 . 1 . . . . 500 VAL QG2 . 16734 1 98 . 1 1 13 13 VAL C C 13 174.070 0.01 . 1 . . . . 500 VAL C . 16734 1 99 . 1 1 13 13 VAL CA C 13 60.030 0.01 . 1 . . . . 500 VAL CA . 16734 1 100 . 1 1 13 13 VAL CB C 13 31.140 0.01 . 1 . . . . 500 VAL CB . 16734 1 101 . 1 1 13 13 VAL N N 15 119.850 0.01 . 1 . . . . 500 VAL N . 16734 1 102 . 1 1 14 14 ALA H H 1 7.710 0.001 . 1 . . . . 501 ALA H . 16734 1 103 . 1 1 14 14 ALA HA H 1 3.807 0.001 . 1 . . . . 501 ALA HA . 16734 1 104 . 1 1 14 14 ALA HB1 H 1 1.289 0.001 . 1 . . . . 501 ALA QB . 16734 1 105 . 1 1 14 14 ALA HB2 H 1 1.289 0.001 . 1 . . . . 501 ALA QB . 16734 1 106 . 1 1 14 14 ALA HB3 H 1 1.289 0.001 . 1 . . . . 501 ALA QB . 16734 1 107 . 1 1 14 14 ALA C C 13 179.660 0.01 . 1 . . . . 501 ALA C . 16734 1 108 . 1 1 14 14 ALA CA C 13 53.670 0.01 . 1 . . . . 501 ALA CA . 16734 1 109 . 1 1 14 14 ALA CB C 13 18.520 0.01 . 1 . . . . 501 ALA CB . 16734 1 110 . 1 1 14 14 ALA N N 15 122.920 0.01 . 1 . . . . 501 ALA N . 16734 1 111 . 1 1 15 15 GLY H H 1 9.399 0.001 . 1 . . . . 502 GLY H . 16734 1 112 . 1 1 15 15 GLY HA2 H 1 4.294 0.001 . 2 . . . . 502 GLY HA2 . 16734 1 113 . 1 1 15 15 GLY HA3 H 1 3.639 0.001 . 2 . . . . 502 GLY HA3 . 16734 1 114 . 1 1 15 15 GLY C C 13 173.810 0.01 . 1 . . . . 502 GLY C . 16734 1 115 . 1 1 15 15 GLY CA C 13 44.810 0.01 . 1 . . . . 502 GLY CA . 16734 1 116 . 1 1 15 15 GLY N N 15 109.700 0.01 . 1 . . . . 502 GLY N . 16734 1 117 . 1 1 16 16 GLN H H 1 7.360 0.001 . 1 . . . . 503 GLN H . 16734 1 118 . 1 1 16 16 GLN HA H 1 4.546 0.001 . 1 . . . . 503 GLN HA . 16734 1 119 . 1 1 16 16 GLN HB2 H 1 2.080 0.001 . 2 . . . . 503 GLN HB2 . 16734 1 120 . 1 1 16 16 GLN HB3 H 1 1.980 0.001 . 2 . . . . 503 GLN HB3 . 16734 1 121 . 1 1 16 16 GLN HE21 H 1 6.986 0.001 . 2 . . . . 503 GLN HE21 . 16734 1 122 . 1 1 16 16 GLN HE22 H 1 6.426 0.001 . 2 . . . . 503 GLN HE22 . 16734 1 123 . 1 1 16 16 GLN HG2 H 1 2.273 0.001 . 2 . . . . 503 GLN HG2 . 16734 1 124 . 1 1 16 16 GLN HG3 H 1 2.237 0.001 . 2 . . . . 503 GLN HG3 . 16734 1 125 . 1 1 16 16 GLN C C 13 176.070 0.01 . 1 . . . . 503 GLN C . 16734 1 126 . 1 1 16 16 GLN CA C 13 54.690 0.01 . 1 . . . . 503 GLN CA . 16734 1 127 . 1 1 16 16 GLN CB C 13 30.020 0.01 . 1 . . . . 503 GLN CB . 16734 1 128 . 1 1 16 16 GLN N N 15 120.340 0.01 . 1 . . . . 503 GLN N . 16734 1 129 . 1 1 16 16 GLN NE2 N 15 106.310 0.01 . 1 . . . . 503 GLN NE2 . 16734 1 130 . 1 1 17 17 THR H H 1 7.951 0.001 . 1 . . . . 504 THR H . 16734 1 131 . 1 1 17 17 THR HA H 1 4.608 0.001 . 1 . . . . 504 THR HA . 16734 1 132 . 1 1 17 17 THR HB H 1 4.080 0.001 . 1 . . . . 504 THR HB . 16734 1 133 . 1 1 17 17 THR HG21 H 1 1.309 0.001 . 1 . . . . 504 THR QG2 . 16734 1 134 . 1 1 17 17 THR HG22 H 1 1.309 0.001 . 1 . . . . 504 THR QG2 . 16734 1 135 . 1 1 17 17 THR HG23 H 1 1.309 0.001 . 1 . . . . 504 THR QG2 . 16734 1 136 . 1 1 17 17 THR C C 13 175.400 0.01 . 1 . . . . 504 THR C . 16734 1 137 . 1 1 17 17 THR CA C 13 61.830 0.01 . 1 . . . . 504 THR CA . 16734 1 138 . 1 1 17 17 THR CB C 13 70.050 0.01 . 1 . . . . 504 THR CB . 16734 1 139 . 1 1 17 17 THR N N 15 110.000 0.01 . 1 . . . . 504 THR N . 16734 1 140 . 1 1 18 18 VAL H H 1 8.586 0.001 . 1 . . . . 505 VAL H . 16734 1 141 . 1 1 18 18 VAL HA H 1 3.265 0.001 . 1 . . . . 505 VAL HA . 16734 1 142 . 1 1 18 18 VAL HB H 1 1.927 0.001 . 1 . . . . 505 VAL HB . 16734 1 143 . 1 1 18 18 VAL HG11 H 1 0.921 0.001 . 1 . . . . 505 VAL QG1 . 16734 1 144 . 1 1 18 18 VAL HG12 H 1 0.921 0.001 . 1 . . . . 505 VAL QG1 . 16734 1 145 . 1 1 18 18 VAL HG13 H 1 0.921 0.001 . 1 . . . . 505 VAL QG1 . 16734 1 146 . 1 1 18 18 VAL HG21 H 1 0.743 0.001 . 1 . . . . 505 VAL QG2 . 16734 1 147 . 1 1 18 18 VAL HG22 H 1 0.743 0.001 . 1 . . . . 505 VAL QG2 . 16734 1 148 . 1 1 18 18 VAL HG23 H 1 0.743 0.001 . 1 . . . . 505 VAL QG2 . 16734 1 149 . 1 1 18 18 VAL C C 13 177.140 0.01 . 1 . . . . 505 VAL C . 16734 1 150 . 1 1 18 18 VAL CA C 13 67.940 0.01 . 1 . . . . 505 VAL CA . 16734 1 151 . 1 1 18 18 VAL CB C 13 31.780 0.01 . 1 . . . . 505 VAL CB . 16734 1 152 . 1 1 18 18 VAL N N 15 120.100 0.01 . 1 . . . . 505 VAL N . 16734 1 153 . 1 1 19 19 ASP H H 1 8.574 0.001 . 1 . . . . 506 ASP H . 16734 1 154 . 1 1 19 19 ASP HA H 1 4.185 0.001 . 1 . . . . 506 ASP HA . 16734 1 155 . 1 1 19 19 ASP HB2 H 1 2.583 0.001 . 2 . . . . 506 ASP HB2 . 16734 1 156 . 1 1 19 19 ASP HB3 H 1 2.542 0.001 . 2 . . . . 506 ASP HB3 . 16734 1 157 . 1 1 19 19 ASP C C 13 178.750 0.01 . 1 . . . . 506 ASP C . 16734 1 158 . 1 1 19 19 ASP CA C 13 57.260 0.01 . 1 . . . . 506 ASP CA . 16734 1 159 . 1 1 19 19 ASP CB C 13 40.650 0.01 . 1 . . . . 506 ASP CB . 16734 1 160 . 1 1 19 19 ASP N N 15 116.400 0.01 . 1 . . . . 506 ASP N . 16734 1 161 . 1 1 20 20 VAL H H 1 7.111 0.001 . 1 . . . . 507 VAL H . 16734 1 162 . 1 1 20 20 VAL HA H 1 3.484 0.001 . 1 . . . . 507 VAL HA . 16734 1 163 . 1 1 20 20 VAL HB H 1 2.035 0.001 . 1 . . . . 507 VAL HB . 16734 1 164 . 1 1 20 20 VAL HG11 H 1 0.955 0.001 . 1 . . . . 507 VAL QG1 . 16734 1 165 . 1 1 20 20 VAL HG12 H 1 0.955 0.001 . 1 . . . . 507 VAL QG1 . 16734 1 166 . 1 1 20 20 VAL HG13 H 1 0.955 0.001 . 1 . . . . 507 VAL QG1 . 16734 1 167 . 1 1 20 20 VAL HG21 H 1 0.910 0.001 . 1 . . . . 507 VAL QG2 . 16734 1 168 . 1 1 20 20 VAL HG22 H 1 0.910 0.001 . 1 . . . . 507 VAL QG2 . 16734 1 169 . 1 1 20 20 VAL HG23 H 1 0.910 0.001 . 1 . . . . 507 VAL QG2 . 16734 1 170 . 1 1 20 20 VAL C C 13 177.380 0.01 . 1 . . . . 507 VAL C . 16734 1 171 . 1 1 20 20 VAL CA C 13 66.560 0.01 . 1 . . . . 507 VAL CA . 16734 1 172 . 1 1 20 20 VAL CB C 13 29.090 0.01 . 1 . . . . 507 VAL CB . 16734 1 173 . 1 1 20 20 VAL N N 15 122.250 0.01 . 1 . . . . 507 VAL N . 16734 1 174 . 1 1 21 21 ALA H H 1 8.994 0.001 . 1 . . . . 508 ALA H . 16734 1 175 . 1 1 21 21 ALA HA H 1 4.518 0.001 . 1 . . . . 508 ALA HA . 16734 1 176 . 1 1 21 21 ALA HB1 H 1 1.278 0.001 . 1 . . . . 508 ALA QB . 16734 1 177 . 1 1 21 21 ALA HB2 H 1 1.278 0.001 . 1 . . . . 508 ALA QB . 16734 1 178 . 1 1 21 21 ALA HB3 H 1 1.278 0.001 . 1 . . . . 508 ALA QB . 16734 1 179 . 1 1 21 21 ALA C C 13 180.600 0.01 . 1 . . . . 508 ALA C . 16734 1 180 . 1 1 21 21 ALA CA C 13 55.220 0.01 . 1 . . . . 508 ALA CA . 16734 1 181 . 1 1 21 21 ALA CB C 13 19.020 0.01 . 1 . . . . 508 ALA CB . 16734 1 182 . 1 1 21 21 ALA N N 15 123.720 0.01 . 1 . . . . 508 ALA N . 16734 1 183 . 1 1 22 22 GLN H H 1 8.364 0.001 . 1 . . . . 509 GLN H . 16734 1 184 . 1 1 22 22 GLN HA H 1 3.153 0.001 . 1 . . . . 509 GLN HA . 16734 1 185 . 1 1 22 22 GLN HB2 H 1 1.925 0.001 . 2 . . . . 509 GLN HB2 . 16734 1 186 . 1 1 22 22 GLN HB3 H 1 1.710 0.001 . 2 . . . . 509 GLN HB3 . 16734 1 187 . 1 1 22 22 GLN HE21 H 1 6.862 0.001 . 2 . . . . 509 GLN HE21 . 16734 1 188 . 1 1 22 22 GLN HE22 H 1 6.395 0.001 . 2 . . . . 509 GLN HE22 . 16734 1 189 . 1 1 22 22 GLN HG2 H 1 2.328 0.001 . 2 . . . . 509 GLN HG2 . 16734 1 190 . 1 1 22 22 GLN HG3 H 1 2.305 0.001 . 2 . . . . 509 GLN HG3 . 16734 1 191 . 1 1 22 22 GLN C C 13 178.000 0.01 . 1 . . . . 509 GLN C . 16734 1 192 . 1 1 22 22 GLN CA C 13 59.990 0.01 . 1 . . . . 509 GLN CA . 16734 1 193 . 1 1 22 22 GLN CB C 13 28.050 0.01 . 1 . . . . 509 GLN CB . 16734 1 194 . 1 1 22 22 GLN N N 15 114.800 0.01 . 1 . . . . 509 GLN N . 16734 1 195 . 1 1 22 22 GLN NE2 N 15 108.900 0.01 . 1 . . . . 509 GLN NE2 . 16734 1 196 . 1 1 23 23 LYS H H 1 7.490 0.001 . 1 . . . . 510 LYS H . 16734 1 197 . 1 1 23 23 LYS HA H 1 4.083 0.001 . 1 . . . . 510 LYS HA . 16734 1 198 . 1 1 23 23 LYS HB2 H 1 1.980 0.001 . 2 . . . . 510 LYS HB2 . 16734 1 199 . 1 1 23 23 LYS HB3 H 1 1.939 0.001 . 2 . . . . 510 LYS HB3 . 16734 1 200 . 1 1 23 23 LYS HD2 H 1 1.688 0.001 . 2 . . . . 510 LYS HD2 . 16734 1 201 . 1 1 23 23 LYS HE2 H 1 2.980 0.001 . 2 . . . . 510 LYS HE2 . 16734 1 202 . 1 1 23 23 LYS HG2 H 1 1.632 0.001 . 2 . . . . 510 LYS HG2 . 16734 1 203 . 1 1 23 23 LYS HG3 H 1 1.442 0.001 . 2 . . . . 510 LYS HG3 . 16734 1 204 . 1 1 23 23 LYS C C 13 179.770 0.01 . 1 . . . . 510 LYS C . 16734 1 205 . 1 1 23 23 LYS CA C 13 60.070 0.01 . 1 . . . . 510 LYS CA . 16734 1 206 . 1 1 23 23 LYS CB C 13 31.960 0.01 . 1 . . . . 510 LYS CB . 16734 1 207 . 1 1 23 23 LYS N N 15 119.640 0.01 . 1 . . . . 510 LYS N . 16734 1 208 . 1 1 24 24 ASN H H 1 8.543 0.001 . 1 . . . . 511 ASN H . 16734 1 209 . 1 1 24 24 ASN HA H 1 4.668 0.001 . 1 . . . . 511 ASN HA . 16734 1 210 . 1 1 24 24 ASN HB2 H 1 2.950 0.001 . 2 . . . . 511 ASN HB2 . 16734 1 211 . 1 1 24 24 ASN HB3 H 1 2.635 0.001 . 2 . . . . 511 ASN HB3 . 16734 1 212 . 1 1 24 24 ASN HD21 H 1 8.052 0.001 . 2 . . . . 511 ASN HD21 . 16734 1 213 . 1 1 24 24 ASN HD22 H 1 7.134 0.001 . 2 . . . . 511 ASN HD22 . 16734 1 214 . 1 1 24 24 ASN C C 13 179.020 0.01 . 1 . . . . 511 ASN C . 16734 1 215 . 1 1 24 24 ASN CA C 13 56.440 0.01 . 1 . . . . 511 ASN CA . 16734 1 216 . 1 1 24 24 ASN CB C 13 38.430 0.01 . 1 . . . . 511 ASN CB . 16734 1 217 . 1 1 24 24 ASN N N 15 118.860 0.01 . 1 . . . . 511 ASN N . 16734 1 218 . 1 1 24 24 ASN ND2 N 15 116.340 0.01 . 1 . . . . 511 ASN ND2 . 16734 1 219 . 1 1 25 25 LEU H H 1 8.862 0.001 . 1 . . . . 512 LEU H . 16734 1 220 . 1 1 25 25 LEU HA H 1 4.296 0.001 . 1 . . . . 512 LEU HA . 16734 1 221 . 1 1 25 25 LEU HB2 H 1 2.223 0.001 . 2 . . . . 512 LEU HB2 . 16734 1 222 . 1 1 25 25 LEU HB3 H 1 1.816 0.001 . 2 . . . . 512 LEU HB3 . 16734 1 223 . 1 1 25 25 LEU HD11 H 1 0.753 0.001 . 1 . . . . 512 LEU QD1 . 16734 1 224 . 1 1 25 25 LEU HD12 H 1 0.753 0.001 . 1 . . . . 512 LEU QD1 . 16734 1 225 . 1 1 25 25 LEU HD13 H 1 0.753 0.001 . 1 . . . . 512 LEU QD1 . 16734 1 226 . 1 1 25 25 LEU HD21 H 1 0.630 0.001 . 1 . . . . 512 LEU QD2 . 16734 1 227 . 1 1 25 25 LEU HD22 H 1 0.630 0.001 . 1 . . . . 512 LEU QD2 . 16734 1 228 . 1 1 25 25 LEU HD23 H 1 0.630 0.001 . 1 . . . . 512 LEU QD2 . 16734 1 229 . 1 1 25 25 LEU HG H 1 1.625 0.001 . 1 . . . . 512 LEU HG . 16734 1 230 . 1 1 25 25 LEU C C 13 179.770 0.01 . 1 . . . . 512 LEU C . 16734 1 231 . 1 1 25 25 LEU CA C 13 59.130 0.01 . 1 . . . . 512 LEU CA . 16734 1 232 . 1 1 25 25 LEU CB C 13 41.710 0.01 . 1 . . . . 512 LEU CB . 16734 1 233 . 1 1 25 25 LEU N N 15 121.510 0.01 . 1 . . . . 512 LEU N . 16734 1 234 . 1 1 26 26 ASN H H 1 8.986 0.001 . 1 . . . . 513 ASN H . 16734 1 235 . 1 1 26 26 ASN HA H 1 5.247 0.001 . 1 . . . . 513 ASN HA . 16734 1 236 . 1 1 26 26 ASN HB2 H 1 3.315 0.001 . 2 . . . . 513 ASN HB2 . 16734 1 237 . 1 1 26 26 ASN HB3 H 1 2.901 0.001 . 2 . . . . 513 ASN HB3 . 16734 1 238 . 1 1 26 26 ASN HD21 H 1 8.294 0.001 . 2 . . . . 513 ASN HD21 . 16734 1 239 . 1 1 26 26 ASN HD22 H 1 7.609 0.001 . 2 . . . . 513 ASN HD22 . 16734 1 240 . 1 1 26 26 ASN C C 13 179.650 0.01 . 1 . . . . 513 ASN C . 16734 1 241 . 1 1 26 26 ASN CA C 13 56.480 0.01 . 1 . . . . 513 ASN CA . 16734 1 242 . 1 1 26 26 ASN CB C 13 39.950 0.01 . 1 . . . . 513 ASN CB . 16734 1 243 . 1 1 26 26 ASN N N 15 120.280 0.01 . 1 . . . . 513 ASN N . 16734 1 244 . 1 1 26 26 ASN ND2 N 15 110.500 0.01 . 1 . . . . 513 ASN ND2 . 16734 1 245 . 1 1 27 27 VAL H H 1 7.928 0.001 . 1 . . . . 514 VAL H . 16734 1 246 . 1 1 27 27 VAL HA H 1 3.693 0.001 . 1 . . . . 514 VAL HA . 16734 1 247 . 1 1 27 27 VAL HB H 1 2.349 0.001 . 1 . . . . 514 VAL HB . 16734 1 248 . 1 1 27 27 VAL HG11 H 1 1.189 0.001 . 1 . . . . 514 VAL QG1 . 16734 1 249 . 1 1 27 27 VAL HG12 H 1 1.189 0.001 . 1 . . . . 514 VAL QG1 . 16734 1 250 . 1 1 27 27 VAL HG13 H 1 1.189 0.001 . 1 . . . . 514 VAL QG1 . 16734 1 251 . 1 1 27 27 VAL HG21 H 1 0.753 0.001 . 1 . . . . 514 VAL QG2 . 16734 1 252 . 1 1 27 27 VAL HG22 H 1 0.753 0.001 . 1 . . . . 514 VAL QG2 . 16734 1 253 . 1 1 27 27 VAL HG23 H 1 0.753 0.001 . 1 . . . . 514 VAL QG2 . 16734 1 254 . 1 1 27 27 VAL C C 13 177.710 0.01 . 1 . . . . 514 VAL C . 16734 1 255 . 1 1 27 27 VAL CA C 13 66.520 0.01 . 1 . . . . 514 VAL CA . 16734 1 256 . 1 1 27 27 VAL CB C 13 29.570 0.01 . 1 . . . . 514 VAL CB . 16734 1 257 . 1 1 27 27 VAL N N 15 122.190 0.01 . 1 . . . . 514 VAL N . 16734 1 258 . 1 1 28 28 TYR H H 1 7.448 0.001 . 1 . . . . 515 TYR H . 16734 1 259 . 1 1 28 28 TYR HA H 1 4.242 0.001 . 1 . . . . 515 TYR HA . 16734 1 260 . 1 1 28 28 TYR HB2 H 1 3.266 0.001 . 2 . . . . 515 TYR HB2 . 16734 1 261 . 1 1 28 28 TYR HB3 H 1 3.220 0.001 . 2 . . . . 515 TYR HB3 . 16734 1 262 . 1 1 28 28 TYR HD1 H 1 7.438 0.001 . 3 . . . . 515 TYR QD . 16734 1 263 . 1 1 28 28 TYR HD2 H 1 7.438 0.001 . 3 . . . . 515 TYR QD . 16734 1 264 . 1 1 28 28 TYR HE1 H 1 6.943 0.001 . 3 . . . . 515 TYR QE . 16734 1 265 . 1 1 28 28 TYR HE2 H 1 6.943 0.001 . 3 . . . . 515 TYR QE . 16734 1 266 . 1 1 28 28 TYR C C 13 174.720 0.01 . 1 . . . . 515 TYR C . 16734 1 267 . 1 1 28 28 TYR CA C 13 59.740 0.01 . 1 . . . . 515 TYR CA . 16734 1 268 . 1 1 28 28 TYR CB C 13 33.880 0.01 . 1 . . . . 515 TYR CB . 16734 1 269 . 1 1 28 28 TYR N N 15 117.820 0.01 . 1 . . . . 515 TYR N . 16734 1 270 . 1 1 29 29 GLY H H 1 7.788 0.001 . 1 . . . . 516 GLY H . 16734 1 271 . 1 1 29 29 GLY HA2 H 1 4.149 0.001 . 2 . . . . 516 GLY HA2 . 16734 1 272 . 1 1 29 29 GLY HA3 H 1 3.481 0.001 . 2 . . . . 516 GLY HA3 . 16734 1 273 . 1 1 29 29 GLY C C 13 173.550 0.01 . 1 . . . . 516 GLY C . 16734 1 274 . 1 1 29 29 GLY CA C 13 44.200 0.01 . 1 . . . . 516 GLY CA . 16734 1 275 . 1 1 29 29 GLY N N 15 104.470 0.01 . 1 . . . . 516 GLY N . 16734 1 276 . 1 1 30 30 PHE H H 1 7.624 0.001 . 1 . . . . 517 PHE H . 16734 1 277 . 1 1 30 30 PHE HA H 1 4.863 0.001 . 1 . . . . 517 PHE HA . 16734 1 278 . 1 1 30 30 PHE HB2 H 1 3.180 0.001 . 2 . . . . 517 PHE HB2 . 16734 1 279 . 1 1 30 30 PHE HB3 H 1 2.805 0.001 . 2 . . . . 517 PHE HB3 . 16734 1 280 . 1 1 30 30 PHE HD1 H 1 7.524 0.001 . 3 . . . . 517 PHE QD . 16734 1 281 . 1 1 30 30 PHE HD2 H 1 7.524 0.001 . 3 . . . . 517 PHE QD . 16734 1 282 . 1 1 30 30 PHE HE1 H 1 7.172 0.001 . 3 . . . . 517 PHE QE . 16734 1 283 . 1 1 30 30 PHE HE2 H 1 7.172 0.001 . 3 . . . . 517 PHE QE . 16734 1 284 . 1 1 30 30 PHE HZ H 1 7.006 0.001 . 1 . . . . 517 PHE HZ . 16734 1 285 . 1 1 30 30 PHE C C 13 176.020 0.01 . 1 . . . . 517 PHE C . 16734 1 286 . 1 1 30 30 PHE CA C 13 58.770 0.01 . 1 . . . . 517 PHE CA . 16734 1 287 . 1 1 30 30 PHE CB C 13 39.470 0.01 . 1 . . . . 517 PHE CB . 16734 1 288 . 1 1 30 30 PHE N N 15 120.280 0.01 . 1 . . . . 517 PHE N . 16734 1 289 . 1 1 31 31 THR H H 1 8.169 0.001 . 1 . . . . 518 THR H . 16734 1 290 . 1 1 31 31 THR HA H 1 4.280 0.001 . 1 . . . . 518 THR HA . 16734 1 291 . 1 1 31 31 THR HB H 1 4.910 0.001 . 1 . . . . 518 THR HB . 16734 1 292 . 1 1 31 31 THR HG21 H 1 1.081 0.001 . 1 . . . . 518 THR QG2 . 16734 1 293 . 1 1 31 31 THR HG22 H 1 1.081 0.001 . 1 . . . . 518 THR QG2 . 16734 1 294 . 1 1 31 31 THR HG23 H 1 1.081 0.001 . 1 . . . . 518 THR QG2 . 16734 1 295 . 1 1 31 31 THR C C 13 173.720 0.01 . 1 . . . . 518 THR C . 16734 1 296 . 1 1 31 31 THR CA C 13 61.620 0.01 . 1 . . . . 518 THR CA . 16734 1 297 . 1 1 31 31 THR CB C 13 71.830 0.01 . 1 . . . . 518 THR CB . 16734 1 298 . 1 1 31 31 THR N N 15 109.390 0.01 . 1 . . . . 518 THR N . 16734 1 299 . 1 1 32 32 LYS H H 1 7.889 0.001 . 1 . . . . 519 LYS H . 16734 1 300 . 1 1 32 32 LYS HA H 1 4.290 0.001 . 1 . . . . 519 LYS HA . 16734 1 301 . 1 1 32 32 LYS HB2 H 1 1.663 0.001 . 2 . . . . 519 LYS HB2 . 16734 1 302 . 1 1 32 32 LYS HB3 H 1 1.525 0.001 . 2 . . . . 519 LYS HB3 . 16734 1 303 . 1 1 32 32 LYS HD2 H 1 1.464 0.001 . 2 . . . . 519 LYS HD2 . 16734 1 304 . 1 1 32 32 LYS HE2 H 1 2.980 0.001 . 2 . . . . 519 LYS HE2 . 16734 1 305 . 1 1 32 32 LYS HG2 H 1 1.326 0.001 . 2 . . . . 519 LYS HG2 . 16734 1 306 . 1 1 32 32 LYS HG3 H 1 1.181 0.001 . 2 . . . . 519 LYS HG3 . 16734 1 307 . 1 1 32 32 LYS C C 13 173.360 0.01 . 1 . . . . 519 LYS C . 16734 1 308 . 1 1 32 32 LYS CA C 13 55.790 0.01 . 1 . . . . 519 LYS CA . 16734 1 309 . 1 1 32 32 LYS CB C 13 34.200 0.01 . 1 . . . . 519 LYS CB . 16734 1 310 . 1 1 32 32 LYS N N 15 125.140 0.01 . 1 . . . . 519 LYS N . 16734 1 311 . 1 1 33 33 PHE H H 1 8.301 0.001 . 1 . . . . 520 PHE H . 16734 1 312 . 1 1 33 33 PHE HA H 1 6.023 0.001 . 1 . . . . 520 PHE HA . 16734 1 313 . 1 1 33 33 PHE HB2 H 1 3.310 0.001 . 2 . . . . 520 PHE HB2 . 16734 1 314 . 1 1 33 33 PHE HB3 H 1 2.691 0.001 . 2 . . . . 520 PHE HB3 . 16734 1 315 . 1 1 33 33 PHE HD1 H 1 7.195 0.001 . 3 . . . . 520 PHE QD . 16734 1 316 . 1 1 33 33 PHE HD2 H 1 7.195 0.001 . 3 . . . . 520 PHE QD . 16734 1 317 . 1 1 33 33 PHE HE1 H 1 7.080 0.001 . 3 . . . . 520 PHE QE . 16734 1 318 . 1 1 33 33 PHE HE2 H 1 7.080 0.001 . 3 . . . . 520 PHE QE . 16734 1 319 . 1 1 33 33 PHE HZ H 1 7.020 0.001 . 1 . . . . 520 PHE HZ . 16734 1 320 . 1 1 33 33 PHE C C 13 175.830 0.01 . 1 . . . . 520 PHE C . 16734 1 321 . 1 1 33 33 PHE CA C 13 55.130 0.01 . 1 . . . . 520 PHE CA . 16734 1 322 . 1 1 33 33 PHE CB C 13 43.370 0.01 . 1 . . . . 520 PHE CB . 16734 1 323 . 1 1 33 33 PHE N N 15 121.020 0.01 . 1 . . . . 520 PHE N . 16734 1 324 . 1 1 34 34 SER H H 1 8.784 0.001 . 1 . . . . 521 SER H . 16734 1 325 . 1 1 34 34 SER HA H 1 4.745 0.001 . 1 . . . . 521 SER HA . 16734 1 326 . 1 1 34 34 SER HB2 H 1 4.008 0.001 . 2 . . . . 521 SER HB2 . 16734 1 327 . 1 1 34 34 SER HB3 H 1 3.612 0.001 . 2 . . . . 521 SER HB3 . 16734 1 328 . 1 1 34 34 SER C C 13 173.600 0.01 . 1 . . . . 521 SER C . 16734 1 329 . 1 1 34 34 SER CA C 13 56.730 0.01 . 1 . . . . 521 SER CA . 16734 1 330 . 1 1 34 34 SER CB C 13 65.520 0.01 . 1 . . . . 521 SER CB . 16734 1 331 . 1 1 34 34 SER N N 15 118.310 0.01 . 1 . . . . 521 SER N . 16734 1 332 . 1 1 35 35 GLN H H 1 8.784 0.001 . 1 . . . . 522 GLN H . 16734 1 333 . 1 1 35 35 GLN HA H 1 5.512 0.001 . 1 . . . . 522 GLN HA . 16734 1 334 . 1 1 35 35 GLN HB2 H 1 1.989 0.001 . 2 . . . . 522 GLN HB2 . 16734 1 335 . 1 1 35 35 GLN HB3 H 1 1.875 0.001 . 2 . . . . 522 GLN HB3 . 16734 1 336 . 1 1 35 35 GLN HE21 H 1 7.500 0.001 . 2 . . . . 522 GLN HE21 . 16734 1 337 . 1 1 35 35 GLN HE22 H 1 6.831 0.001 . 2 . . . . 522 GLN HE22 . 16734 1 338 . 1 1 35 35 GLN HG2 H 1 2.240 0.001 . 2 . . . . 522 GLN HG2 . 16734 1 339 . 1 1 35 35 GLN HG3 H 1 2.145 0.001 . 2 . . . . 522 GLN HG3 . 16734 1 340 . 1 1 35 35 GLN C C 13 174.430 0.01 . 1 . . . . 522 GLN C . 16734 1 341 . 1 1 35 35 GLN CA C 13 55.580 0.01 . 1 . . . . 522 GLN CA . 16734 1 342 . 1 1 35 35 GLN CB C 13 33.000 0.01 . 1 . . . . 522 GLN CB . 16734 1 343 . 1 1 35 35 GLN N N 15 119.480 0.01 . 1 . . . . 522 GLN N . 16734 1 344 . 1 1 35 35 GLN NE2 N 15 111.090 0.01 . 1 . . . . 522 GLN NE2 . 16734 1 345 . 1 1 36 36 ALA H H 1 8.846 0.001 . 1 . . . . 523 ALA H . 16734 1 346 . 1 1 36 36 ALA HA H 1 4.656 0.001 . 1 . . . . 523 ALA HA . 16734 1 347 . 1 1 36 36 ALA HB1 H 1 1.190 0.001 . 1 . . . . 523 ALA QB . 16734 1 348 . 1 1 36 36 ALA HB2 H 1 1.190 0.001 . 1 . . . . 523 ALA QB . 16734 1 349 . 1 1 36 36 ALA HB3 H 1 1.190 0.001 . 1 . . . . 523 ALA QB . 16734 1 350 . 1 1 36 36 ALA C C 13 175.640 0.01 . 1 . . . . 523 ALA C . 16734 1 351 . 1 1 36 36 ALA CA C 13 51.010 0.01 . 1 . . . . 523 ALA CA . 16734 1 352 . 1 1 36 36 ALA CB C 13 22.140 0.01 . 1 . . . . 523 ALA CB . 16734 1 353 . 1 1 36 36 ALA N N 15 126.740 0.01 . 1 . . . . 523 ALA N . 16734 1 354 . 1 1 37 37 SER H H 1 8.823 0.001 . 1 . . . . 524 SER H . 16734 1 355 . 1 1 37 37 SER HA H 1 5.267 0.001 . 1 . . . . 524 SER HA . 16734 1 356 . 1 1 37 37 SER HB2 H 1 3.721 0.001 . 2 . . . . 524 SER HB2 . 16734 1 357 . 1 1 37 37 SER HB3 H 1 3.690 0.001 . 2 . . . . 524 SER HB3 . 16734 1 358 . 1 1 37 37 SER C C 13 174.930 0.01 . 1 . . . . 524 SER C . 16734 1 359 . 1 1 37 37 SER CA C 13 57.790 0.01 . 1 . . . . 524 SER CA . 16734 1 360 . 1 1 37 37 SER CB C 13 63.760 0.01 . 1 . . . . 524 SER CB . 16734 1 361 . 1 1 37 37 SER N N 15 119.230 0.01 . 1 . . . . 524 SER N . 16734 1 362 . 1 1 38 38 VAL H H 1 8.698 0.001 . 1 . . . . 525 VAL H . 16734 1 363 . 1 1 38 38 VAL HA H 1 4.735 0.001 . 1 . . . . 525 VAL HA . 16734 1 364 . 1 1 38 38 VAL HB H 1 2.105 0.001 . 1 . . . . 525 VAL HB . 16734 1 365 . 1 1 38 38 VAL HG11 H 1 0.719 0.001 . 1 . . . . 525 VAL QG1 . 16734 1 366 . 1 1 38 38 VAL HG12 H 1 0.719 0.001 . 1 . . . . 525 VAL QG1 . 16734 1 367 . 1 1 38 38 VAL HG13 H 1 0.719 0.001 . 1 . . . . 525 VAL QG1 . 16734 1 368 . 1 1 38 38 VAL HG21 H 1 0.614 0.001 . 1 . . . . 525 VAL QG2 . 16734 1 369 . 1 1 38 38 VAL HG22 H 1 0.614 0.001 . 1 . . . . 525 VAL QG2 . 16734 1 370 . 1 1 38 38 VAL HG23 H 1 0.614 0.001 . 1 . . . . 525 VAL QG2 . 16734 1 371 . 1 1 38 38 VAL C C 13 174.450 0.01 . 1 . . . . 525 VAL C . 16734 1 372 . 1 1 38 38 VAL CA C 13 58.890 0.01 . 1 . . . . 525 VAL CA . 16734 1 373 . 1 1 38 38 VAL CB C 13 35.640 0.01 . 1 . . . . 525 VAL CB . 16734 1 374 . 1 1 38 38 VAL N N 15 118.190 0.01 . 1 . . . . 525 VAL N . 16734 1 375 . 1 1 39 39 ASP H H 1 8.519 0.001 . 1 . . . . 526 ASP H . 16734 1 376 . 1 1 39 39 ASP HA H 1 4.999 0.001 . 1 . . . . 526 ASP HA . 16734 1 377 . 1 1 39 39 ASP HB2 H 1 2.601 0.001 . 2 . . . . 526 ASP HB2 . 16734 1 378 . 1 1 39 39 ASP HB3 H 1 2.420 0.001 . 2 . . . . 526 ASP HB3 . 16734 1 379 . 1 1 39 39 ASP C C 13 176.100 0.01 . 1 . . . . 526 ASP C . 16734 1 380 . 1 1 39 39 ASP CA C 13 54.850 0.01 . 1 . . . . 526 ASP CA . 16734 1 381 . 1 1 39 39 ASP CB C 13 40.990 0.01 . 1 . . . . 526 ASP CB . 16734 1 382 . 1 1 39 39 ASP N N 15 123.970 0.01 . 1 . . . . 526 ASP N . 16734 1 383 . 1 1 40 40 SER H H 1 7.866 0.001 . 1 . . . . 527 SER H . 16734 1 384 . 1 1 40 40 SER HA H 1 4.776 0.001 . 1 . . . . 527 SER HA . 16734 1 385 . 1 1 40 40 SER HB2 H 1 4.057 0.001 . 2 . . . . 527 SER HB2 . 16734 1 386 . 1 1 40 40 SER HB3 H 1 3.700 0.001 . 2 . . . . 527 SER HB3 . 16734 1 387 . 1 1 40 40 SER C C 13 173.410 0.01 . 1 . . . . 527 SER C . 16734 1 388 . 1 1 40 40 SER CA C 13 56.440 0.01 . 1 . . . . 527 SER CA . 16734 1 389 . 1 1 40 40 SER CB C 13 64.100 0.01 . 1 . . . . 527 SER CB . 16734 1 390 . 1 1 40 40 SER N N 15 117.940 0.01 . 1 . . . . 527 SER N . 16734 1 391 . 1 1 41 41 PRO HA H 1 4.150 0.001 . 1 . . . . 528 PRO HA . 16734 1 392 . 1 1 41 41 PRO C C 13 178.020 0.01 . 1 . . . . 528 PRO C . 16734 1 393 . 1 1 41 41 PRO CA C 13 61.950 0.01 . 1 . . . . 528 PRO CA . 16734 1 394 . 1 1 41 41 PRO CB C 13 31.960 0.01 . 1 . . . . 528 PRO CB . 16734 1 395 . 1 1 42 42 ARG H H 1 8.613 0.001 . 1 . . . . 529 ARG H . 16734 1 396 . 1 1 42 42 ARG HA H 1 4.268 0.001 . 1 . . . . 529 ARG HA . 16734 1 397 . 1 1 42 42 ARG HB2 H 1 1.796 0.001 . 2 . . . . 529 ARG HB2 . 16734 1 398 . 1 1 42 42 ARG HB3 H 1 1.728 0.001 . 2 . . . . 529 ARG HB3 . 16734 1 399 . 1 1 42 42 ARG HD2 H 1 3.227 0.001 . 2 . . . . 529 ARG HD2 . 16734 1 400 . 1 1 42 42 ARG HD3 H 1 3.035 0.001 . 2 . . . . 529 ARG HD3 . 16734 1 401 . 1 1 42 42 ARG HE H 1 7.985 0.001 . 1 . . . . 529 ARG HE . 16734 1 402 . 1 1 42 42 ARG HG2 H 1 1.616 0.001 . 2 . . . . 529 ARG HG2 . 16734 1 403 . 1 1 42 42 ARG HG3 H 1 1.447 0.001 . 2 . . . . 529 ARG HG3 . 16734 1 404 . 1 1 42 42 ARG C C 13 174.300 0.01 . 1 . . . . 529 ARG C . 16734 1 405 . 1 1 42 42 ARG CA C 13 54.070 0.01 . 1 . . . . 529 ARG CA . 16734 1 406 . 1 1 42 42 ARG CB C 13 26.940 0.01 . 1 . . . . 529 ARG CB . 16734 1 407 . 1 1 42 42 ARG N N 15 122.060 0.01 . 1 . . . . 529 ARG N . 16734 1 408 . 1 1 42 42 ARG NE N 15 83.420 0.01 . 1 . . . . 529 ARG NE . 16734 1 409 . 1 1 43 43 PRO HA H 1 4.169 0.001 . 1 . . . . 530 PRO HA . 16734 1 410 . 1 1 43 43 PRO HB2 H 1 2.280 0.001 . 2 . . . . 530 PRO HB2 . 16734 1 411 . 1 1 43 43 PRO HB3 H 1 1.648 0.001 . 2 . . . . 530 PRO HB3 . 16734 1 412 . 1 1 43 43 PRO HD2 H 1 3.792 0.001 . 2 . . . . 530 PRO HD2 . 16734 1 413 . 1 1 43 43 PRO HD3 H 1 3.696 0.001 . 2 . . . . 530 PRO HD3 . 16734 1 414 . 1 1 43 43 PRO HG2 H 1 2.040 0.001 . 2 . . . . 530 PRO HG2 . 16734 1 415 . 1 1 43 43 PRO HG3 H 1 1.934 0.001 . 2 . . . . 530 PRO HG3 . 16734 1 416 . 1 1 43 43 PRO C C 13 175.000 0.01 . 1 . . . . 530 PRO C . 16734 1 417 . 1 1 43 43 PRO CA C 13 62.930 0.01 . 1 . . . . 530 PRO CA . 16734 1 418 . 1 1 43 43 PRO CB C 13 32.440 0.01 . 1 . . . . 530 PRO CB . 16734 1 419 . 1 1 44 44 ALA H H 1 8.613 0.001 . 1 . . . . 531 ALA H . 16734 1 420 . 1 1 44 44 ALA HA H 1 3.765 0.001 . 1 . . . . 531 ALA HA . 16734 1 421 . 1 1 44 44 ALA HB1 H 1 1.257 0.001 . 1 . . . . 531 ALA QB . 16734 1 422 . 1 1 44 44 ALA HB2 H 1 1.257 0.001 . 1 . . . . 531 ALA QB . 16734 1 423 . 1 1 44 44 ALA HB3 H 1 1.257 0.001 . 1 . . . . 531 ALA QB . 16734 1 424 . 1 1 44 44 ALA C C 13 179.590 0.01 . 1 . . . . 531 ALA C . 16734 1 425 . 1 1 44 44 ALA CA C 13 52.890 0.01 . 1 . . . . 531 ALA CA . 16734 1 426 . 1 1 44 44 ALA CB C 13 18.140 0.01 . 1 . . . . 531 ALA CB . 16734 1 427 . 1 1 44 44 ALA N N 15 124.090 0.01 . 1 . . . . 531 ALA N . 16734 1 428 . 1 1 45 45 GLY H H 1 8.519 0.001 . 1 . . . . 532 GLY H . 16734 1 429 . 1 1 45 45 GLY HA2 H 1 4.366 0.001 . 2 . . . . 532 GLY HA2 . 16734 1 430 . 1 1 45 45 GLY HA3 H 1 3.419 0.001 . 2 . . . . 532 GLY HA3 . 16734 1 431 . 1 1 45 45 GLY C C 13 173.550 0.01 . 1 . . . . 532 GLY C . 16734 1 432 . 1 1 45 45 GLY CA C 13 45.100 0.01 . 1 . . . . 532 GLY CA . 16734 1 433 . 1 1 45 45 GLY N N 15 109.630 0.01 . 1 . . . . 532 GLY N . 16734 1 434 . 1 1 46 46 GLU H H 1 8.006 0.001 . 1 . . . . 533 GLU H . 16734 1 435 . 1 1 46 46 GLU HA H 1 4.107 0.001 . 1 . . . . 533 GLU HA . 16734 1 436 . 1 1 46 46 GLU HB2 H 1 1.917 0.001 . 2 . . . . 533 GLU HB2 . 16734 1 437 . 1 1 46 46 GLU HB3 H 1 1.792 0.001 . 2 . . . . 533 GLU HB3 . 16734 1 438 . 1 1 46 46 GLU HG2 H 1 2.044 0.001 . 2 . . . . 533 GLU HG2 . 16734 1 439 . 1 1 46 46 GLU HG3 H 1 1.997 0.001 . 2 . . . . 533 GLU HG3 . 16734 1 440 . 1 1 46 46 GLU C C 13 175.740 0.01 . 1 . . . . 533 GLU C . 16734 1 441 . 1 1 46 46 GLU CA C 13 56.970 0.01 . 1 . . . . 533 GLU CA . 16734 1 442 . 1 1 46 46 GLU CB C 13 31.800 0.01 . 1 . . . . 533 GLU CB . 16734 1 443 . 1 1 46 46 GLU N N 15 121.020 0.01 . 1 . . . . 533 GLU N . 16734 1 444 . 1 1 47 47 VAL H H 1 9.228 0.001 . 1 . . . . 534 VAL H . 16734 1 445 . 1 1 47 47 VAL HA H 1 4.534 0.001 . 1 . . . . 534 VAL HA . 16734 1 446 . 1 1 47 47 VAL HB H 1 2.244 0.001 . 1 . . . . 534 VAL HB . 16734 1 447 . 1 1 47 47 VAL HG11 H 1 0.881 0.001 . 1 . . . . 534 VAL QG1 . 16734 1 448 . 1 1 47 47 VAL HG12 H 1 0.881 0.001 . 1 . . . . 534 VAL QG1 . 16734 1 449 . 1 1 47 47 VAL HG13 H 1 0.881 0.001 . 1 . . . . 534 VAL QG1 . 16734 1 450 . 1 1 47 47 VAL HG21 H 1 0.810 0.001 . 1 . . . . 534 VAL QG2 . 16734 1 451 . 1 1 47 47 VAL HG22 H 1 0.810 0.001 . 1 . . . . 534 VAL QG2 . 16734 1 452 . 1 1 47 47 VAL HG23 H 1 0.810 0.001 . 1 . . . . 534 VAL QG2 . 16734 1 453 . 1 1 47 47 VAL C C 13 177.470 0.01 . 1 . . . . 534 VAL C . 16734 1 454 . 1 1 47 47 VAL CA C 13 62.930 0.01 . 1 . . . . 534 VAL CA . 16734 1 455 . 1 1 47 47 VAL CB C 13 31.720 0.01 . 1 . . . . 534 VAL CB . 16734 1 456 . 1 1 47 47 VAL N N 15 126.800 0.01 . 1 . . . . 534 VAL N . 16734 1 457 . 1 1 48 48 THR H H 1 9.508 0.001 . 1 . . . . 535 THR H . 16734 1 458 . 1 1 48 48 THR HA H 1 4.450 0.001 . 1 . . . . 535 THR HA . 16734 1 459 . 1 1 48 48 THR HB H 1 4.189 0.001 . 1 . . . . 535 THR HB . 16734 1 460 . 1 1 48 48 THR HG21 H 1 1.026 0.001 . 1 . . . . 535 THR QG2 . 16734 1 461 . 1 1 48 48 THR HG22 H 1 1.026 0.001 . 1 . . . . 535 THR QG2 . 16734 1 462 . 1 1 48 48 THR HG23 H 1 1.026 0.001 . 1 . . . . 535 THR QG2 . 16734 1 463 . 1 1 48 48 THR C C 13 175.000 0.01 . 1 . . . . 535 THR C . 16734 1 464 . 1 1 48 48 THR CA C 13 62.110 0.01 . 1 . . . . 535 THR CA . 16734 1 465 . 1 1 48 48 THR CB C 13 68.160 0.01 . 1 . . . . 535 THR CB . 16734 1 466 . 1 1 48 48 THR N N 15 120.220 0.01 . 1 . . . . 535 THR N . 16734 1 467 . 1 1 49 49 GLY H H 1 7.648 0.001 . 1 . . . . 536 GLY H . 16734 1 468 . 1 1 49 49 GLY HA2 H 1 4.327 0.001 . 2 . . . . 536 GLY HA2 . 16734 1 469 . 1 1 49 49 GLY HA3 H 1 4.291 0.001 . 2 . . . . 536 GLY HA3 . 16734 1 470 . 1 1 49 49 GLY C C 13 170.660 0.01 . 1 . . . . 536 GLY C . 16734 1 471 . 1 1 49 49 GLY CA C 13 44.240 0.01 . 1 . . . . 536 GLY CA . 16734 1 472 . 1 1 49 49 GLY N N 15 110.740 0.01 . 1 . . . . 536 GLY N . 16734 1 473 . 1 1 50 50 THR H H 1 8.340 0.001 . 1 . . . . 537 THR H . 16734 1 474 . 1 1 50 50 THR HA H 1 5.289 0.001 . 1 . . . . 537 THR HA . 16734 1 475 . 1 1 50 50 THR HB H 1 4.033 0.001 . 1 . . . . 537 THR HB . 16734 1 476 . 1 1 50 50 THR HG21 H 1 0.891 0.001 . 1 . . . . 537 THR QG2 . 16734 1 477 . 1 1 50 50 THR HG22 H 1 0.891 0.001 . 1 . . . . 537 THR QG2 . 16734 1 478 . 1 1 50 50 THR HG23 H 1 0.891 0.001 . 1 . . . . 537 THR QG2 . 16734 1 479 . 1 1 50 50 THR C C 13 174.030 0.01 . 1 . . . . 537 THR C . 16734 1 480 . 1 1 50 50 THR CA C 13 59.500 0.01 . 1 . . . . 537 THR CA . 16734 1 481 . 1 1 50 50 THR CB C 13 73.030 0.01 . 1 . . . . 537 THR CB . 16734 1 482 . 1 1 50 50 THR N N 15 107.540 0.01 . 1 . . . . 537 THR N . 16734 1 483 . 1 1 51 51 ASN H H 1 8.823 0.001 . 1 . . . . 538 ASN H . 16734 1 484 . 1 1 51 51 ASN HA H 1 4.672 0.001 . 1 . . . . 538 ASN HA . 16734 1 485 . 1 1 51 51 ASN HB2 H 1 2.831 0.001 . 2 . . . . 538 ASN HB2 . 16734 1 486 . 1 1 51 51 ASN HB3 H 1 2.482 0.001 . 2 . . . . 538 ASN HB3 . 16734 1 487 . 1 1 51 51 ASN HD21 H 1 7.531 0.001 . 2 . . . . 538 ASN HD21 . 16734 1 488 . 1 1 51 51 ASN HD22 H 1 6.839 0.001 . 2 . . . . 538 ASN HD22 . 16734 1 489 . 1 1 51 51 ASN C C 13 174.200 0.01 . 1 . . . . 538 ASN C . 16734 1 490 . 1 1 51 51 ASN CA C 13 50.480 0.01 . 1 . . . . 538 ASN CA . 16734 1 491 . 1 1 51 51 ASN CB C 13 41.910 0.01 . 1 . . . . 538 ASN CB . 16734 1 492 . 1 1 51 51 ASN N N 15 117.450 0.01 . 1 . . . . 538 ASN N . 16734 1 493 . 1 1 51 51 ASN ND2 N 15 112.400 0.01 . 1 . . . . 538 ASN ND2 . 16734 1 494 . 1 1 52 52 PRO HD2 H 1 4.310 0.001 . 2 . . . . 539 PRO HD2 . 16734 1 495 . 1 1 52 52 PRO HD3 H 1 4.180 0.001 . 2 . . . . 539 PRO HD3 . 16734 1 496 . 1 1 53 53 PRO HA H 1 4.725 0.001 . 1 . . . . 540 PRO HA . 16734 1 497 . 1 1 53 53 PRO HB2 H 1 2.361 0.001 . 2 . . . . 540 PRO HB2 . 16734 1 498 . 1 1 53 53 PRO HB3 H 1 1.764 0.001 . 2 . . . . 540 PRO HB3 . 16734 1 499 . 1 1 53 53 PRO HG2 H 1 1.987 0.001 . 2 . . . . 540 PRO HG2 . 16734 1 500 . 1 1 53 53 PRO HG3 H 1 1.987 0.001 . 2 . . . . 540 PRO HG3 . 16734 1 501 . 1 1 53 53 PRO C C 13 177.020 0.01 . 1 . . . . 540 PRO C . 16734 1 502 . 1 1 53 53 PRO CA C 13 62.310 0.01 . 1 . . . . 540 PRO CA . 16734 1 503 . 1 1 53 53 PRO CB C 13 33.720 0.01 . 1 . . . . 540 PRO CB . 16734 1 504 . 1 1 54 54 ALA H H 1 8.613 0.001 . 1 . . . . 541 ALA H . 16734 1 505 . 1 1 54 54 ALA HA H 1 3.658 0.001 . 1 . . . . 541 ALA HA . 16734 1 506 . 1 1 54 54 ALA HB1 H 1 1.333 0.001 . 1 . . . . 541 ALA QB . 16734 1 507 . 1 1 54 54 ALA HB2 H 1 1.333 0.001 . 1 . . . . 541 ALA QB . 16734 1 508 . 1 1 54 54 ALA HB3 H 1 1.333 0.001 . 1 . . . . 541 ALA QB . 16734 1 509 . 1 1 54 54 ALA C C 13 178.210 0.01 . 1 . . . . 541 ALA C . 16734 1 510 . 1 1 54 54 ALA CA C 13 53.710 0.01 . 1 . . . . 541 ALA CA . 16734 1 511 . 1 1 54 54 ALA CB C 13 18.220 0.01 . 1 . . . . 541 ALA CB . 16734 1 512 . 1 1 54 54 ALA N N 15 123.100 0.01 . 1 . . . . 541 ALA N . 16734 1 513 . 1 1 55 55 GLY H H 1 9.486 0.001 . 1 . . . . 542 GLY H . 16734 1 514 . 1 1 55 55 GLY HA2 H 1 4.305 0.001 . 2 . . . . 542 GLY HA2 . 16734 1 515 . 1 1 55 55 GLY HA3 H 1 3.646 0.001 . 2 . . . . 542 GLY HA3 . 16734 1 516 . 1 1 55 55 GLY C C 13 174.220 0.01 . 1 . . . . 542 GLY C . 16734 1 517 . 1 1 55 55 GLY CA C 13 44.980 0.01 . 1 . . . . 542 GLY CA . 16734 1 518 . 1 1 55 55 GLY N N 15 111.170 0.01 . 1 . . . . 542 GLY N . 16734 1 519 . 1 1 56 56 THR H H 1 7.679 0.001 . 1 . . . . 543 THR H . 16734 1 520 . 1 1 56 56 THR HA H 1 4.146 0.001 . 1 . . . . 543 THR HA . 16734 1 521 . 1 1 56 56 THR HB H 1 3.885 0.001 . 1 . . . . 543 THR HB . 16734 1 522 . 1 1 56 56 THR HG21 H 1 1.231 0.001 . 1 . . . . 543 THR QG2 . 16734 1 523 . 1 1 56 56 THR HG22 H 1 1.231 0.001 . 1 . . . . 543 THR QG2 . 16734 1 524 . 1 1 56 56 THR HG23 H 1 1.231 0.001 . 1 . . . . 543 THR QG2 . 16734 1 525 . 1 1 56 56 THR C C 13 173.560 0.01 . 1 . . . . 543 THR C . 16734 1 526 . 1 1 56 56 THR CA C 13 63.870 0.01 . 1 . . . . 543 THR CA . 16734 1 527 . 1 1 56 56 THR CB C 13 69.280 0.01 . 1 . . . . 543 THR CB . 16734 1 528 . 1 1 56 56 THR N N 15 117.450 0.01 . 1 . . . . 543 THR N . 16734 1 529 . 1 1 57 57 THR H H 1 8.838 0.001 . 1 . . . . 544 THR H . 16734 1 530 . 1 1 57 57 THR HA H 1 4.770 0.001 . 1 . . . . 544 THR HA . 16734 1 531 . 1 1 57 57 THR HB H 1 3.919 0.001 . 1 . . . . 544 THR HB . 16734 1 532 . 1 1 57 57 THR HG21 H 1 1.231 0.001 . 1 . . . . 544 THR QG2 . 16734 1 533 . 1 1 57 57 THR HG22 H 1 1.231 0.001 . 1 . . . . 544 THR QG2 . 16734 1 534 . 1 1 57 57 THR HG23 H 1 1.231 0.001 . 1 . . . . 544 THR QG2 . 16734 1 535 . 1 1 57 57 THR C C 13 174.570 0.01 . 1 . . . . 544 THR C . 16734 1 536 . 1 1 57 57 THR CA C 13 63.010 0.01 . 1 . . . . 544 THR CA . 16734 1 537 . 1 1 57 57 THR CB C 13 68.800 0.01 . 1 . . . . 544 THR CB . 16734 1 538 . 1 1 57 57 THR N N 15 125.080 0.01 . 1 . . . . 544 THR N . 16734 1 539 . 1 1 58 58 VAL H H 1 8.776 0.001 . 1 . . . . 545 VAL H . 16734 1 540 . 1 1 58 58 VAL HA H 1 5.083 0.001 . 1 . . . . 545 VAL HA . 16734 1 541 . 1 1 58 58 VAL HB H 1 2.580 0.001 . 1 . . . . 545 VAL HB . 16734 1 542 . 1 1 58 58 VAL HG11 H 1 1.047 0.001 . 1 . . . . 545 VAL QG1 . 16734 1 543 . 1 1 58 58 VAL HG12 H 1 1.047 0.001 . 1 . . . . 545 VAL QG1 . 16734 1 544 . 1 1 58 58 VAL HG13 H 1 1.047 0.001 . 1 . . . . 545 VAL QG1 . 16734 1 545 . 1 1 58 58 VAL HG21 H 1 0.881 0.001 . 1 . . . . 545 VAL QG2 . 16734 1 546 . 1 1 58 58 VAL HG22 H 1 0.881 0.001 . 1 . . . . 545 VAL QG2 . 16734 1 547 . 1 1 58 58 VAL HG23 H 1 0.881 0.001 . 1 . . . . 545 VAL QG2 . 16734 1 548 . 1 1 58 58 VAL C C 13 173.100 0.01 . 1 . . . . 545 VAL C . 16734 1 549 . 1 1 58 58 VAL CA C 13 58.150 0.01 . 1 . . . . 545 VAL CA . 16734 1 550 . 1 1 58 58 VAL CB C 13 34.240 0.01 . 1 . . . . 545 VAL CB . 16734 1 551 . 1 1 58 58 VAL N N 15 121.200 0.01 . 1 . . . . 545 VAL N . 16734 1 552 . 1 1 59 59 PRO HA H 1 4.900 0.001 . 1 . . . . 546 PRO HA . 16734 1 553 . 1 1 59 59 PRO HB2 H 1 2.591 0.001 . 2 . . . . 546 PRO HB2 . 16734 1 554 . 1 1 59 59 PRO HB3 H 1 2.172 0.001 . 2 . . . . 546 PRO HB3 . 16734 1 555 . 1 1 59 59 PRO HD2 H 1 3.916 0.001 . 2 . . . . 546 PRO HD2 . 16734 1 556 . 1 1 59 59 PRO HD3 H 1 3.828 0.001 . 2 . . . . 546 PRO HD3 . 16734 1 557 . 1 1 59 59 PRO HG2 H 1 2.400 0.001 . 2 . . . . 546 PRO HG2 . 16734 1 558 . 1 1 59 59 PRO HG3 H 1 2.288 0.001 . 2 . . . . 546 PRO HG3 . 16734 1 559 . 1 1 59 59 PRO C C 13 180.210 0.01 . 1 . . . . 546 PRO C . 16734 1 560 . 1 1 59 59 PRO CA C 13 62.480 0.01 . 1 . . . . 546 PRO CA . 16734 1 561 . 1 1 59 59 PRO CB C 13 32.680 0.01 . 1 . . . . 546 PRO CB . 16734 1 562 . 1 1 60 60 VAL H H 1 8.663 0.001 . 1 . . . . 547 VAL H . 16734 1 563 . 1 1 60 60 VAL HA H 1 4.056 0.001 . 1 . . . . 547 VAL HA . 16734 1 564 . 1 1 60 60 VAL HB H 1 1.945 0.001 . 1 . . . . 547 VAL HB . 16734 1 565 . 1 1 60 60 VAL HG11 H 1 0.767 0.001 . 1 . . . . 547 VAL QG1 . 16734 1 566 . 1 1 60 60 VAL HG12 H 1 0.767 0.001 . 1 . . . . 547 VAL QG1 . 16734 1 567 . 1 1 60 60 VAL HG13 H 1 0.767 0.001 . 1 . . . . 547 VAL QG1 . 16734 1 568 . 1 1 60 60 VAL HG21 H 1 0.571 0.001 . 1 . . . . 547 VAL QG2 . 16734 1 569 . 1 1 60 60 VAL HG22 H 1 0.571 0.001 . 1 . . . . 547 VAL QG2 . 16734 1 570 . 1 1 60 60 VAL HG23 H 1 0.571 0.001 . 1 . . . . 547 VAL QG2 . 16734 1 571 . 1 1 60 60 VAL C C 13 175.450 0.01 . 1 . . . . 547 VAL C . 16734 1 572 . 1 1 60 60 VAL CA C 13 64.350 0.01 . 1 . . . . 547 VAL CA . 16734 1 573 . 1 1 60 60 VAL CB C 13 31.400 0.01 . 1 . . . . 547 VAL CB . 16734 1 574 . 1 1 60 60 VAL N N 15 120.770 0.01 . 1 . . . . 547 VAL N . 16734 1 575 . 1 1 61 61 ASP H H 1 8.037 0.001 . 1 . . . . 548 ASP H . 16734 1 576 . 1 1 61 61 ASP HA H 1 4.756 0.001 . 1 . . . . 548 ASP HA . 16734 1 577 . 1 1 61 61 ASP HB2 H 1 2.780 0.001 . 2 . . . . 548 ASP HB2 . 16734 1 578 . 1 1 61 61 ASP HB3 H 1 2.606 0.001 . 2 . . . . 548 ASP HB3 . 16734 1 579 . 1 1 61 61 ASP C C 13 175.430 0.01 . 1 . . . . 548 ASP C . 16734 1 580 . 1 1 61 61 ASP CA C 13 53.180 0.01 . 1 . . . . 548 ASP CA . 16734 1 581 . 1 1 61 61 ASP CB C 13 39.950 0.01 . 1 . . . . 548 ASP CB . 16734 1 582 . 1 1 61 61 ASP N N 15 117.760 0.01 . 1 . . . . 548 ASP N . 16734 1 583 . 1 1 62 62 SER H H 1 7.648 0.001 . 1 . . . . 549 SER H . 16734 1 584 . 1 1 62 62 SER HA H 1 4.388 0.001 . 1 . . . . 549 SER HA . 16734 1 585 . 1 1 62 62 SER HB2 H 1 3.902 0.001 . 2 . . . . 549 SER HB2 . 16734 1 586 . 1 1 62 62 SER HB3 H 1 3.877 0.001 . 2 . . . . 549 SER HB3 . 16734 1 587 . 1 1 62 62 SER C C 13 172.030 0.01 . 1 . . . . 549 SER C . 16734 1 588 . 1 1 62 62 SER CA C 13 58.770 0.01 . 1 . . . . 549 SER CA . 16734 1 589 . 1 1 62 62 SER CB C 13 65.200 0.01 . 1 . . . . 549 SER CB . 16734 1 590 . 1 1 62 62 SER N N 15 115.170 0.01 . 1 . . . . 549 SER N . 16734 1 591 . 1 1 63 63 VAL H H 1 8.395 0.001 . 1 . . . . 550 VAL H . 16734 1 592 . 1 1 63 63 VAL HA H 1 3.957 0.001 . 1 . . . . 550 VAL HA . 16734 1 593 . 1 1 63 63 VAL HB H 1 1.826 0.001 . 1 . . . . 550 VAL HB . 16734 1 594 . 1 1 63 63 VAL HG11 H 1 0.871 0.001 . 1 . . . . 550 VAL QG1 . 16734 1 595 . 1 1 63 63 VAL HG12 H 1 0.871 0.001 . 1 . . . . 550 VAL QG1 . 16734 1 596 . 1 1 63 63 VAL HG13 H 1 0.871 0.001 . 1 . . . . 550 VAL QG1 . 16734 1 597 . 1 1 63 63 VAL HG21 H 1 0.652 0.001 . 1 . . . . 550 VAL QG2 . 16734 1 598 . 1 1 63 63 VAL HG22 H 1 0.652 0.001 . 1 . . . . 550 VAL QG2 . 16734 1 599 . 1 1 63 63 VAL HG23 H 1 0.652 0.001 . 1 . . . . 550 VAL QG2 . 16734 1 600 . 1 1 63 63 VAL C C 13 176.880 0.01 . 1 . . . . 550 VAL C . 16734 1 601 . 1 1 63 63 VAL CA C 13 62.600 0.01 . 1 . . . . 550 VAL CA . 16734 1 602 . 1 1 63 63 VAL CB C 13 31.960 0.01 . 1 . . . . 550 VAL CB . 16734 1 603 . 1 1 63 63 VAL N N 15 120.770 0.01 . 1 . . . . 550 VAL N . 16734 1 604 . 1 1 64 64 ILE H H 1 8.582 0.001 . 1 . . . . 551 ILE H . 16734 1 605 . 1 1 64 64 ILE HA H 1 4.181 0.001 . 1 . . . . 551 ILE HA . 16734 1 606 . 1 1 64 64 ILE HB H 1 2.030 0.001 . 1 . . . . 551 ILE HB . 16734 1 607 . 1 1 64 64 ILE HD11 H 1 0.129 0.001 . 1 . . . . 551 ILE QD1 . 16734 1 608 . 1 1 64 64 ILE HD12 H 1 0.129 0.001 . 1 . . . . 551 ILE QD1 . 16734 1 609 . 1 1 64 64 ILE HD13 H 1 0.129 0.001 . 1 . . . . 551 ILE QD1 . 16734 1 610 . 1 1 64 64 ILE HG12 H 1 1.165 0.001 . 2 . . . . 551 ILE HG12 . 16734 1 611 . 1 1 64 64 ILE HG13 H 1 1.093 0.001 . 2 . . . . 551 ILE HG13 . 16734 1 612 . 1 1 64 64 ILE HG21 H 1 0.682 0.001 . 1 . . . . 551 ILE QG2 . 16734 1 613 . 1 1 64 64 ILE HG22 H 1 0.682 0.001 . 1 . . . . 551 ILE QG2 . 16734 1 614 . 1 1 64 64 ILE HG23 H 1 0.682 0.001 . 1 . . . . 551 ILE QG2 . 16734 1 615 . 1 1 64 64 ILE C C 13 174.240 0.01 . 1 . . . . 551 ILE C . 16734 1 616 . 1 1 64 64 ILE CA C 13 59.990 0.01 . 1 . . . . 551 ILE CA . 16734 1 617 . 1 1 64 64 ILE CB C 13 38.670 0.01 . 1 . . . . 551 ILE CB . 16734 1 618 . 1 1 64 64 ILE N N 15 130.430 0.01 . 1 . . . . 551 ILE N . 16734 1 619 . 1 1 65 65 GLU H H 1 8.379 0.001 . 1 . . . . 552 GLU H . 16734 1 620 . 1 1 65 65 GLU HA H 1 4.722 0.001 . 1 . . . . 552 GLU HA . 16734 1 621 . 1 1 65 65 GLU HB2 H 1 1.774 0.001 . 2 . . . . 552 GLU HB2 . 16734 1 622 . 1 1 65 65 GLU HB3 H 1 1.592 0.001 . 2 . . . . 552 GLU HB3 . 16734 1 623 . 1 1 65 65 GLU HG2 H 1 2.335 0.001 . 2 . . . . 552 GLU HG2 . 16734 1 624 . 1 1 65 65 GLU HG3 H 1 2.008 0.001 . 2 . . . . 552 GLU HG3 . 16734 1 625 . 1 1 65 65 GLU C C 13 176.280 0.01 . 1 . . . . 552 GLU C . 16734 1 626 . 1 1 65 65 GLU CA C 13 54.850 0.01 . 1 . . . . 552 GLU CA . 16734 1 627 . 1 1 65 65 GLU CB C 13 32.200 0.01 . 1 . . . . 552 GLU CB . 16734 1 628 . 1 1 65 65 GLU N N 15 127.600 0.01 . 1 . . . . 552 GLU N . 16734 1 629 . 1 1 66 66 LEU H H 1 9.173 0.001 . 1 . . . . 553 LEU H . 16734 1 630 . 1 1 66 66 LEU HA H 1 4.312 0.001 . 1 . . . . 553 LEU HA . 16734 1 631 . 1 1 66 66 LEU HB2 H 1 1.870 0.001 . 2 . . . . 553 LEU HB2 . 16734 1 632 . 1 1 66 66 LEU HB3 H 1 1.755 0.001 . 2 . . . . 553 LEU HB3 . 16734 1 633 . 1 1 66 66 LEU HD11 H 1 0.883 0.001 . 1 . . . . 553 LEU QD1 . 16734 1 634 . 1 1 66 66 LEU HD12 H 1 0.883 0.001 . 1 . . . . 553 LEU QD1 . 16734 1 635 . 1 1 66 66 LEU HD13 H 1 0.883 0.001 . 1 . . . . 553 LEU QD1 . 16734 1 636 . 1 1 66 66 LEU HD21 H 1 0.667 0.001 . 1 . . . . 553 LEU QD2 . 16734 1 637 . 1 1 66 66 LEU HD22 H 1 0.667 0.001 . 1 . . . . 553 LEU QD2 . 16734 1 638 . 1 1 66 66 LEU HD23 H 1 0.667 0.001 . 1 . . . . 553 LEU QD2 . 16734 1 639 . 1 1 66 66 LEU HG H 1 1.228 0.001 . 1 . . . . 553 LEU HG . 16734 1 640 . 1 1 66 66 LEU C C 13 174.890 0.01 . 1 . . . . 553 LEU C . 16734 1 641 . 1 1 66 66 LEU CA C 13 55.540 0.01 . 1 . . . . 553 LEU CA . 16734 1 642 . 1 1 66 66 LEU CB C 13 42.190 0.01 . 1 . . . . 553 LEU CB . 16734 1 643 . 1 1 66 66 LEU N N 15 130.550 0.01 . 1 . . . . 553 LEU N . 16734 1 644 . 1 1 67 67 GLN H H 1 8.340 0.001 . 1 . . . . 554 GLN H . 16734 1 645 . 1 1 67 67 GLN HA H 1 4.847 0.001 . 1 . . . . 554 GLN HA . 16734 1 646 . 1 1 67 67 GLN HB2 H 1 1.596 0.001 . 2 . . . . 554 GLN HB2 . 16734 1 647 . 1 1 67 67 GLN HB3 H 1 1.191 0.001 . 2 . . . . 554 GLN HB3 . 16734 1 648 . 1 1 67 67 GLN HE21 H 1 7.095 0.001 . 2 . . . . 554 GLN HE21 . 16734 1 649 . 1 1 67 67 GLN HE22 H 1 7.025 0.001 . 2 . . . . 554 GLN HE22 . 16734 1 650 . 1 1 67 67 GLN HG2 H 1 1.937 0.001 . 2 . . . . 554 GLN HG2 . 16734 1 651 . 1 1 67 67 GLN HG3 H 1 1.898 0.001 . 2 . . . . 554 GLN HG3 . 16734 1 652 . 1 1 67 67 GLN C C 13 175.120 0.01 . 1 . . . . 554 GLN C . 16734 1 653 . 1 1 67 67 GLN CA C 13 54.600 0.01 . 1 . . . . 554 GLN CA . 16734 1 654 . 1 1 67 67 GLN CB C 13 27.810 0.01 . 1 . . . . 554 GLN CB . 16734 1 655 . 1 1 67 67 GLN N N 15 123.600 0.01 . 1 . . . . 554 GLN N . 16734 1 656 . 1 1 67 67 GLN NE2 N 15 112.400 0.01 . 1 . . . . 554 GLN NE2 . 16734 1 657 . 1 1 68 68 VAL H H 1 9.134 0.001 . 1 . . . . 555 VAL H . 16734 1 658 . 1 1 68 68 VAL HA H 1 4.319 0.001 . 1 . . . . 555 VAL HA . 16734 1 659 . 1 1 68 68 VAL HB H 1 1.848 0.001 . 1 . . . . 555 VAL HB . 16734 1 660 . 1 1 68 68 VAL HG11 H 1 0.727 0.001 . 1 . . . . 555 VAL QG1 . 16734 1 661 . 1 1 68 68 VAL HG12 H 1 0.727 0.001 . 1 . . . . 555 VAL QG1 . 16734 1 662 . 1 1 68 68 VAL HG13 H 1 0.727 0.001 . 1 . . . . 555 VAL QG1 . 16734 1 663 . 1 1 68 68 VAL HG21 H 1 0.630 0.001 . 1 . . . . 555 VAL QG2 . 16734 1 664 . 1 1 68 68 VAL HG22 H 1 0.630 0.001 . 1 . . . . 555 VAL QG2 . 16734 1 665 . 1 1 68 68 VAL HG23 H 1 0.630 0.001 . 1 . . . . 555 VAL QG2 . 16734 1 666 . 1 1 68 68 VAL C C 13 175.930 0.01 . 1 . . . . 555 VAL C . 16734 1 667 . 1 1 68 68 VAL CA C 13 61.830 0.01 . 1 . . . . 555 VAL CA . 16734 1 668 . 1 1 68 68 VAL CB C 13 34.120 0.01 . 1 . . . . 555 VAL CB . 16734 1 669 . 1 1 68 68 VAL N N 15 124.710 0.01 . 1 . . . . 555 VAL N . 16734 1 670 . 1 1 69 69 SER H H 1 9.173 0.001 . 1 . . . . 556 SER H . 16734 1 671 . 1 1 69 69 SER HA H 1 4.315 0.001 . 1 . . . . 556 SER HA . 16734 1 672 . 1 1 69 69 SER HB2 H 1 3.747 0.001 . 2 . . . . 556 SER HB2 . 16734 1 673 . 1 1 69 69 SER HB3 H 1 3.684 0.001 . 2 . . . . 556 SER HB3 . 16734 1 674 . 1 1 69 69 SER C C 13 178.570 0.01 . 1 . . . . 556 SER C . 16734 1 675 . 1 1 69 69 SER CA C 13 58.560 0.01 . 1 . . . . 556 SER CA . 16734 1 676 . 1 1 69 69 SER CB C 13 63.280 0.01 . 1 . . . . 556 SER CB . 16734 1 677 . 1 1 69 69 SER N N 15 120.950 0.01 . 1 . . . . 556 SER N . 16734 1 678 . 1 1 70 70 LYS H H 1 8.768 0.001 . 1 . . . . 557 LYS H . 16734 1 679 . 1 1 70 70 LYS HA H 1 4.284 0.001 . 1 . . . . 557 LYS HA . 16734 1 680 . 1 1 70 70 LYS HB2 H 1 2.003 0.001 . 2 . . . . 557 LYS HB2 . 16734 1 681 . 1 1 70 70 LYS HB3 H 1 1.931 0.001 . 2 . . . . 557 LYS HB3 . 16734 1 682 . 1 1 70 70 LYS HD2 H 1 1.680 0.001 . 2 . . . . 557 LYS HD2 . 16734 1 683 . 1 1 70 70 LYS HE2 H 1 2.980 0.001 . 2 . . . . 557 LYS HE2 . 16734 1 684 . 1 1 70 70 LYS HG2 H 1 1.550 0.001 . 2 . . . . 557 LYS HG2 . 16734 1 685 . 1 1 70 70 LYS HG3 H 1 1.429 0.001 . 2 . . . . 557 LYS HG3 . 16734 1 686 . 1 1 70 70 LYS C C 13 178.250 0.01 . 1 . . . . 557 LYS C . 16734 1 687 . 1 1 70 70 LYS CA C 13 58.110 0.01 . 1 . . . . 557 LYS CA . 16734 1 688 . 1 1 70 70 LYS CB C 13 34.760 0.01 . 1 . . . . 557 LYS CB . 16734 1 689 . 1 1 70 70 LYS N N 15 127.110 0.01 . 1 . . . . 557 LYS N . 16734 1 690 . 1 1 71 71 GLY H H 1 9.473 0.001 . 1 . . . . 558 GLY H . 16734 1 691 . 1 1 71 71 GLY HA2 H 1 4.356 0.001 . 2 . . . . 558 GLY HA2 . 16734 1 692 . 1 1 71 71 GLY HA3 H 1 3.674 0.001 . 2 . . . . 558 GLY HA3 . 16734 1 693 . 1 1 71 71 GLY C C 13 175.710 0.01 . 1 . . . . 558 GLY C . 16734 1 694 . 1 1 71 71 GLY CA C 13 47.300 0.01 . 1 . . . . 558 GLY CA . 16734 1 695 . 1 1 71 71 GLY N N 15 110.960 0.01 . 1 . . . . 558 GLY N . 16734 1 696 . 1 1 72 72 ASN H H 1 8.823 0.001 . 1 . . . . 559 ASN H . 16734 1 697 . 1 1 72 72 ASN HA H 1 4.797 0.001 . 1 . . . . 559 ASN HA . 16734 1 698 . 1 1 72 72 ASN HB2 H 1 3.163 0.001 . 2 . . . . 559 ASN HB2 . 16734 1 699 . 1 1 72 72 ASN HB3 H 1 2.435 0.001 . 2 . . . . 559 ASN HB3 . 16734 1 700 . 1 1 72 72 ASN HD21 H 1 7.764 0.001 . 2 . . . . 559 ASN HD21 . 16734 1 701 . 1 1 72 72 ASN HD22 H 1 7.508 0.001 . 2 . . . . 559 ASN HD22 . 16734 1 702 . 1 1 72 72 ASN C C 13 174.460 0.01 . 1 . . . . 559 ASN C . 16734 1 703 . 1 1 72 72 ASN CA C 13 53.420 0.01 . 1 . . . . 559 ASN CA . 16734 1 704 . 1 1 72 72 ASN CB C 13 38.830 0.01 . 1 . . . . 559 ASN CB . 16734 1 705 . 1 1 72 72 ASN N N 15 114.190 0.01 . 1 . . . . 559 ASN N . 16734 1 706 . 1 1 72 72 ASN ND2 N 15 114.000 0.01 . 1 . . . . 559 ASN ND2 . 16734 1 707 . 1 1 73 73 GLN H H 1 7.368 0.001 . 1 . . . . 560 GLN H . 16734 1 708 . 1 1 73 73 GLN HA H 1 5.308 0.001 . 1 . . . . 560 GLN HA . 16734 1 709 . 1 1 73 73 GLN HB2 H 1 2.019 0.001 . 2 . . . . 560 GLN HB2 . 16734 1 710 . 1 1 73 73 GLN HB3 H 1 1.886 0.001 . 2 . . . . 560 GLN HB3 . 16734 1 711 . 1 1 73 73 GLN HE21 H 1 7.266 0.001 . 2 . . . . 560 GLN HE21 . 16734 1 712 . 1 1 73 73 GLN HE22 H 1 6.332 0.001 . 2 . . . . 560 GLN HE22 . 16734 1 713 . 1 1 73 73 GLN HG2 H 1 2.600 0.001 . 2 . . . . 560 GLN HG2 . 16734 1 714 . 1 1 73 73 GLN HG3 H 1 2.430 0.001 . 2 . . . . 560 GLN HG3 . 16734 1 715 . 1 1 73 73 GLN C C 13 175.380 0.01 . 1 . . . . 560 GLN C . 16734 1 716 . 1 1 73 73 GLN CA C 13 54.200 0.01 . 1 . . . . 560 GLN CA . 16734 1 717 . 1 1 73 73 GLN CB C 13 31.480 0.01 . 1 . . . . 560 GLN CB . 16734 1 718 . 1 1 73 73 GLN N N 15 117.450 0.01 . 1 . . . . 560 GLN N . 16734 1 719 . 1 1 73 73 GLN NE2 N 15 109.760 0.01 . 1 . . . . 560 GLN NE2 . 16734 1 720 . 1 1 74 74 PHE H H 1 8.512 0.001 . 1 . . . . 561 PHE H . 16734 1 721 . 1 1 74 74 PHE HA H 1 5.111 0.001 . 1 . . . . 561 PHE HA . 16734 1 722 . 1 1 74 74 PHE HB2 H 1 3.243 0.001 . 2 . . . . 561 PHE HB2 . 16734 1 723 . 1 1 74 74 PHE HB3 H 1 2.995 0.001 . 2 . . . . 561 PHE HB3 . 16734 1 724 . 1 1 74 74 PHE HD1 H 1 6.999 0.001 . 3 . . . . 561 PHE QD . 16734 1 725 . 1 1 74 74 PHE HD2 H 1 6.999 0.001 . 3 . . . . 561 PHE QD . 16734 1 726 . 1 1 74 74 PHE HE1 H 1 7.197 0.001 . 3 . . . . 561 PHE QE . 16734 1 727 . 1 1 74 74 PHE HE2 H 1 7.197 0.001 . 3 . . . . 561 PHE QE . 16734 1 728 . 1 1 74 74 PHE HZ H 1 6.758 0.001 . 1 . . . . 561 PHE HZ . 16734 1 729 . 1 1 74 74 PHE C C 13 172.860 0.01 . 1 . . . . 561 PHE C . 16734 1 730 . 1 1 74 74 PHE CA C 13 54.810 0.01 . 1 . . . . 561 PHE CA . 16734 1 731 . 1 1 74 74 PHE CB C 13 42.430 0.01 . 1 . . . . 561 PHE CB . 16734 1 732 . 1 1 74 74 PHE N N 15 116.030 0.01 . 1 . . . . 561 PHE N . 16734 1 733 . 1 1 75 75 VAL H H 1 8.879 0.001 . 1 . . . . 562 VAL H . 16734 1 734 . 1 1 75 75 VAL HA H 1 3.719 0.001 . 1 . . . . 562 VAL HA . 16734 1 735 . 1 1 75 75 VAL HB H 1 1.926 0.001 . 1 . . . . 562 VAL HB . 16734 1 736 . 1 1 75 75 VAL HG11 H 1 0.871 0.001 . 1 . . . . 562 VAL QG1 . 16734 1 737 . 1 1 75 75 VAL HG12 H 1 0.871 0.001 . 1 . . . . 562 VAL QG1 . 16734 1 738 . 1 1 75 75 VAL HG13 H 1 0.871 0.001 . 1 . . . . 562 VAL QG1 . 16734 1 739 . 1 1 75 75 VAL HG21 H 1 0.682 0.001 . 1 . . . . 562 VAL QG2 . 16734 1 740 . 1 1 75 75 VAL HG22 H 1 0.682 0.001 . 1 . . . . 562 VAL QG2 . 16734 1 741 . 1 1 75 75 VAL HG23 H 1 0.682 0.001 . 1 . . . . 562 VAL QG2 . 16734 1 742 . 1 1 75 75 VAL C C 13 176.020 0.01 . 1 . . . . 562 VAL C . 16734 1 743 . 1 1 75 75 VAL CA C 13 62.880 0.01 . 1 . . . . 562 VAL CA . 16734 1 744 . 1 1 75 75 VAL CB C 13 31.480 0.01 . 1 . . . . 562 VAL CB . 16734 1 745 . 1 1 75 75 VAL N N 15 121.190 0.01 . 1 . . . . 562 VAL N . 16734 1 746 . 1 1 76 76 MET H H 1 8.784 0.001 . 1 . . . . 563 MET H . 16734 1 747 . 1 1 76 76 MET HA H 1 4.423 0.001 . 1 . . . . 563 MET HA . 16734 1 748 . 1 1 76 76 MET HB2 H 1 1.759 0.001 . 2 . . . . 563 MET HB2 . 16734 1 749 . 1 1 76 76 MET HB3 H 1 1.713 0.001 . 2 . . . . 563 MET HB3 . 16734 1 750 . 1 1 76 76 MET HE1 H 1 2.192 0.001 . 1 . . . . 563 MET QE . 16734 1 751 . 1 1 76 76 MET HE2 H 1 2.192 0.001 . 1 . . . . 563 MET QE . 16734 1 752 . 1 1 76 76 MET HE3 H 1 2.192 0.001 . 1 . . . . 563 MET QE . 16734 1 753 . 1 1 76 76 MET HG2 H 1 2.572 0.001 . 2 . . . . 563 MET HG2 . 16734 1 754 . 1 1 76 76 MET HG3 H 1 2.505 0.001 . 2 . . . . 563 MET HG3 . 16734 1 755 . 1 1 76 76 MET CA C 13 53.540 0.01 . 1 . . . . 563 MET CA . 16734 1 756 . 1 1 76 76 MET CB C 13 32.190 0.01 . 1 . . . . 563 MET CB . 16734 1 757 . 1 1 76 76 MET N N 15 130.120 0.01 . 1 . . . . 563 MET N . 16734 1 758 . 1 1 77 77 PRO HA H 1 4.740 0.001 . 1 . . . . 564 PRO HA . 16734 1 759 . 1 1 77 77 PRO HB2 H 1 2.217 0.001 . 2 . . . . 564 PRO HB2 . 16734 1 760 . 1 1 77 77 PRO HB3 H 1 1.691 0.001 . 2 . . . . 564 PRO HB3 . 16734 1 761 . 1 1 77 77 PRO HD2 H 1 3.465 0.001 . 2 . . . . 564 PRO HD2 . 16734 1 762 . 1 1 77 77 PRO HD3 H 1 3.249 0.001 . 2 . . . . 564 PRO HD3 . 16734 1 763 . 1 1 77 77 PRO HG2 H 1 1.891 0.001 . 2 . . . . 564 PRO HG2 . 16734 1 764 . 1 1 77 77 PRO HG3 H 1 1.891 0.001 . 2 . . . . 564 PRO HG3 . 16734 1 765 . 1 1 77 77 PRO CA C 13 62.150 0.01 . 1 . . . . 564 PRO CA . 16734 1 766 . 1 1 77 77 PRO CB C 13 32.440 0.01 . 1 . . . . 564 PRO CB . 16734 1 767 . 1 1 78 78 ASP H H 1 8.753 0.001 . 1 . . . . 565 ASP H . 16734 1 768 . 1 1 78 78 ASP HA H 1 4.525 0.001 . 1 . . . . 565 ASP HA . 16734 1 769 . 1 1 78 78 ASP HB2 H 1 2.916 0.001 . 2 . . . . 565 ASP HB2 . 16734 1 770 . 1 1 78 78 ASP HB3 H 1 2.349 0.001 . 2 . . . . 565 ASP HB3 . 16734 1 771 . 1 1 78 78 ASP C C 13 176.640 0.01 . 1 . . . . 565 ASP C . 16734 1 772 . 1 1 78 78 ASP CA C 13 54.160 0.01 . 1 . . . . 565 ASP CA . 16734 1 773 . 1 1 78 78 ASP CB C 13 40.110 0.01 . 1 . . . . 565 ASP CB . 16734 1 774 . 1 1 78 78 ASP N N 15 117.820 0.01 . 1 . . . . 565 ASP N . 16734 1 775 . 1 1 79 79 LEU H H 1 9.438 0.001 . 1 . . . . 566 LEU H . 16734 1 776 . 1 1 79 79 LEU HA H 1 4.516 0.001 . 1 . . . . 566 LEU HA . 16734 1 777 . 1 1 79 79 LEU HB2 H 1 1.631 0.001 . 2 . . . . 566 LEU HB2 . 16734 1 778 . 1 1 79 79 LEU HB3 H 1 1.457 0.001 . 2 . . . . 566 LEU HB3 . 16734 1 779 . 1 1 79 79 LEU HD11 H 1 0.769 0.001 . 1 . . . . 566 LEU QD1 . 16734 1 780 . 1 1 79 79 LEU HD12 H 1 0.769 0.001 . 1 . . . . 566 LEU QD1 . 16734 1 781 . 1 1 79 79 LEU HD13 H 1 0.769 0.001 . 1 . . . . 566 LEU QD1 . 16734 1 782 . 1 1 79 79 LEU HD21 H 1 0.530 0.001 . 1 . . . . 566 LEU QD2 . 16734 1 783 . 1 1 79 79 LEU HD22 H 1 0.530 0.001 . 1 . . . . 566 LEU QD2 . 16734 1 784 . 1 1 79 79 LEU HD23 H 1 0.530 0.001 . 1 . . . . 566 LEU QD2 . 16734 1 785 . 1 1 79 79 LEU HG H 1 1.413 0.001 . 1 . . . . 566 LEU HG . 16734 1 786 . 1 1 79 79 LEU C C 13 175.970 0.01 . 1 . . . . 566 LEU C . 16734 1 787 . 1 1 79 79 LEU CA C 13 53.830 0.01 . 1 . . . . 566 LEU CA . 16734 1 788 . 1 1 79 79 LEU CB C 13 42.670 0.01 . 1 . . . . 566 LEU CB . 16734 1 789 . 1 1 79 79 LEU N N 15 128.150 0.01 . 1 . . . . 566 LEU N . 16734 1 790 . 1 1 80 80 SER H H 1 8.130 0.001 . 1 . . . . 567 SER H . 16734 1 791 . 1 1 80 80 SER HA H 1 3.591 0.001 . 1 . . . . 567 SER HA . 16734 1 792 . 1 1 80 80 SER HB2 H 1 3.819 0.001 . 2 . . . . 567 SER HB2 . 16734 1 793 . 1 1 80 80 SER HB3 H 1 3.749 0.001 . 2 . . . . 567 SER HB3 . 16734 1 794 . 1 1 80 80 SER C C 13 176.280 0.01 . 1 . . . . 567 SER C . 16734 1 795 . 1 1 80 80 SER CA C 13 60.850 0.01 . 1 . . . . 567 SER CA . 16734 1 796 . 1 1 80 80 SER CB C 13 63.040 0.01 . 1 . . . . 567 SER CB . 16734 1 797 . 1 1 80 80 SER N N 15 114.860 0.01 . 1 . . . . 567 SER N . 16734 1 798 . 1 1 81 81 GLY H H 1 9.181 0.001 . 1 . . . . 568 GLY H . 16734 1 799 . 1 1 81 81 GLY HA2 H 1 4.215 0.001 . 2 . . . . 568 GLY HA2 . 16734 1 800 . 1 1 81 81 GLY HA3 H 1 3.605 0.001 . 2 . . . . 568 GLY HA3 . 16734 1 801 . 1 1 81 81 GLY C C 13 173.740 0.01 . 1 . . . . 568 GLY C . 16734 1 802 . 1 1 81 81 GLY CA C 13 45.830 0.01 . 1 . . . . 568 GLY CA . 16734 1 803 . 1 1 81 81 GLY N N 15 112.030 0.01 . 1 . . . . 568 GLY N . 16734 1 804 . 1 1 82 82 MET H H 1 7.928 0.001 . 1 . . . . 569 MET H . 16734 1 805 . 1 1 82 82 MET HA H 1 4.484 0.001 . 1 . . . . 569 MET HA . 16734 1 806 . 1 1 82 82 MET HB2 H 1 2.239 0.001 . 2 . . . . 569 MET HB2 . 16734 1 807 . 1 1 82 82 MET HB3 H 1 2.052 0.001 . 2 . . . . 569 MET HB3 . 16734 1 808 . 1 1 82 82 MET HE1 H 1 2.264 0.001 . 1 . . . . 569 MET QE . 16734 1 809 . 1 1 82 82 MET HE2 H 1 2.264 0.001 . 1 . . . . 569 MET QE . 16734 1 810 . 1 1 82 82 MET HE3 H 1 2.264 0.001 . 1 . . . . 569 MET QE . 16734 1 811 . 1 1 82 82 MET HG2 H 1 2.448 0.001 . 2 . . . . 569 MET HG2 . 16734 1 812 . 1 1 82 82 MET HG3 H 1 2.414 0.001 . 2 . . . . 569 MET HG3 . 16734 1 813 . 1 1 82 82 MET C C 13 177.280 0.01 . 1 . . . . 569 MET C . 16734 1 814 . 1 1 82 82 MET CA C 13 56.600 0.01 . 1 . . . . 569 MET CA . 16734 1 815 . 1 1 82 82 MET CB C 13 34.920 0.01 . 1 . . . . 569 MET CB . 16734 1 816 . 1 1 82 82 MET N N 15 118.430 0.01 . 1 . . . . 569 MET N . 16734 1 817 . 1 1 83 83 PHE H H 1 9.228 0.001 . 1 . . . . 570 PHE H . 16734 1 818 . 1 1 83 83 PHE HA H 1 5.402 0.001 . 1 . . . . 570 PHE HA . 16734 1 819 . 1 1 83 83 PHE HB2 H 1 3.662 0.001 . 2 . . . . 570 PHE HB2 . 16734 1 820 . 1 1 83 83 PHE HB3 H 1 2.958 0.001 . 2 . . . . 570 PHE HB3 . 16734 1 821 . 1 1 83 83 PHE HD1 H 1 7.453 0.001 . 3 . . . . 570 PHE QD . 16734 1 822 . 1 1 83 83 PHE HD2 H 1 7.453 0.001 . 3 . . . . 570 PHE QD . 16734 1 823 . 1 1 83 83 PHE HE1 H 1 7.371 0.001 . 3 . . . . 570 PHE QE . 16734 1 824 . 1 1 83 83 PHE HE2 H 1 7.371 0.001 . 3 . . . . 570 PHE QE . 16734 1 825 . 1 1 83 83 PHE C C 13 179.280 0.01 . 1 . . . . 570 PHE C . 16734 1 826 . 1 1 83 83 PHE CA C 13 57.010 0.01 . 1 . . . . 570 PHE CA . 16734 1 827 . 1 1 83 83 PHE CB C 13 40.670 0.01 . 1 . . . . 570 PHE CB . 16734 1 828 . 1 1 83 83 PHE N N 15 118.920 0.01 . 1 . . . . 570 PHE N . 16734 1 829 . 1 1 84 84 TRP H H 1 10.481 0.001 . 1 . . . . 571 TRP H . 16734 1 830 . 1 1 84 84 TRP HA H 1 5.068 0.001 . 1 . . . . 571 TRP HA . 16734 1 831 . 1 1 84 84 TRP HB2 H 1 3.598 0.001 . 2 . . . . 571 TRP HB2 . 16734 1 832 . 1 1 84 84 TRP HB3 H 1 3.225 0.001 . 2 . . . . 571 TRP HB3 . 16734 1 833 . 1 1 84 84 TRP HD1 H 1 7.217 0.001 . 1 . . . . 571 TRP HD1 . 16734 1 834 . 1 1 84 84 TRP HE1 H 1 10.280 0.001 . 1 . . . . 571 TRP HE1 . 16734 1 835 . 1 1 84 84 TRP HE3 H 1 7.446 0.001 . 1 . . . . 571 TRP HE3 . 16734 1 836 . 1 1 84 84 TRP HH2 H 1 7.296 0.001 . 1 . . . . 571 TRP HH2 . 16734 1 837 . 1 1 84 84 TRP HZ2 H 1 7.701 0.001 . 1 . . . . 571 TRP HZ2 . 16734 1 838 . 1 1 84 84 TRP HZ3 H 1 6.669 0.001 . 1 . . . . 571 TRP HZ3 . 16734 1 839 . 1 1 84 84 TRP C C 13 177.310 0.01 . 1 . . . . 571 TRP C . 16734 1 840 . 1 1 84 84 TRP CA C 13 60.030 0.01 . 1 . . . . 571 TRP CA . 16734 1 841 . 1 1 84 84 TRP CB C 13 30.600 0.01 . 1 . . . . 571 TRP CB . 16734 1 842 . 1 1 84 84 TRP N N 15 127.170 0.01 . 1 . . . . 571 TRP N . 16734 1 843 . 1 1 84 84 TRP NE1 N 15 130.220 0.01 . 1 . . . . 571 TRP NE1 . 16734 1 844 . 1 1 85 85 VAL H H 1 8.379 0.001 . 1 . . . . 572 VAL H . 16734 1 845 . 1 1 85 85 VAL HA H 1 3.873 0.001 . 1 . . . . 572 VAL HA . 16734 1 846 . 1 1 85 85 VAL HB H 1 2.094 0.001 . 1 . . . . 572 VAL HB . 16734 1 847 . 1 1 85 85 VAL HG11 H 1 0.976 0.001 . 1 . . . . 572 VAL QG1 . 16734 1 848 . 1 1 85 85 VAL HG12 H 1 0.976 0.001 . 1 . . . . 572 VAL QG1 . 16734 1 849 . 1 1 85 85 VAL HG13 H 1 0.976 0.001 . 1 . . . . 572 VAL QG1 . 16734 1 850 . 1 1 85 85 VAL HG21 H 1 0.930 0.001 . 1 . . . . 572 VAL QG2 . 16734 1 851 . 1 1 85 85 VAL HG22 H 1 0.930 0.001 . 1 . . . . 572 VAL QG2 . 16734 1 852 . 1 1 85 85 VAL HG23 H 1 0.930 0.001 . 1 . . . . 572 VAL QG2 . 16734 1 853 . 1 1 85 85 VAL C C 13 175.300 0.01 . 1 . . . . 572 VAL C . 16734 1 854 . 1 1 85 85 VAL CA C 13 64.230 0.01 . 1 . . . . 572 VAL CA . 16734 1 855 . 1 1 85 85 VAL CB C 13 31.640 0.01 . 1 . . . . 572 VAL CB . 16734 1 856 . 1 1 85 85 VAL N N 15 112.590 0.01 . 1 . . . . 572 VAL N . 16734 1 857 . 1 1 86 86 ASP H H 1 7.045 0.001 . 1 . . . . 573 ASP H . 16734 1 858 . 1 1 86 86 ASP HA H 1 4.881 0.001 . 1 . . . . 573 ASP HA . 16734 1 859 . 1 1 86 86 ASP HB2 H 1 2.821 0.001 . 2 . . . . 573 ASP HB2 . 16734 1 860 . 1 1 86 86 ASP HB3 H 1 2.768 0.001 . 2 . . . . 573 ASP HB3 . 16734 1 861 . 1 1 86 86 ASP C C 13 177.430 0.01 . 1 . . . . 573 ASP C . 16734 1 862 . 1 1 86 86 ASP CA C 13 55.300 0.01 . 1 . . . . 573 ASP CA . 16734 1 863 . 1 1 86 86 ASP CB C 13 43.230 0.01 . 1 . . . . 573 ASP CB . 16734 1 864 . 1 1 86 86 ASP N N 15 116.880 0.01 . 1 . . . . 573 ASP N . 16734 1 865 . 1 1 87 87 ALA H H 1 8.795 0.001 . 1 . . . . 574 ALA H . 16734 1 866 . 1 1 87 87 ALA HA H 1 4.009 0.001 . 1 . . . . 574 ALA HA . 16734 1 867 . 1 1 87 87 ALA HB1 H 1 1.589 0.001 . 1 . . . . 574 ALA QB . 16734 1 868 . 1 1 87 87 ALA HB2 H 1 1.589 0.001 . 1 . . . . 574 ALA QB . 16734 1 869 . 1 1 87 87 ALA HB3 H 1 1.589 0.001 . 1 . . . . 574 ALA QB . 16734 1 870 . 1 1 87 87 ALA C C 13 177.680 0.01 . 1 . . . . 574 ALA C . 16734 1 871 . 1 1 87 87 ALA CA C 13 54.730 0.01 . 1 . . . . 574 ALA CA . 16734 1 872 . 1 1 87 87 ALA CB C 13 19.740 0.01 . 1 . . . . 574 ALA CB . 16734 1 873 . 1 1 87 87 ALA N N 15 124.480 0.01 . 1 . . . . 574 ALA N . 16734 1 874 . 1 1 88 88 GLU H H 1 7.951 0.001 . 1 . . . . 575 GLU H . 16734 1 875 . 1 1 88 88 GLU HA H 1 3.362 0.001 . 1 . . . . 575 GLU HA . 16734 1 876 . 1 1 88 88 GLU HB2 H 1 1.469 0.001 . 2 . . . . 575 GLU HB2 . 16734 1 877 . 1 1 88 88 GLU HB3 H 1 -0.350 0.001 . 2 . . . . 575 GLU HB3 . 16734 1 878 . 1 1 88 88 GLU HG2 H 1 2.203 0.001 . 2 . . . . 575 GLU HG2 . 16734 1 879 . 1 1 88 88 GLU HG3 H 1 2.167 0.001 . 2 . . . . 575 GLU HG3 . 16734 1 880 . 1 1 88 88 GLU CA C 13 62.270 0.01 . 1 . . . . 575 GLU CA . 16734 1 881 . 1 1 88 88 GLU CB C 13 25.300 0.01 . 1 . . . . 575 GLU CB . 16734 1 882 . 1 1 88 88 GLU N N 15 117.390 0.01 . 1 . . . . 575 GLU N . 16734 1 883 . 1 1 89 89 PRO HA H 1 4.199 0.001 . 1 . . . . 576 PRO HA . 16734 1 884 . 1 1 89 89 PRO HB2 H 1 2.171 0.001 . 2 . . . . 576 PRO HB2 . 16734 1 885 . 1 1 89 89 PRO HB3 H 1 1.595 0.001 . 2 . . . . 576 PRO HB3 . 16734 1 886 . 1 1 89 89 PRO HD2 H 1 3.880 0.001 . 2 . . . . 576 PRO HD2 . 16734 1 887 . 1 1 89 89 PRO HD3 H 1 3.880 0.001 . 2 . . . . 576 PRO HD3 . 16734 1 888 . 1 1 89 89 PRO HG2 H 1 1.855 0.001 . 2 . . . . 576 PRO HG2 . 16734 1 889 . 1 1 89 89 PRO HG3 H 1 1.855 0.001 . 2 . . . . 576 PRO HG3 . 16734 1 890 . 1 1 89 89 PRO C C 13 179.770 0.01 . 1 . . . . 576 PRO C . 16734 1 891 . 1 1 89 89 PRO CA C 13 65.990 0.01 . 1 . . . . 576 PRO CA . 16734 1 892 . 1 1 89 89 PRO CB C 13 30.360 0.01 . 1 . . . . 576 PRO CB . 16734 1 893 . 1 1 90 90 ARG H H 1 6.706 0.001 . 1 . . . . 577 ARG H . 16734 1 894 . 1 1 90 90 ARG HA H 1 4.036 0.001 . 1 . . . . 577 ARG HA . 16734 1 895 . 1 1 90 90 ARG HB2 H 1 2.021 0.001 . 2 . . . . 577 ARG HB2 . 16734 1 896 . 1 1 90 90 ARG HB3 H 1 1.905 0.001 . 2 . . . . 577 ARG HB3 . 16734 1 897 . 1 1 90 90 ARG HD2 H 1 3.125 0.001 . 2 . . . . 577 ARG HD2 . 16734 1 898 . 1 1 90 90 ARG HD3 H 1 2.970 0.001 . 2 . . . . 577 ARG HD3 . 16734 1 899 . 1 1 90 90 ARG HE H 1 7.467 0.001 . 1 . . . . 577 ARG HE . 16734 1 900 . 1 1 90 90 ARG HG2 H 1 1.720 0.001 . 2 . . . . 577 ARG HG2 . 16734 1 901 . 1 1 90 90 ARG HG3 H 1 1.481 0.001 . 2 . . . . 577 ARG HG3 . 16734 1 902 . 1 1 90 90 ARG C C 13 178.730 0.01 . 1 . . . . 577 ARG C . 16734 1 903 . 1 1 90 90 ARG CA C 13 59.010 0.01 . 1 . . . . 577 ARG CA . 16734 1 904 . 1 1 90 90 ARG CB C 13 29.810 0.01 . 1 . . . . 577 ARG CB . 16734 1 905 . 1 1 90 90 ARG N N 15 117.880 0.01 . 1 . . . . 577 ARG N . 16734 1 906 . 1 1 90 90 ARG NE N 15 84.000 0.01 . 1 . . . . 577 ARG NE . 16734 1 907 . 1 1 91 91 LEU H H 1 7.757 0.001 . 1 . . . . 578 LEU H . 16734 1 908 . 1 1 91 91 LEU HA H 1 3.811 0.001 . 1 . . . . 578 LEU HA . 16734 1 909 . 1 1 91 91 LEU HB2 H 1 2.176 0.001 . 2 . . . . 578 LEU HB2 . 16734 1 910 . 1 1 91 91 LEU HB3 H 1 1.591 0.001 . 2 . . . . 578 LEU HB3 . 16734 1 911 . 1 1 91 91 LEU HD11 H 1 0.564 0.001 . 1 . . . . 578 LEU QD1 . 16734 1 912 . 1 1 91 91 LEU HD12 H 1 0.564 0.001 . 1 . . . . 578 LEU QD1 . 16734 1 913 . 1 1 91 91 LEU HD13 H 1 0.564 0.001 . 1 . . . . 578 LEU QD1 . 16734 1 914 . 1 1 91 91 LEU HD21 H 1 0.375 0.001 . 1 . . . . 578 LEU QD2 . 16734 1 915 . 1 1 91 91 LEU HD22 H 1 0.375 0.001 . 1 . . . . 578 LEU QD2 . 16734 1 916 . 1 1 91 91 LEU HD23 H 1 0.375 0.001 . 1 . . . . 578 LEU QD2 . 16734 1 917 . 1 1 91 91 LEU HG H 1 1.234 0.001 . 1 . . . . 578 LEU HG . 16734 1 918 . 1 1 91 91 LEU C C 13 180.080 0.01 . 1 . . . . 578 LEU C . 16734 1 919 . 1 1 91 91 LEU CA C 13 57.660 0.01 . 1 . . . . 578 LEU CA . 16734 1 920 . 1 1 91 91 LEU CB C 13 48.980 0.01 . 1 . . . . 578 LEU CB . 16734 1 921 . 1 1 91 91 LEU N N 15 118.430 0.01 . 1 . . . . 578 LEU N . 16734 1 922 . 1 1 92 92 ARG H H 1 9.056 0.001 . 1 . . . . 579 ARG H . 16734 1 923 . 1 1 92 92 ARG HA H 1 4.379 0.001 . 1 . . . . 579 ARG HA . 16734 1 924 . 1 1 92 92 ARG HB2 H 1 2.197 0.001 . 2 . . . . 579 ARG HB2 . 16734 1 925 . 1 1 92 92 ARG HB3 H 1 2.168 0.001 . 2 . . . . 579 ARG HB3 . 16734 1 926 . 1 1 92 92 ARG HD2 H 1 3.377 0.001 . 2 . . . . 579 ARG HD2 . 16734 1 927 . 1 1 92 92 ARG HD3 H 1 3.085 0.001 . 2 . . . . 579 ARG HD3 . 16734 1 928 . 1 1 92 92 ARG HE H 1 7.441 0.001 . 1 . . . . 579 ARG HE . 16734 1 929 . 1 1 92 92 ARG HG2 H 1 2.001 0.001 . 2 . . . . 579 ARG HG2 . 16734 1 930 . 1 1 92 92 ARG HG3 H 1 1.936 0.001 . 2 . . . . 579 ARG HG3 . 16734 1 931 . 1 1 92 92 ARG C C 13 181.100 0.01 . 1 . . . . 579 ARG C . 16734 1 932 . 1 1 92 92 ARG CA C 13 58.600 0.01 . 1 . . . . 579 ARG CA . 16734 1 933 . 1 1 92 92 ARG CB C 13 28.530 0.01 . 1 . . . . 579 ARG CB . 16734 1 934 . 1 1 92 92 ARG N N 15 118.370 0.01 . 1 . . . . 579 ARG N . 16734 1 935 . 1 1 92 92 ARG NE N 15 85.120 0.01 . 1 . . . . 579 ARG NE . 16734 1 936 . 1 1 93 93 ALA H H 1 8.115 0.001 . 1 . . . . 580 ALA H . 16734 1 937 . 1 1 93 93 ALA HA H 1 4.196 0.001 . 1 . . . . 580 ALA HA . 16734 1 938 . 1 1 93 93 ALA HB1 H 1 1.484 0.001 . 1 . . . . 580 ALA QB . 16734 1 939 . 1 1 93 93 ALA HB2 H 1 1.484 0.001 . 1 . . . . 580 ALA QB . 16734 1 940 . 1 1 93 93 ALA HB3 H 1 1.484 0.001 . 1 . . . . 580 ALA QB . 16734 1 941 . 1 1 93 93 ALA C C 13 179.130 0.01 . 1 . . . . 580 ALA C . 16734 1 942 . 1 1 93 93 ALA CA C 13 54.690 0.01 . 1 . . . . 580 ALA CA . 16734 1 943 . 1 1 93 93 ALA CB C 13 18.220 0.01 . 1 . . . . 580 ALA CB . 16734 1 944 . 1 1 93 93 ALA N N 15 122.190 0.01 . 1 . . . . 580 ALA N . 16734 1 945 . 1 1 94 94 LEU H H 1 7.021 0.001 . 1 . . . . 581 LEU H . 16734 1 946 . 1 1 94 94 LEU HA H 1 4.227 0.001 . 1 . . . . 581 LEU HA . 16734 1 947 . 1 1 94 94 LEU HB2 H 1 1.823 0.001 . 2 . . . . 581 LEU HB2 . 16734 1 948 . 1 1 94 94 LEU HB3 H 1 1.498 0.001 . 2 . . . . 581 LEU HB3 . 16734 1 949 . 1 1 94 94 LEU HD11 H 1 0.949 0.001 . 1 . . . . 581 LEU QD1 . 16734 1 950 . 1 1 94 94 LEU HD12 H 1 0.949 0.001 . 1 . . . . 581 LEU QD1 . 16734 1 951 . 1 1 94 94 LEU HD13 H 1 0.949 0.001 . 1 . . . . 581 LEU QD1 . 16734 1 952 . 1 1 94 94 LEU HD21 H 1 0.928 0.001 . 1 . . . . 581 LEU QD2 . 16734 1 953 . 1 1 94 94 LEU HD22 H 1 0.928 0.001 . 1 . . . . 581 LEU QD2 . 16734 1 954 . 1 1 94 94 LEU HD23 H 1 0.928 0.001 . 1 . . . . 581 LEU QD2 . 16734 1 955 . 1 1 94 94 LEU HG H 1 1.470 0.001 . 1 . . . . 581 LEU HG . 16734 1 956 . 1 1 94 94 LEU C C 13 176.380 0.01 . 1 . . . . 581 LEU C . 16734 1 957 . 1 1 94 94 LEU CA C 13 55.090 0.01 . 1 . . . . 581 LEU CA . 16734 1 958 . 1 1 94 94 LEU CB C 13 42.030 0.01 . 1 . . . . 581 LEU CB . 16734 1 959 . 1 1 94 94 LEU N N 15 117.130 0.01 . 1 . . . . 581 LEU N . 16734 1 960 . 1 1 95 95 GLY H H 1 7.663 0.001 . 1 . . . . 582 GLY H . 16734 1 961 . 1 1 95 95 GLY HA2 H 1 4.320 0.001 . 2 . . . . 582 GLY HA2 . 16734 1 962 . 1 1 95 95 GLY HA3 H 1 3.605 0.001 . 2 . . . . 582 GLY HA3 . 16734 1 963 . 1 1 95 95 GLY C C 13 173.910 0.01 . 1 . . . . 582 GLY C . 16734 1 964 . 1 1 95 95 GLY CA C 13 44.160 0.01 . 1 . . . . 582 GLY CA . 16734 1 965 . 1 1 95 95 GLY N N 15 104.280 0.01 . 1 . . . . 582 GLY N . 16734 1 966 . 1 1 96 96 TRP H H 1 7.220 0.001 . 1 . . . . 583 TRP H . 16734 1 967 . 1 1 96 96 TRP HA H 1 5.130 0.001 . 1 . . . . 583 TRP HA . 16734 1 968 . 1 1 96 96 TRP HB2 H 1 2.775 0.001 . 2 . . . . 583 TRP HB2 . 16734 1 969 . 1 1 96 96 TRP HB3 H 1 2.470 0.001 . 2 . . . . 583 TRP HB3 . 16734 1 970 . 1 1 96 96 TRP HD1 H 1 7.873 0.001 . 1 . . . . 583 TRP HD1 . 16734 1 971 . 1 1 96 96 TRP HE1 H 1 11.300 0.001 . 1 . . . . 583 TRP HE1 . 16734 1 972 . 1 1 96 96 TRP HH2 H 1 7.180 0.001 . 1 . . . . 583 TRP HH2 . 16734 1 973 . 1 1 96 96 TRP HZ2 H 1 7.423 0.001 . 1 . . . . 583 TRP HZ2 . 16734 1 974 . 1 1 96 96 TRP HZ3 H 1 7.067 0.001 . 1 . . . . 583 TRP HZ3 . 16734 1 975 . 1 1 96 96 TRP C C 13 178.350 0.01 . 1 . . . . 583 TRP C . 16734 1 976 . 1 1 96 96 TRP CA C 13 57.830 0.01 . 1 . . . . 583 TRP CA . 16734 1 977 . 1 1 96 96 TRP CB C 13 29.570 0.01 . 1 . . . . 583 TRP CB . 16734 1 978 . 1 1 96 96 TRP N N 15 118.990 0.01 . 1 . . . . 583 TRP N . 16734 1 979 . 1 1 96 96 TRP NE1 N 15 132.580 0.01 . 1 . . . . 583 TRP NE1 . 16734 1 980 . 1 1 97 97 THR H H 1 9.375 0.001 . 1 . . . . 584 THR H . 16734 1 981 . 1 1 97 97 THR HA H 1 4.240 0.001 . 1 . . . . 584 THR HA . 16734 1 982 . 1 1 97 97 THR HB H 1 4.384 0.001 . 1 . . . . 584 THR HB . 16734 1 983 . 1 1 97 97 THR HG21 H 1 1.055 0.001 . 1 . . . . 584 THR QG2 . 16734 1 984 . 1 1 97 97 THR HG22 H 1 1.055 0.001 . 1 . . . . 584 THR QG2 . 16734 1 985 . 1 1 97 97 THR HG23 H 1 1.055 0.001 . 1 . . . . 584 THR QG2 . 16734 1 986 . 1 1 97 97 THR CA C 13 61.050 0.01 . 1 . . . . 584 THR CA . 16734 1 987 . 1 1 97 97 THR N N 15 122.490 0.01 . 1 . . . . 584 THR N . 16734 1 988 . 1 1 98 98 GLY H H 1 5.355 0.001 . 1 . . . . 585 GLY H . 16734 1 989 . 1 1 98 98 GLY HA2 H 1 3.912 0.001 . 2 . . . . 585 GLY HA2 . 16734 1 990 . 1 1 98 98 GLY HA3 H 1 3.599 0.001 . 2 . . . . 585 GLY HA3 . 16734 1 991 . 1 1 98 98 GLY C C 13 171.060 0.01 . 1 . . . . 585 GLY C . 16734 1 992 . 1 1 98 98 GLY CA C 13 44.610 0.01 . 1 . . . . 585 GLY CA . 16734 1 993 . 1 1 98 98 GLY N N 15 107.280 0.01 . 1 . . . . 585 GLY N . 16734 1 994 . 1 1 99 99 MET H H 1 7.554 0.001 . 1 . . . . 586 MET H . 16734 1 995 . 1 1 99 99 MET HA H 1 4.655 0.001 . 1 . . . . 586 MET HA . 16734 1 996 . 1 1 99 99 MET HB2 H 1 1.952 0.001 . 2 . . . . 586 MET HB2 . 16734 1 997 . 1 1 99 99 MET HB3 H 1 1.902 0.001 . 2 . . . . 586 MET HB3 . 16734 1 998 . 1 1 99 99 MET HE1 H 1 2.256 0.001 . 1 . . . . 586 MET QE . 16734 1 999 . 1 1 99 99 MET HE2 H 1 2.256 0.001 . 1 . . . . 586 MET QE . 16734 1 1000 . 1 1 99 99 MET HE3 H 1 2.256 0.001 . 1 . . . . 586 MET QE . 16734 1 1001 . 1 1 99 99 MET HG2 H 1 2.496 0.001 . 2 . . . . 586 MET HG2 . 16734 1 1002 . 1 1 99 99 MET HG3 H 1 2.461 0.001 . 2 . . . . 586 MET HG3 . 16734 1 1003 . 1 1 99 99 MET C C 13 174.960 0.01 . 1 . . . . 586 MET C . 16734 1 1004 . 1 1 99 99 MET CA C 13 53.910 0.01 . 1 . . . . 586 MET CA . 16734 1 1005 . 1 1 99 99 MET CB C 13 35.960 0.01 . 1 . . . . 586 MET CB . 16734 1 1006 . 1 1 99 99 MET N N 15 116.400 0.01 . 1 . . . . 586 MET N . 16734 1 1007 . 1 1 100 100 LEU H H 1 8.634 0.001 . 1 . . . . 587 LEU H . 16734 1 1008 . 1 1 100 100 LEU HA H 1 4.816 0.001 . 1 . . . . 587 LEU HA . 16734 1 1009 . 1 1 100 100 LEU HB2 H 1 1.763 0.001 . 2 . . . . 587 LEU HB2 . 16734 1 1010 . 1 1 100 100 LEU HB3 H 1 1.514 0.001 . 2 . . . . 587 LEU HB3 . 16734 1 1011 . 1 1 100 100 LEU HD11 H 1 0.505 0.001 . 1 . . . . 587 LEU QD1 . 16734 1 1012 . 1 1 100 100 LEU HD12 H 1 0.505 0.001 . 1 . . . . 587 LEU QD1 . 16734 1 1013 . 1 1 100 100 LEU HD13 H 1 0.505 0.001 . 1 . . . . 587 LEU QD1 . 16734 1 1014 . 1 1 100 100 LEU HD21 H 1 -0.080 0.001 . 1 . . . . 587 LEU QD2 . 16734 1 1015 . 1 1 100 100 LEU HD22 H 1 -0.080 0.001 . 1 . . . . 587 LEU QD2 . 16734 1 1016 . 1 1 100 100 LEU HD23 H 1 -0.080 0.001 . 1 . . . . 587 LEU QD2 . 16734 1 1017 . 1 1 100 100 LEU HG H 1 1.163 0.001 . 1 . . . . 587 LEU HG . 16734 1 1018 . 1 1 100 100 LEU C C 13 176.400 0.01 . 1 . . . . 587 LEU C . 16734 1 1019 . 1 1 100 100 LEU CA C 13 54.660 0.01 . 1 . . . . 587 LEU CA . 16734 1 1020 . 1 1 100 100 LEU CB C 13 43.310 0.01 . 1 . . . . 587 LEU CB . 16734 1 1021 . 1 1 100 100 LEU N N 15 123.540 0.01 . 1 . . . . 587 LEU N . 16734 1 1022 . 1 1 101 101 ASP H H 1 9.360 0.001 . 1 . . . . 588 ASP H . 16734 1 1023 . 1 1 101 101 ASP HA H 1 4.824 0.001 . 1 . . . . 588 ASP HA . 16734 1 1024 . 1 1 101 101 ASP HB2 H 1 2.814 0.001 . 2 . . . . 588 ASP HB2 . 16734 1 1025 . 1 1 101 101 ASP HB3 H 1 2.478 0.001 . 2 . . . . 588 ASP HB3 . 16734 1 1026 . 1 1 101 101 ASP C C 13 173.360 0.01 . 1 . . . . 588 ASP C . 16734 1 1027 . 1 1 101 101 ASP CA C 13 52.810 0.01 . 1 . . . . 588 ASP CA . 16734 1 1028 . 1 1 101 101 ASP CB C 13 41.150 0.01 . 1 . . . . 588 ASP CB . 16734 1 1029 . 1 1 101 101 ASP N N 15 128.830 0.01 . 1 . . . . 588 ASP N . 16734 1 1030 . 1 1 102 102 LYS H H 1 8.519 0.001 . 1 . . . . 589 LYS H . 16734 1 1031 . 1 1 102 102 LYS HA H 1 4.693 0.001 . 1 . . . . 589 LYS HA . 16734 1 1032 . 1 1 102 102 LYS HB2 H 1 1.937 0.001 . 2 . . . . 589 LYS HB2 . 16734 1 1033 . 1 1 102 102 LYS HB3 H 1 1.757 0.001 . 2 . . . . 589 LYS HB3 . 16734 1 1034 . 1 1 102 102 LYS HD2 H 1 1.562 0.001 . 2 . . . . 589 LYS HD2 . 16734 1 1035 . 1 1 102 102 LYS HE2 H 1 2.935 0.001 . 2 . . . . 589 LYS HE2 . 16734 1 1036 . 1 1 102 102 LYS HG2 H 1 1.393 0.001 . 2 . . . . 589 LYS HG2 . 16734 1 1037 . 1 1 102 102 LYS HG3 H 1 1.165 0.001 . 2 . . . . 589 LYS HG3 . 16734 1 1038 . 1 1 102 102 LYS C C 13 177.140 0.01 . 1 . . . . 589 LYS C . 16734 1 1039 . 1 1 102 102 LYS CA C 13 56.280 0.01 . 1 . . . . 589 LYS CA . 16734 1 1040 . 1 1 102 102 LYS CB C 13 33.400 0.01 . 1 . . . . 589 LYS CB . 16734 1 1041 . 1 1 102 102 LYS N N 15 126.310 0.01 . 1 . . . . 589 LYS N . 16734 1 1042 . 1 1 103 103 GLY H H 1 8.706 0.001 . 1 . . . . 590 GLY H . 16734 1 1043 . 1 1 103 103 GLY HA2 H 1 4.412 0.001 . 2 . . . . 590 GLY HA2 . 16734 1 1044 . 1 1 103 103 GLY HA3 H 1 3.544 0.001 . 2 . . . . 590 GLY HA3 . 16734 1 1045 . 1 1 103 103 GLY C C 13 173.130 0.01 . 1 . . . . 590 GLY C . 16734 1 1046 . 1 1 103 103 GLY CA C 13 44.080 0.01 . 1 . . . . 590 GLY CA . 16734 1 1047 . 1 1 103 103 GLY N N 15 115.050 0.01 . 1 . . . . 590 GLY N . 16734 1 1048 . 1 1 104 104 ALA H H 1 8.776 0.001 . 1 . . . . 591 ALA H . 16734 1 1049 . 1 1 104 104 ALA HA H 1 4.233 0.001 . 1 . . . . 591 ALA HA . 16734 1 1050 . 1 1 104 104 ALA HB1 H 1 1.379 0.001 . 1 . . . . 591 ALA QB . 16734 1 1051 . 1 1 104 104 ALA HB2 H 1 1.379 0.001 . 1 . . . . 591 ALA QB . 16734 1 1052 . 1 1 104 104 ALA HB3 H 1 1.379 0.001 . 1 . . . . 591 ALA QB . 16734 1 1053 . 1 1 104 104 ALA C C 13 178.190 0.01 . 1 . . . . 591 ALA C . 16734 1 1054 . 1 1 104 104 ALA CA C 13 52.850 0.01 . 1 . . . . 591 ALA CA . 16734 1 1055 . 1 1 104 104 ALA CB C 13 18.860 0.01 . 1 . . . . 591 ALA CB . 16734 1 1056 . 1 1 104 104 ALA N N 15 123.850 0.01 . 1 . . . . 591 ALA N . 16734 1 1057 . 1 1 105 105 ASP H H 1 8.683 0.001 . 1 . . . . 592 ASP H . 16734 1 1058 . 1 1 105 105 ASP HA H 1 5.280 0.001 . 1 . . . . 592 ASP HA . 16734 1 1059 . 1 1 105 105 ASP HB2 H 1 2.599 0.001 . 2 . . . . 592 ASP HB2 . 16734 1 1060 . 1 1 105 105 ASP HB3 H 1 2.566 0.001 . 2 . . . . 592 ASP HB3 . 16734 1 1061 . 1 1 105 105 ASP C C 13 176.730 0.01 . 1 . . . . 592 ASP C . 16734 1 1062 . 1 1 105 105 ASP CA C 13 54.600 0.01 . 1 . . . . 592 ASP CA . 16734 1 1063 . 1 1 105 105 ASP CB C 13 41.070 0.01 . 1 . . . . 592 ASP CB . 16734 1 1064 . 1 1 105 105 ASP N N 15 121.450 0.01 . 1 . . . . 592 ASP N . 16734 1 1065 . 1 1 106 106 VAL H H 1 8.512 0.001 . 1 . . . . 593 VAL H . 16734 1 1066 . 1 1 106 106 VAL HA H 1 4.195 0.001 . 1 . . . . 593 VAL HA . 16734 1 1067 . 1 1 106 106 VAL HB H 1 1.674 0.001 . 1 . . . . 593 VAL HB . 16734 1 1068 . 1 1 106 106 VAL HG11 H 1 0.843 0.001 . 1 . . . . 593 VAL QG1 . 16734 1 1069 . 1 1 106 106 VAL HG12 H 1 0.843 0.001 . 1 . . . . 593 VAL QG1 . 16734 1 1070 . 1 1 106 106 VAL HG13 H 1 0.843 0.001 . 1 . . . . 593 VAL QG1 . 16734 1 1071 . 1 1 106 106 VAL HG21 H 1 0.814 0.001 . 1 . . . . 593 VAL QG2 . 16734 1 1072 . 1 1 106 106 VAL HG22 H 1 0.814 0.001 . 1 . . . . 593 VAL QG2 . 16734 1 1073 . 1 1 106 106 VAL HG23 H 1 0.814 0.001 . 1 . . . . 593 VAL QG2 . 16734 1 1074 . 1 1 106 106 VAL C C 13 175.810 0.01 . 1 . . . . 593 VAL C . 16734 1 1075 . 1 1 106 106 VAL CA C 13 60.680 0.01 . 1 . . . . 593 VAL CA . 16734 1 1076 . 1 1 106 106 VAL CB C 13 35.560 0.01 . 1 . . . . 593 VAL CB . 16734 1 1077 . 1 1 106 106 VAL N N 15 119.790 0.01 . 1 . . . . 593 VAL N . 16734 1 1078 . 1 1 107 107 ASP H H 1 9.142 0.001 . 1 . . . . 594 ASP H . 16734 1 1079 . 1 1 107 107 ASP HA H 1 4.631 0.001 . 1 . . . . 594 ASP HA . 16734 1 1080 . 1 1 107 107 ASP HB2 H 1 2.912 0.001 . 2 . . . . 594 ASP HB2 . 16734 1 1081 . 1 1 107 107 ASP HB3 H 1 2.552 0.001 . 2 . . . . 594 ASP HB3 . 16734 1 1082 . 1 1 107 107 ASP C C 13 174.880 0.01 . 1 . . . . 594 ASP C . 16734 1 1083 . 1 1 107 107 ASP CA C 13 53.950 0.01 . 1 . . . . 594 ASP CA . 16734 1 1084 . 1 1 107 107 ASP CB C 13 38.510 0.01 . 1 . . . . 594 ASP CB . 16734 1 1085 . 1 1 107 107 ASP N N 15 127.410 0.01 . 1 . . . . 594 ASP N . 16734 1 1086 . 1 1 108 108 ALA H H 1 8.504 0.001 . 1 . . . . 595 ALA H . 16734 1 1087 . 1 1 108 108 ALA HA H 1 4.648 0.001 . 1 . . . . 595 ALA HA . 16734 1 1088 . 1 1 108 108 ALA HB1 H 1 1.343 0.001 . 1 . . . . 595 ALA QB . 16734 1 1089 . 1 1 108 108 ALA HB2 H 1 1.343 0.001 . 1 . . . . 595 ALA QB . 16734 1 1090 . 1 1 108 108 ALA HB3 H 1 1.343 0.001 . 1 . . . . 595 ALA QB . 16734 1 1091 . 1 1 108 108 ALA C C 13 177.050 0.01 . 1 . . . . 595 ALA C . 16734 1 1092 . 1 1 108 108 ALA CA C 13 51.050 0.01 . 1 . . . . 595 ALA CA . 16734 1 1093 . 1 1 108 108 ALA CB C 13 20.700 0.01 . 1 . . . . 595 ALA CB . 16734 1 1094 . 1 1 108 108 ALA N N 15 131.600 0.01 . 1 . . . . 595 ALA N . 16734 1 1095 . 1 1 109 109 GLY H H 1 8.115 0.001 . 1 . . . . 596 GLY H . 16734 1 1096 . 1 1 109 109 GLY HA2 H 1 4.472 0.001 . 2 . . . . 596 GLY HA2 . 16734 1 1097 . 1 1 109 109 GLY HA3 H 1 3.902 0.001 . 2 . . . . 596 GLY HA3 . 16734 1 1098 . 1 1 109 109 GLY C C 13 176.540 0.01 . 1 . . . . 596 GLY C . 16734 1 1099 . 1 1 109 109 GLY CA C 13 44.650 0.01 . 1 . . . . 596 GLY CA . 16734 1 1100 . 1 1 109 109 GLY N N 15 108.220 0.01 . 1 . . . . 596 GLY N . 16734 1 1101 . 1 1 110 110 GLY H H 1 8.893 0.001 . 1 . . . . 597 GLY H . 16734 1 1102 . 1 1 110 110 GLY HA2 H 1 3.980 0.001 . 2 . . . . 597 GLY HA2 . 16734 1 1103 . 1 1 110 110 GLY HA3 H 1 3.926 0.001 . 2 . . . . 597 GLY HA3 . 16734 1 1104 . 1 1 110 110 GLY C C 13 177.300 0.01 . 1 . . . . 597 GLY C . 16734 1 1105 . 1 1 110 110 GLY CA C 13 47.750 0.01 . 1 . . . . 597 GLY CA . 16734 1 1106 . 1 1 110 110 GLY N N 15 109.630 0.01 . 1 . . . . 597 GLY N . 16734 1 1107 . 1 1 111 111 SER H H 1 8.675 0.001 . 1 . . . . 598 SER H . 16734 1 1108 . 1 1 111 111 SER HA H 1 4.359 0.001 . 1 . . . . 598 SER HA . 16734 1 1109 . 1 1 111 111 SER HB2 H 1 3.980 0.001 . 2 . . . . 598 SER HB2 . 16734 1 1110 . 1 1 111 111 SER HB3 H 1 3.957 0.001 . 2 . . . . 598 SER HB3 . 16734 1 1111 . 1 1 111 111 SER C C 13 175.470 0.01 . 1 . . . . 598 SER C . 16734 1 1112 . 1 1 111 111 SER CA C 13 60.720 0.01 . 1 . . . . 598 SER CA . 16734 1 1113 . 1 1 111 111 SER CB C 13 62.800 0.01 . 1 . . . . 598 SER CB . 16734 1 1114 . 1 1 111 111 SER N N 15 115.790 0.01 . 1 . . . . 598 SER N . 16734 1 1115 . 1 1 112 112 GLN H H 1 7.375 0.001 . 1 . . . . 599 GLN H . 16734 1 1116 . 1 1 112 112 GLN HA H 1 4.491 0.001 . 1 . . . . 599 GLN HA . 16734 1 1117 . 1 1 112 112 GLN HB2 H 1 1.673 0.001 . 2 . . . . 599 GLN HB2 . 16734 1 1118 . 1 1 112 112 GLN HB3 H 1 1.355 0.001 . 2 . . . . 599 GLN HB3 . 16734 1 1119 . 1 1 112 112 GLN HE21 H 1 7.289 0.001 . 2 . . . . 599 GLN HE21 . 16734 1 1120 . 1 1 112 112 GLN HE22 H 1 6.519 0.001 . 2 . . . . 599 GLN HE22 . 16734 1 1121 . 1 1 112 112 GLN HG2 H 1 2.300 0.001 . 2 . . . . 599 GLN HG2 . 16734 1 1122 . 1 1 112 112 GLN HG3 H 1 2.143 0.001 . 2 . . . . 599 GLN HG3 . 16734 1 1123 . 1 1 112 112 GLN C C 13 175.290 0.01 . 1 . . . . 599 GLN C . 16734 1 1124 . 1 1 112 112 GLN CA C 13 54.200 0.01 . 1 . . . . 599 GLN CA . 16734 1 1125 . 1 1 112 112 GLN CB C 13 28.530 0.01 . 1 . . . . 599 GLN CB . 16734 1 1126 . 1 1 112 112 GLN N N 15 116.970 0.01 . 1 . . . . 599 GLN N . 16734 1 1127 . 1 1 112 112 GLN NE2 N 15 111.480 0.01 . 1 . . . . 599 GLN NE2 . 16734 1 1128 . 1 1 113 113 HIS H H 1 7.336 0.001 . 1 . . . . 600 HIS H . 16734 1 1129 . 1 1 113 113 HIS HA H 1 4.343 0.001 . 1 . . . . 600 HIS HA . 16734 1 1130 . 1 1 113 113 HIS HB2 H 1 3.413 0.001 . 2 . . . . 600 HIS HB2 . 16734 1 1131 . 1 1 113 113 HIS HB3 H 1 3.228 0.001 . 2 . . . . 600 HIS HB3 . 16734 1 1132 . 1 1 113 113 HIS HD2 H 1 7.300 0.001 . 1 . . . . 600 HIS HD2 . 16734 1 1133 . 1 1 113 113 HIS HE1 H 1 8.604 0.001 . 1 . . . . 600 HIS HE1 . 16734 1 1134 . 1 1 113 113 HIS C C 13 175.930 0.01 . 1 . . . . 600 HIS C . 16734 1 1135 . 1 1 113 113 HIS CA C 13 57.050 0.01 . 1 . . . . 600 HIS CA . 16734 1 1136 . 1 1 113 113 HIS CB C 13 29.090 0.01 . 1 . . . . 600 HIS CB . 16734 1 1137 . 1 1 113 113 HIS N N 15 119.540 0.01 . 1 . . . . 600 HIS N . 16734 1 1138 . 1 1 114 114 ASN H H 1 9.266 0.001 . 1 . . . . 601 ASN H . 16734 1 1139 . 1 1 114 114 ASN HA H 1 4.316 0.001 . 1 . . . . 601 ASN HA . 16734 1 1140 . 1 1 114 114 ASN HB2 H 1 3.248 0.001 . 2 . . . . 601 ASN HB2 . 16734 1 1141 . 1 1 114 114 ASN HB3 H 1 2.953 0.001 . 2 . . . . 601 ASN HB3 . 16734 1 1142 . 1 1 114 114 ASN HD21 H 1 7.484 0.001 . 2 . . . . 601 ASN HD21 . 16734 1 1143 . 1 1 114 114 ASN HD22 H 1 6.683 0.001 . 2 . . . . 601 ASN HD22 . 16734 1 1144 . 1 1 114 114 ASN C C 13 173.500 0.01 . 1 . . . . 601 ASN C . 16734 1 1145 . 1 1 114 114 ASN CA C 13 54.930 0.01 . 1 . . . . 601 ASN CA . 16734 1 1146 . 1 1 114 114 ASN CB C 13 36.840 0.01 . 1 . . . . 601 ASN CB . 16734 1 1147 . 1 1 114 114 ASN N N 15 120.710 0.01 . 1 . . . . 601 ASN N . 16734 1 1148 . 1 1 114 114 ASN ND2 N 15 109.630 0.01 . 1 . . . . 601 ASN ND2 . 16734 1 1149 . 1 1 115 115 ARG H H 1 8.434 0.001 . 1 . . . . 602 ARG H . 16734 1 1150 . 1 1 115 115 ARG HA H 1 4.854 0.001 . 1 . . . . 602 ARG HA . 16734 1 1151 . 1 1 115 115 ARG HB2 H 1 1.527 0.001 . 2 . . . . 602 ARG HB2 . 16734 1 1152 . 1 1 115 115 ARG HB3 H 1 1.495 0.001 . 2 . . . . 602 ARG HB3 . 16734 1 1153 . 1 1 115 115 ARG HD2 H 1 3.025 0.001 . 2 . . . . 602 ARG HD2 . 16734 1 1154 . 1 1 115 115 ARG HD3 H 1 2.956 0.001 . 2 . . . . 602 ARG HD3 . 16734 1 1155 . 1 1 115 115 ARG HE H 1 6.903 0.001 . 1 . . . . 602 ARG HE . 16734 1 1156 . 1 1 115 115 ARG HG2 H 1 1.218 0.001 . 2 . . . . 602 ARG HG2 . 16734 1 1157 . 1 1 115 115 ARG HG3 H 1 0.517 0.001 . 2 . . . . 602 ARG HG3 . 16734 1 1158 . 1 1 115 115 ARG C C 13 177.300 0.01 . 1 . . . . 602 ARG C . 16734 1 1159 . 1 1 115 115 ARG CA C 13 54.690 0.01 . 1 . . . . 602 ARG CA . 16734 1 1160 . 1 1 115 115 ARG CB C 13 33.000 0.01 . 1 . . . . 602 ARG CB . 16734 1 1161 . 1 1 115 115 ARG N N 15 119.050 0.01 . 1 . . . . 602 ARG N . 16734 1 1162 . 1 1 115 115 ARG NE N 15 85.250 0.01 . 1 . . . . 602 ARG NE . 16734 1 1163 . 1 1 116 116 VAL H H 1 8.917 0.001 . 1 . . . . 603 VAL H . 16734 1 1164 . 1 1 116 116 VAL HA H 1 3.110 0.001 . 1 . . . . 603 VAL HA . 16734 1 1165 . 1 1 116 116 VAL HB H 1 2.291 0.001 . 1 . . . . 603 VAL HB . 16734 1 1166 . 1 1 116 116 VAL HG11 H 1 0.862 0.001 . 1 . . . . 603 VAL QG1 . 16734 1 1167 . 1 1 116 116 VAL HG12 H 1 0.862 0.001 . 1 . . . . 603 VAL QG1 . 16734 1 1168 . 1 1 116 116 VAL HG13 H 1 0.862 0.001 . 1 . . . . 603 VAL QG1 . 16734 1 1169 . 1 1 116 116 VAL HG21 H 1 0.524 0.001 . 1 . . . . 603 VAL QG2 . 16734 1 1170 . 1 1 116 116 VAL HG22 H 1 0.524 0.001 . 1 . . . . 603 VAL QG2 . 16734 1 1171 . 1 1 116 116 VAL HG23 H 1 0.524 0.001 . 1 . . . . 603 VAL QG2 . 16734 1 1172 . 1 1 116 116 VAL C C 13 177.430 0.01 . 1 . . . . 603 VAL C . 16734 1 1173 . 1 1 116 116 VAL CA C 13 65.620 0.01 . 1 . . . . 603 VAL CA . 16734 1 1174 . 1 1 116 116 VAL CB C 13 32.760 0.01 . 1 . . . . 603 VAL CB . 16734 1 1175 . 1 1 116 116 VAL N N 15 120.900 0.01 . 1 . . . . 603 VAL N . 16734 1 1176 . 1 1 117 117 VAL H H 1 8.963 0.001 . 1 . . . . 604 VAL H . 16734 1 1177 . 1 1 117 117 VAL HA H 1 4.231 0.001 . 1 . . . . 604 VAL HA . 16734 1 1178 . 1 1 117 117 VAL HB H 1 1.783 0.001 . 1 . . . . 604 VAL HB . 16734 1 1179 . 1 1 117 117 VAL HG11 H 1 0.681 0.001 . 1 . . . . 604 VAL QG1 . 16734 1 1180 . 1 1 117 117 VAL HG12 H 1 0.681 0.001 . 1 . . . . 604 VAL QG1 . 16734 1 1181 . 1 1 117 117 VAL HG13 H 1 0.681 0.001 . 1 . . . . 604 VAL QG1 . 16734 1 1182 . 1 1 117 117 VAL HG21 H 1 0.538 0.001 . 1 . . . . 604 VAL QG2 . 16734 1 1183 . 1 1 117 117 VAL HG22 H 1 0.538 0.001 . 1 . . . . 604 VAL QG2 . 16734 1 1184 . 1 1 117 117 VAL HG23 H 1 0.538 0.001 . 1 . . . . 604 VAL QG2 . 16734 1 1185 . 1 1 117 117 VAL C C 13 174.950 0.01 . 1 . . . . 604 VAL C . 16734 1 1186 . 1 1 117 117 VAL CA C 13 62.230 0.01 . 1 . . . . 604 VAL CA . 16734 1 1187 . 1 1 117 117 VAL CB C 13 33.800 0.01 . 1 . . . . 604 VAL CB . 16734 1 1188 . 1 1 117 117 VAL N N 15 125.570 0.01 . 1 . . . . 604 VAL N . 16734 1 1189 . 1 1 118 118 TYR H H 1 7.585 0.001 . 1 . . . . 605 TYR H . 16734 1 1190 . 1 1 118 118 TYR HA H 1 4.877 0.001 . 1 . . . . 605 TYR HA . 16734 1 1191 . 1 1 118 118 TYR HB2 H 1 2.855 0.001 . 2 . . . . 605 TYR HB2 . 16734 1 1192 . 1 1 118 118 TYR HB3 H 1 2.630 0.001 . 2 . . . . 605 TYR HB3 . 16734 1 1193 . 1 1 118 118 TYR HD1 H 1 6.843 0.001 . 3 . . . . 605 TYR QD . 16734 1 1194 . 1 1 118 118 TYR HD2 H 1 6.843 0.001 . 3 . . . . 605 TYR QD . 16734 1 1195 . 1 1 118 118 TYR HE1 H 1 6.621 0.001 . 3 . . . . 605 TYR QE . 16734 1 1196 . 1 1 118 118 TYR HE2 H 1 6.621 0.001 . 3 . . . . 605 TYR QE . 16734 1 1197 . 1 1 118 118 TYR C C 13 172.860 0.01 . 1 . . . . 605 TYR C . 16734 1 1198 . 1 1 118 118 TYR CA C 13 56.600 0.01 . 1 . . . . 605 TYR CA . 16734 1 1199 . 1 1 118 118 TYR CB C 13 42.430 0.01 . 1 . . . . 605 TYR CB . 16734 1 1200 . 1 1 118 118 TYR N N 15 119.790 0.01 . 1 . . . . 605 TYR N . 16734 1 1201 . 1 1 119 119 GLN H H 1 7.834 0.001 . 1 . . . . 606 GLN H . 16734 1 1202 . 1 1 119 119 GLN HA H 1 5.139 0.001 . 1 . . . . 606 GLN HA . 16734 1 1203 . 1 1 119 119 GLN HB2 H 1 1.691 0.001 . 2 . . . . 606 GLN HB2 . 16734 1 1204 . 1 1 119 119 GLN HB3 H 1 1.166 0.001 . 2 . . . . 606 GLN HB3 . 16734 1 1205 . 1 1 119 119 GLN HE21 H 1 7.640 0.001 . 2 . . . . 606 GLN HE21 . 16734 1 1206 . 1 1 119 119 GLN HE22 H 1 6.773 0.001 . 2 . . . . 606 GLN HE22 . 16734 1 1207 . 1 1 119 119 GLN HG2 H 1 1.965 0.001 . 2 . . . . 606 GLN HG2 . 16734 1 1208 . 1 1 119 119 GLN HG3 H 1 1.923 0.001 . 2 . . . . 606 GLN HG3 . 16734 1 1209 . 1 1 119 119 GLN C C 13 172.100 0.01 . 1 . . . . 606 GLN C . 16734 1 1210 . 1 1 119 119 GLN CA C 13 52.930 0.01 . 1 . . . . 606 GLN CA . 16734 1 1211 . 1 1 119 119 GLN CB C 13 35.960 0.01 . 1 . . . . 606 GLN CB . 16734 1 1212 . 1 1 119 119 GLN N N 15 119.720 0.01 . 1 . . . . 606 GLN N . 16734 1 1213 . 1 1 119 119 GLN NE2 N 15 112.280 0.01 . 1 . . . . 606 GLN NE2 . 16734 1 1214 . 1 1 120 120 ASN H H 1 8.549 0.001 . 1 . . . . 607 ASN H . 16734 1 1215 . 1 1 120 120 ASN HA H 1 4.410 0.001 . 1 . . . . 607 ASN HA . 16734 1 1216 . 1 1 120 120 ASN HB2 H 1 2.660 0.001 . 2 . . . . 607 ASN HB2 . 16734 1 1217 . 1 1 120 120 ASN HB3 H 1 2.609 0.001 . 2 . . . . 607 ASN HB3 . 16734 1 1218 . 1 1 120 120 ASN HD21 H 1 7.848 0.001 . 2 . . . . 607 ASN HD21 . 16734 1 1219 . 1 1 120 120 ASN HD22 H 1 7.181 0.001 . 2 . . . . 607 ASN HD22 . 16734 1 1220 . 1 1 120 120 ASN C C 13 172.460 0.01 . 1 . . . . 607 ASN C . 16734 1 1221 . 1 1 120 120 ASN CA C 13 51.500 0.01 . 1 . . . . 607 ASN CA . 16734 1 1222 . 1 1 120 120 ASN CB C 13 35.670 0.01 . 1 . . . . 607 ASN CB . 16734 1 1223 . 1 1 120 120 ASN N N 15 120.130 0.01 . 1 . . . . 607 ASN N . 16734 1 1224 . 1 1 120 120 ASN ND2 N 15 114.560 0.01 . 1 . . . . 607 ASN ND2 . 16734 1 1225 . 1 1 121 121 PRO HD2 H 1 3.910 0.001 . 2 . . . . 608 PRO HD2 . 16734 1 1226 . 1 1 121 121 PRO HD3 H 1 3.910 0.001 . 2 . . . . 608 PRO HD3 . 16734 1 1227 . 1 1 122 122 PRO HA H 1 4.303 0.001 . 1 . . . . 609 PRO HA . 16734 1 1228 . 1 1 122 122 PRO HB2 H 1 2.326 0.001 . 2 . . . . 609 PRO HB2 . 16734 1 1229 . 1 1 122 122 PRO HB3 H 1 1.730 0.001 . 2 . . . . 609 PRO HB3 . 16734 1 1230 . 1 1 122 122 PRO HG2 H 1 1.950 0.001 . 2 . . . . 609 PRO HG2 . 16734 1 1231 . 1 1 122 122 PRO HG3 H 1 1.950 0.001 . 2 . . . . 609 PRO HG3 . 16734 1 1232 . 1 1 122 122 PRO C C 13 176.780 0.01 . 1 . . . . 609 PRO C . 16734 1 1233 . 1 1 122 122 PRO CA C 13 62.110 0.01 . 1 . . . . 609 PRO CA . 16734 1 1234 . 1 1 122 122 PRO CB C 13 32.440 0.01 . 1 . . . . 609 PRO CB . 16734 1 1235 . 1 1 123 123 ALA H H 1 8.908 0.001 . 1 . . . . 610 ALA H . 16734 1 1236 . 1 1 123 123 ALA HA H 1 3.461 0.001 . 1 . . . . 610 ALA HA . 16734 1 1237 . 1 1 123 123 ALA HB1 H 1 1.160 0.001 . 1 . . . . 610 ALA QB . 16734 1 1238 . 1 1 123 123 ALA HB2 H 1 1.160 0.001 . 1 . . . . 610 ALA QB . 16734 1 1239 . 1 1 123 123 ALA HB3 H 1 1.160 0.001 . 1 . . . . 610 ALA QB . 16734 1 1240 . 1 1 123 123 ALA C C 13 178.250 0.01 . 1 . . . . 610 ALA C . 16734 1 1241 . 1 1 123 123 ALA CA C 13 53.090 0.01 . 1 . . . . 610 ALA CA . 16734 1 1242 . 1 1 123 123 ALA CB C 13 17.740 0.01 . 1 . . . . 610 ALA CB . 16734 1 1243 . 1 1 123 123 ALA N N 15 125.140 0.01 . 1 . . . . 610 ALA N . 16734 1 1244 . 1 1 124 124 GLY H H 1 9.445 0.001 . 1 . . . . 611 GLY H . 16734 1 1245 . 1 1 124 124 GLY HA2 H 1 4.306 0.001 . 2 . . . . 611 GLY HA2 . 16734 1 1246 . 1 1 124 124 GLY HA3 H 1 3.356 0.001 . 2 . . . . 611 GLY HA3 . 16734 1 1247 . 1 1 124 124 GLY C C 13 174.100 0.01 . 1 . . . . 611 GLY C . 16734 1 1248 . 1 1 124 124 GLY CA C 13 45.180 0.01 . 1 . . . . 611 GLY CA . 16734 1 1249 . 1 1 124 124 GLY N N 15 110.560 0.01 . 1 . . . . 611 GLY N . 16734 1 1250 . 1 1 125 125 THR H H 1 7.414 0.001 . 1 . . . . 612 THR H . 16734 1 1251 . 1 1 125 125 THR HA H 1 4.226 0.001 . 1 . . . . 612 THR HA . 16734 1 1252 . 1 1 125 125 THR HB H 1 3.893 0.001 . 1 . . . . 612 THR HB . 16734 1 1253 . 1 1 125 125 THR HG21 H 1 1.212 0.001 . 1 . . . . 612 THR QG2 . 16734 1 1254 . 1 1 125 125 THR HG22 H 1 1.212 0.001 . 1 . . . . 612 THR QG2 . 16734 1 1255 . 1 1 125 125 THR HG23 H 1 1.212 0.001 . 1 . . . . 612 THR QG2 . 16734 1 1256 . 1 1 125 125 THR C C 13 173.360 0.01 . 1 . . . . 612 THR C . 16734 1 1257 . 1 1 125 125 THR CA C 13 62.480 0.01 . 1 . . . . 612 THR CA . 16734 1 1258 . 1 1 125 125 THR CB C 13 70.390 0.01 . 1 . . . . 612 THR CB . 16734 1 1259 . 1 1 125 125 THR N N 15 116.160 0.01 . 1 . . . . 612 THR N . 16734 1 1260 . 1 1 126 126 GLY H H 1 8.792 0.001 . 1 . . . . 613 GLY H . 16734 1 1261 . 1 1 126 126 GLY HA2 H 1 4.123 0.001 . 2 . . . . 613 GLY HA2 . 16734 1 1262 . 1 1 126 126 GLY HA3 H 1 3.250 0.001 . 2 . . . . 613 GLY HA3 . 16734 1 1263 . 1 1 126 126 GLY C C 13 172.510 0.01 . 1 . . . . 613 GLY C . 16734 1 1264 . 1 1 126 126 GLY CA C 13 45.140 0.01 . 1 . . . . 613 GLY CA . 16734 1 1265 . 1 1 126 126 GLY N N 15 112.280 0.01 . 1 . . . . 613 GLY N . 16734 1 1266 . 1 1 127 127 VAL H H 1 8.698 0.001 . 1 . . . . 614 VAL H . 16734 1 1267 . 1 1 127 127 VAL HA H 1 4.017 0.001 . 1 . . . . 614 VAL HA . 16734 1 1268 . 1 1 127 127 VAL HB H 1 1.863 0.001 . 1 . . . . 614 VAL HB . 16734 1 1269 . 1 1 127 127 VAL HG11 H 1 0.605 0.001 . 1 . . . . 614 VAL QG1 . 16734 1 1270 . 1 1 127 127 VAL HG12 H 1 0.605 0.001 . 1 . . . . 614 VAL QG1 . 16734 1 1271 . 1 1 127 127 VAL HG13 H 1 0.605 0.001 . 1 . . . . 614 VAL QG1 . 16734 1 1272 . 1 1 127 127 VAL HG21 H 1 0.467 0.001 . 1 . . . . 614 VAL QG2 . 16734 1 1273 . 1 1 127 127 VAL HG22 H 1 0.467 0.001 . 1 . . . . 614 VAL QG2 . 16734 1 1274 . 1 1 127 127 VAL HG23 H 1 0.467 0.001 . 1 . . . . 614 VAL QG2 . 16734 1 1275 . 1 1 127 127 VAL C C 13 173.700 0.01 . 1 . . . . 614 VAL C . 16734 1 1276 . 1 1 127 127 VAL CA C 13 59.950 0.01 . 1 . . . . 614 VAL CA . 16734 1 1277 . 1 1 127 127 VAL CB C 13 33.880 0.01 . 1 . . . . 614 VAL CB . 16734 1 1278 . 1 1 127 127 VAL N N 15 126.250 0.01 . 1 . . . . 614 VAL N . 16734 1 1279 . 1 1 128 128 ASN H H 1 8.823 0.001 . 1 . . . . 615 ASN H . 16734 1 1280 . 1 1 128 128 ASN HA H 1 4.564 0.001 . 1 . . . . 615 ASN HA . 16734 1 1281 . 1 1 128 128 ASN HB2 H 1 2.971 0.001 . 2 . . . . 615 ASN HB2 . 16734 1 1282 . 1 1 128 128 ASN HB3 H 1 2.629 0.001 . 2 . . . . 615 ASN HB3 . 16734 1 1283 . 1 1 128 128 ASN HD21 H 1 7.648 0.001 . 2 . . . . 615 ASN HD21 . 16734 1 1284 . 1 1 128 128 ASN HD22 H 1 6.605 0.001 . 2 . . . . 615 ASN HD22 . 16734 1 1285 . 1 1 128 128 ASN C C 13 178.070 0.01 . 1 . . . . 615 ASN C . 16734 1 1286 . 1 1 128 128 ASN CA C 13 54.520 0.01 . 1 . . . . 615 ASN CA . 16734 1 1287 . 1 1 128 128 ASN CB C 13 37.560 0.01 . 1 . . . . 615 ASN CB . 16734 1 1288 . 1 1 128 128 ASN N N 15 126.310 0.01 . 1 . . . . 615 ASN N . 16734 1 1289 . 1 1 128 128 ASN ND2 N 15 109.330 0.01 . 1 . . . . 615 ASN ND2 . 16734 1 1290 . 1 1 129 129 ARG H H 1 8.626 0.001 . 1 . . . . 616 ARG H . 16734 1 1291 . 1 1 129 129 ARG HA H 1 4.320 0.001 . 1 . . . . 616 ARG HA . 16734 1 1292 . 1 1 129 129 ARG HB2 H 1 2.233 0.001 . 2 . . . . 616 ARG HB2 . 16734 1 1293 . 1 1 129 129 ARG HB3 H 1 1.866 0.001 . 2 . . . . 616 ARG HB3 . 16734 1 1294 . 1 1 129 129 ARG HD2 H 1 3.342 0.001 . 2 . . . . 616 ARG HD2 . 16734 1 1295 . 1 1 129 129 ARG HD3 H 1 3.298 0.001 . 2 . . . . 616 ARG HD3 . 16734 1 1296 . 1 1 129 129 ARG HE H 1 7.319 0.001 . 1 . . . . 616 ARG HE . 16734 1 1297 . 1 1 129 129 ARG HG2 H 1 1.830 0.001 . 2 . . . . 616 ARG HG2 . 16734 1 1298 . 1 1 129 129 ARG HG3 H 1 1.670 0.001 . 2 . . . . 616 ARG HG3 . 16734 1 1299 . 1 1 129 129 ARG C C 13 175.760 0.01 . 1 . . . . 616 ARG C . 16734 1 1300 . 1 1 129 129 ARG CA C 13 61.700 0.01 . 1 . . . . 616 ARG CA . 16734 1 1301 . 1 1 129 129 ARG CB C 13 29.970 0.01 . 1 . . . . 616 ARG CB . 16734 1 1302 . 1 1 129 129 ARG N N 15 120.920 0.01 . 1 . . . . 616 ARG N . 16734 1 1303 . 1 1 129 129 ARG NE N 15 84.230 0.01 . 1 . . . . 616 ARG NE . 16734 1 1304 . 1 1 130 130 ASP H H 1 8.138 0.001 . 1 . . . . 617 ASP H . 16734 1 1305 . 1 1 130 130 ASP HA H 1 4.536 0.001 . 1 . . . . 617 ASP HA . 16734 1 1306 . 1 1 130 130 ASP HB2 H 1 2.952 0.001 . 2 . . . . 617 ASP HB2 . 16734 1 1307 . 1 1 130 130 ASP HB3 H 1 2.335 0.001 . 2 . . . . 617 ASP HB3 . 16734 1 1308 . 1 1 130 130 ASP C C 13 177.400 0.01 . 1 . . . . 617 ASP C . 16734 1 1309 . 1 1 130 130 ASP CA C 13 52.320 0.01 . 1 . . . . 617 ASP CA . 16734 1 1310 . 1 1 130 130 ASP CB C 13 40.030 0.01 . 1 . . . . 617 ASP CB . 16734 1 1311 . 1 1 130 130 ASP N N 15 113.570 0.01 . 1 . . . . 617 ASP N . 16734 1 1312 . 1 1 131 131 GLY H H 1 8.333 0.001 . 1 . . . . 618 GLY H . 16734 1 1313 . 1 1 131 131 GLY HA2 H 1 4.190 0.001 . 2 . . . . 618 GLY HA2 . 16734 1 1314 . 1 1 131 131 GLY HA3 H 1 3.655 0.001 . 2 . . . . 618 GLY HA3 . 16734 1 1315 . 1 1 131 131 GLY C C 13 173.080 0.01 . 1 . . . . 618 GLY C . 16734 1 1316 . 1 1 131 131 GLY CA C 13 45.460 0.01 . 1 . . . . 618 GLY CA . 16734 1 1317 . 1 1 131 131 GLY N N 15 108.340 0.01 . 1 . . . . 618 GLY N . 16734 1 1318 . 1 1 132 132 ILE H H 1 8.434 0.001 . 1 . . . . 619 ILE H . 16734 1 1319 . 1 1 132 132 ILE HA H 1 4.829 0.001 . 1 . . . . 619 ILE HA . 16734 1 1320 . 1 1 132 132 ILE HB H 1 1.771 0.001 . 1 . . . . 619 ILE HB . 16734 1 1321 . 1 1 132 132 ILE HD11 H 1 -0.100 0.001 . 1 . . . . 619 ILE QD1 . 16734 1 1322 . 1 1 132 132 ILE HD12 H 1 -0.100 0.001 . 1 . . . . 619 ILE QD1 . 16734 1 1323 . 1 1 132 132 ILE HD13 H 1 -0.100 0.001 . 1 . . . . 619 ILE QD1 . 16734 1 1324 . 1 1 132 132 ILE HG12 H 1 1.251 0.001 . 2 . . . . 619 ILE HG12 . 16734 1 1325 . 1 1 132 132 ILE HG13 H 1 1.217 0.001 . 2 . . . . 619 ILE HG13 . 16734 1 1326 . 1 1 132 132 ILE HG21 H 1 0.916 0.001 . 1 . . . . 619 ILE QG2 . 16734 1 1327 . 1 1 132 132 ILE HG22 H 1 0.916 0.001 . 1 . . . . 619 ILE QG2 . 16734 1 1328 . 1 1 132 132 ILE HG23 H 1 0.916 0.001 . 1 . . . . 619 ILE QG2 . 16734 1 1329 . 1 1 132 132 ILE C C 13 177.380 0.01 . 1 . . . . 619 ILE C . 16734 1 1330 . 1 1 132 132 ILE CA C 13 61.620 0.01 . 1 . . . . 619 ILE CA . 16734 1 1331 . 1 1 132 132 ILE CB C 13 39.150 0.01 . 1 . . . . 619 ILE CB . 16734 1 1332 . 1 1 132 132 ILE N N 15 121.880 0.01 . 1 . . . . 619 ILE N . 16734 1 1333 . 1 1 133 133 ILE H H 1 7.959 0.001 . 1 . . . . 620 ILE H . 16734 1 1334 . 1 1 133 133 ILE HA H 1 4.623 0.001 . 1 . . . . 620 ILE HA . 16734 1 1335 . 1 1 133 133 ILE HB H 1 1.490 0.001 . 1 . . . . 620 ILE HB . 16734 1 1336 . 1 1 133 133 ILE HD11 H 1 0.537 0.001 . 1 . . . . 620 ILE QD1 . 16734 1 1337 . 1 1 133 133 ILE HD12 H 1 0.537 0.001 . 1 . . . . 620 ILE QD1 . 16734 1 1338 . 1 1 133 133 ILE HD13 H 1 0.537 0.001 . 1 . . . . 620 ILE QD1 . 16734 1 1339 . 1 1 133 133 ILE HG12 H 1 1.251 0.001 . 2 . . . . 620 ILE HG12 . 16734 1 1340 . 1 1 133 133 ILE HG13 H 1 1.209 0.001 . 2 . . . . 620 ILE HG13 . 16734 1 1341 . 1 1 133 133 ILE HG21 H 1 0.911 0.001 . 1 . . . . 620 ILE QG2 . 16734 1 1342 . 1 1 133 133 ILE HG22 H 1 0.911 0.001 . 1 . . . . 620 ILE QG2 . 16734 1 1343 . 1 1 133 133 ILE HG23 H 1 0.911 0.001 . 1 . . . . 620 ILE QG2 . 16734 1 1344 . 1 1 133 133 ILE C C 13 174.340 0.01 . 1 . . . . 620 ILE C . 16734 1 1345 . 1 1 133 133 ILE CA C 13 60.110 0.01 . 1 . . . . 620 ILE CA . 16734 1 1346 . 1 1 133 133 ILE CB C 13 40.750 0.01 . 1 . . . . 620 ILE CB . 16734 1 1347 . 1 1 133 133 ILE N N 15 127.480 0.01 . 1 . . . . 620 ILE N . 16734 1 1348 . 1 1 134 134 THR H H 1 8.986 0.001 . 1 . . . . 621 THR H . 16734 1 1349 . 1 1 134 134 THR HA H 1 5.770 0.001 . 1 . . . . 621 THR HA . 16734 1 1350 . 1 1 134 134 THR HB H 1 3.910 0.001 . 1 . . . . 621 THR HB . 16734 1 1351 . 1 1 134 134 THR HG21 H 1 1.159 0.001 . 1 . . . . 621 THR QG2 . 16734 1 1352 . 1 1 134 134 THR HG22 H 1 1.159 0.001 . 1 . . . . 621 THR QG2 . 16734 1 1353 . 1 1 134 134 THR HG23 H 1 1.159 0.001 . 1 . . . . 621 THR QG2 . 16734 1 1354 . 1 1 134 134 THR C C 13 174.070 0.01 . 1 . . . . 621 THR C . 16734 1 1355 . 1 1 134 134 THR CA C 13 61.170 0.01 . 1 . . . . 621 THR CA . 16734 1 1356 . 1 1 134 134 THR CB C 13 70.550 0.01 . 1 . . . . 621 THR CB . 16734 1 1357 . 1 1 134 134 THR N N 15 125.020 0.01 . 1 . . . . 621 THR N . 16734 1 1358 . 1 1 135 135 LEU H H 1 7.889 0.001 . 1 . . . . 622 LEU H . 16734 1 1359 . 1 1 135 135 LEU HA H 1 5.185 0.001 . 1 . . . . 622 LEU HA . 16734 1 1360 . 1 1 135 135 LEU HB2 H 1 1.305 0.001 . 2 . . . . 622 LEU HB2 . 16734 1 1361 . 1 1 135 135 LEU HB3 H 1 1.268 0.001 . 2 . . . . 622 LEU HB3 . 16734 1 1362 . 1 1 135 135 LEU HD11 H 1 0.758 0.001 . 1 . . . . 622 LEU QD1 . 16734 1 1363 . 1 1 135 135 LEU HD12 H 1 0.758 0.001 . 1 . . . . 622 LEU QD1 . 16734 1 1364 . 1 1 135 135 LEU HD13 H 1 0.758 0.001 . 1 . . . . 622 LEU QD1 . 16734 1 1365 . 1 1 135 135 LEU HD21 H 1 0.689 0.001 . 1 . . . . 622 LEU QD2 . 16734 1 1366 . 1 1 135 135 LEU HD22 H 1 0.689 0.001 . 1 . . . . 622 LEU QD2 . 16734 1 1367 . 1 1 135 135 LEU HD23 H 1 0.689 0.001 . 1 . . . . 622 LEU QD2 . 16734 1 1368 . 1 1 135 135 LEU HG H 1 1.150 0.001 . 1 . . . . 622 LEU HG . 16734 1 1369 . 1 1 135 135 LEU C C 13 175.970 0.01 . 1 . . . . 622 LEU C . 16734 1 1370 . 1 1 135 135 LEU CA C 13 52.730 0.01 . 1 . . . . 622 LEU CA . 16734 1 1371 . 1 1 135 135 LEU CB C 13 46.020 0.01 . 1 . . . . 622 LEU CB . 16734 1 1372 . 1 1 135 135 LEU N N 15 122.680 0.01 . 1 . . . . 622 LEU N . 16734 1 1373 . 1 1 136 136 ARG H H 1 8.192 0.001 . 1 . . . . 623 ARG H . 16734 1 1374 . 1 1 136 136 ARG HA H 1 4.484 0.001 . 1 . . . . 623 ARG HA . 16734 1 1375 . 1 1 136 136 ARG HB2 H 1 2.269 0.001 . 2 . . . . 623 ARG HB2 . 16734 1 1376 . 1 1 136 136 ARG HB3 H 1 2.214 0.001 . 2 . . . . 623 ARG HB3 . 16734 1 1377 . 1 1 136 136 ARG HD2 H 1 3.131 0.001 . 2 . . . . 623 ARG HD2 . 16734 1 1378 . 1 1 136 136 ARG HD3 H 1 3.094 0.001 . 2 . . . . 623 ARG HD3 . 16734 1 1379 . 1 1 136 136 ARG HE H 1 8.100 0.001 . 1 . . . . 623 ARG HE . 16734 1 1380 . 1 1 136 136 ARG HG2 H 1 1.619 0.001 . 2 . . . . 623 ARG HG2 . 16734 1 1381 . 1 1 136 136 ARG HG3 H 1 1.392 0.001 . 2 . . . . 623 ARG HG3 . 16734 1 1382 . 1 1 136 136 ARG C C 13 174.600 0.01 . 1 . . . . 623 ARG C . 16734 1 1383 . 1 1 136 136 ARG CA C 13 55.340 0.01 . 1 . . . . 623 ARG CA . 16734 1 1384 . 1 1 136 136 ARG CB C 13 38.430 0.01 . 1 . . . . 623 ARG CB . 16734 1 1385 . 1 1 136 136 ARG N N 15 116.890 0.01 . 1 . . . . 623 ARG N . 16734 1 1386 . 1 1 136 136 ARG NE N 15 84.650 0.01 . 1 . . . . 623 ARG NE . 16734 1 1387 . 1 1 137 137 PHE H H 1 9.936 0.001 . 1 . . . . 624 PHE H . 16734 1 1388 . 1 1 137 137 PHE HA H 1 5.202 0.001 . 1 . . . . 624 PHE HA . 16734 1 1389 . 1 1 137 137 PHE HB2 H 1 2.972 0.001 . 2 . . . . 624 PHE HB2 . 16734 1 1390 . 1 1 137 137 PHE HB3 H 1 2.673 0.001 . 2 . . . . 624 PHE HB3 . 16734 1 1391 . 1 1 137 137 PHE HD1 H 1 7.234 0.001 . 3 . . . . 624 PHE QD . 16734 1 1392 . 1 1 137 137 PHE HD2 H 1 7.234 0.001 . 3 . . . . 624 PHE QD . 16734 1 1393 . 1 1 137 137 PHE HE1 H 1 7.074 0.001 . 3 . . . . 624 PHE QE . 16734 1 1394 . 1 1 137 137 PHE HE2 H 1 7.074 0.001 . 3 . . . . 624 PHE QE . 16734 1 1395 . 1 1 137 137 PHE HZ H 1 6.928 0.001 . 1 . . . . 624 PHE HZ . 16734 1 1396 . 1 1 137 137 PHE C C 13 176.170 0.01 . 1 . . . . 624 PHE C . 16734 1 1397 . 1 1 137 137 PHE CA C 13 56.360 0.01 . 1 . . . . 624 PHE CA . 16734 1 1398 . 1 1 137 137 PHE CB C 13 42.590 0.01 . 1 . . . . 624 PHE CB . 16734 1 1399 . 1 1 137 137 PHE N N 15 124.280 0.01 . 1 . . . . 624 PHE N . 16734 1 1400 . 1 1 138 138 GLY H H 1 9.235 0.001 . 1 . . . . 625 GLY H . 16734 1 1401 . 1 1 138 138 GLY HA2 H 1 4.520 0.001 . 2 . . . . 625 GLY HA2 . 16734 1 1402 . 1 1 138 138 GLY HA3 H 1 4.016 0.001 . 2 . . . . 625 GLY HA3 . 16734 1 1403 . 1 1 138 138 GLY C C 13 176.550 0.01 . 1 . . . . 625 GLY C . 16734 1 1404 . 1 1 138 138 GLY CA C 13 46.080 0.01 . 1 . . . . 625 GLY CA . 16734 1 1405 . 1 1 138 138 GLY N N 15 108.160 0.01 . 1 . . . . 625 GLY N . 16734 1 1406 . 1 1 139 139 GLN H H 1 9.142 0.001 . 1 . . . . 626 GLN H . 16734 1 1407 . 1 1 139 139 GLN HA H 1 4.016 0.001 . 1 . . . . 626 GLN HA . 16734 1 1408 . 1 1 139 139 GLN HB2 H 1 1.979 0.001 . 2 . . . . 626 GLN HB2 . 16734 1 1409 . 1 1 139 139 GLN HB3 H 1 1.956 0.001 . 2 . . . . 626 GLN HB3 . 16734 1 1410 . 1 1 139 139 GLN HE21 H 1 7.475 0.001 . 2 . . . . 626 GLN HE21 . 16734 1 1411 . 1 1 139 139 GLN HE22 H 1 6.806 0.001 . 2 . . . . 626 GLN HE22 . 16734 1 1412 . 1 1 139 139 GLN HG2 H 1 2.530 0.001 . 2 . . . . 626 GLN HG2 . 16734 1 1413 . 1 1 139 139 GLN HG3 H 1 2.320 0.001 . 2 . . . . 626 GLN HG3 . 16734 1 1414 . 1 1 139 139 GLN CA C 13 58.510 0.01 . 1 . . . . 626 GLN CA . 16734 1 1415 . 1 1 139 139 GLN N N 15 133.200 0.01 . 1 . . . . 626 GLN N . 16734 1 1416 . 1 1 139 139 GLN NE2 N 15 110.970 0.01 . 1 . . . . 626 GLN NE2 . 16734 1 stop_ save_