data_17414 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17414 _Entry.Title ; Structure of an engineered splicing intein mutant based on Mycobacterium tuberculosis RecA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-19 _Entry.Accession_date 2011-01-19 _Entry.Last_release_date 2012-01-04 _Entry.Original_release_date 2012-01-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Zhenming Du . . . 17414 2 Chunyu Wang . . . 17414 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17414 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID intein . 17414 Mtu . 17414 nmr . 17414 RecA . 17414 splicing . 17414 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17414 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 288 17414 '15N chemical shifts' 137 17414 '1H chemical shifts' 904 17414 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 . . 2012-01-04 2011-01-19 original author . 17414 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L8L 'BMRB Entry Tracking System' 17414 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17414 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21604815 _Citation.Full_citation . _Citation.Title 'pK(a) coupling at the intein active site: implications for the coordination mechanism of protein splicing with a conserved aspartate' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 133 _Citation.Journal_issue 26 _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 10275 _Citation.Page_last 10282 _Citation.Year 2011 _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 Zhenming Du . . . 17414 1 2 Yuchuan Zheng . . . 17414 1 3 Yangzhong Liu . . . 17414 1 4 Marlene Belfort . . . 17414 1 5 Chunyu Wang . . . 17414 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17414 _Assembly.ID 1 _Assembly.Name RecA _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 RecA 1 $entity A . yes native no no . . . 17414 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17414 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RecA _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 ; CLAEGTRIFDPVTGTTHRIE DVVGGRKPIHVVAAAKDGTL HARPVVSWFDQGTRDVIGLR IAGGAILWATPDHKVLTEYG WRAAGELRKGDRVAVRDVET GELRYSVIREVLPTRRARTF DLEVEELHTLVAEGVVVHN ; _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 . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15365.621 _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 BMRB 15560 . DDI-CM . . . . . 100.00 139 99.28 99.28 1.71e-90 . . . . 17414 1 2 no BMRB 16634 . Mtu_RecA_intein . . . . . 100.00 139 98.56 99.28 5.03e-90 . . . . 17414 1 3 no PDB 2IN0 . "Crystal Structure Of Mtu Reca Intein Splicing Domain" . . . . . 100.00 139 99.28 99.28 1.27e-90 . . . . 17414 1 4 no PDB 2IN8 . "Crystal Structure Of Mtu Reca Intein, Splicing Domain" . . . . . 100.00 139 99.28 99.28 1.71e-90 . . . . 17414 1 5 no PDB 2IN9 . "Crystal Structure Of Mtu Reca Intein, Splicing Domain" . . . . . 100.00 139 98.56 99.28 3.75e-90 . . . . 17414 1 6 no PDB 2L8L . "Structure Of An Engineered Splicing Intein Mutant Based On Mycobacterium Tuberculosis Reca" . . . . . 100.00 139 99.28 99.28 1.27e-90 . . . . 17414 1 7 no PDB 3IFJ . "Crystal Structure Of Mtu Reca Intein, Splicing Domain" . . . . . 99.28 139 97.83 99.28 1.75e-88 . . . . 17414 1 8 no PDB 3IGD . "Crystal Structure Of Mtu Reca Intein, Splicing Domain" . . . . . 99.28 139 98.55 99.28 8.32e-89 . . . . 17414 1 9 no EMBL CFR77613 . "recombinase A [Mycobacterium tuberculosis]" . . . . . 67.63 429 97.87 98.94 4.25e-55 . . . . 17414 1 10 no EMBL CMM98736 . "recombinase A [Mycobacterium tuberculosis]" . . . . . 67.63 397 97.87 98.94 2.79e-56 . . . . 17414 1 11 no GB EPZ65824 . "LOW QUALITY PROTEIN: hypothetical protein TBKG_03998, partial [Mycobacterium tuberculosis '98-R604 INH-RIF-EM']" . . . . . 67.63 609 97.87 98.94 3.26e-54 . . . . 17414 1 12 no GB KAM73204 . "protein RecA, partial [Mycobacterium tuberculosis TKK_04_0097]" . . . . . 67.63 582 97.87 98.94 3.73e-54 . . . . 17414 1 13 no REF WP_049963343 . "DNA recombination protein RecA, partial [Mycobacterium tuberculosis]" . . . . . 67.63 582 97.87 98.94 3.73e-54 . . . . 17414 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 . CYS . 17414 1 2 . LEU . 17414 1 3 . ALA . 17414 1 4 . GLU . 17414 1 5 . GLY . 17414 1 6 . THR . 17414 1 7 . ARG . 17414 1 8 . ILE . 17414 1 9 . PHE . 17414 1 10 . ASP . 17414 1 11 . PRO . 17414 1 12 . VAL . 17414 1 13 . THR . 17414 1 14 . GLY . 17414 1 15 . THR . 17414 1 16 . THR . 17414 1 17 . HIS . 17414 1 18 . ARG . 17414 1 19 . ILE . 17414 1 20 . GLU . 17414 1 21 . ASP . 17414 1 22 . VAL . 17414 1 23 . VAL . 17414 1 24 . GLY . 17414 1 25 . GLY . 17414 1 26 . ARG . 17414 1 27 . LYS . 17414 1 28 . PRO . 17414 1 29 . ILE . 17414 1 30 . HIS . 17414 1 31 . VAL . 17414 1 32 . VAL . 17414 1 33 . ALA . 17414 1 34 . ALA . 17414 1 35 . ALA . 17414 1 36 . LYS . 17414 1 37 . ASP . 17414 1 38 . GLY . 17414 1 39 . THR . 17414 1 40 . LEU . 17414 1 41 . HIS . 17414 1 42 . ALA . 17414 1 43 . ARG . 17414 1 44 . PRO . 17414 1 45 . VAL . 17414 1 46 . VAL . 17414 1 47 . SER . 17414 1 48 . TRP . 17414 1 49 . PHE . 17414 1 50 . ASP . 17414 1 51 . GLN . 17414 1 52 . GLY . 17414 1 53 . THR . 17414 1 54 . ARG . 17414 1 55 . ASP . 17414 1 56 . VAL . 17414 1 57 . ILE . 17414 1 58 . GLY . 17414 1 59 . LEU . 17414 1 60 . ARG . 17414 1 61 . ILE . 17414 1 62 . ALA . 17414 1 63 . GLY . 17414 1 64 . GLY . 17414 1 65 . ALA . 17414 1 66 . ILE . 17414 1 67 . LEU . 17414 1 68 . TRP . 17414 1 69 . ALA . 17414 1 70 . THR . 17414 1 71 . PRO . 17414 1 72 . ASP . 17414 1 73 . HIS . 17414 1 74 . LYS . 17414 1 75 . VAL . 17414 1 76 . LEU . 17414 1 77 . THR . 17414 1 78 . GLU . 17414 1 79 . TYR . 17414 1 80 . GLY . 17414 1 81 . TRP . 17414 1 82 . ARG . 17414 1 83 . ALA . 17414 1 84 . ALA . 17414 1 85 . GLY . 17414 1 86 . GLU . 17414 1 87 . LEU . 17414 1 88 . ARG . 17414 1 89 . LYS . 17414 1 90 . GLY . 17414 1 91 . ASP . 17414 1 92 . ARG . 17414 1 93 . VAL . 17414 1 94 . ALA . 17414 1 95 . VAL . 17414 1 96 . ARG . 17414 1 97 . ASP . 17414 1 98 . VAL . 17414 1 99 . GLU . 17414 1 100 . THR . 17414 1 101 . GLY . 17414 1 102 . GLU . 17414 1 103 . LEU . 17414 1 104 . ARG . 17414 1 105 . TYR . 17414 1 106 . SER . 17414 1 107 . VAL . 17414 1 108 . ILE . 17414 1 109 . ARG . 17414 1 110 . GLU . 17414 1 111 . VAL . 17414 1 112 . LEU . 17414 1 113 . PRO . 17414 1 114 . THR . 17414 1 115 . ARG . 17414 1 116 . ARG . 17414 1 117 . ALA . 17414 1 118 . ARG . 17414 1 119 . THR . 17414 1 120 . PHE . 17414 1 121 . ASP . 17414 1 122 . LEU . 17414 1 123 . GLU . 17414 1 124 . VAL . 17414 1 125 . GLU . 17414 1 126 . GLU . 17414 1 127 . LEU . 17414 1 128 . HIS . 17414 1 129 . THR . 17414 1 130 . LEU . 17414 1 131 . VAL . 17414 1 132 . ALA . 17414 1 133 . GLU . 17414 1 134 . GLY . 17414 1 135 . VAL . 17414 1 136 . VAL . 17414 1 137 . VAL . 17414 1 138 . HIS . 17414 1 139 . ASN . 17414 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 . CYS 1 1 17414 1 . LEU 2 2 17414 1 . ALA 3 3 17414 1 . GLU 4 4 17414 1 . GLY 5 5 17414 1 . THR 6 6 17414 1 . ARG 7 7 17414 1 . ILE 8 8 17414 1 . PHE 9 9 17414 1 . ASP 10 10 17414 1 . PRO 11 11 17414 1 . VAL 12 12 17414 1 . THR 13 13 17414 1 . GLY 14 14 17414 1 . THR 15 15 17414 1 . THR 16 16 17414 1 . HIS 17 17 17414 1 . ARG 18 18 17414 1 . ILE 19 19 17414 1 . GLU 20 20 17414 1 . ASP 21 21 17414 1 . VAL 22 22 17414 1 . VAL 23 23 17414 1 . GLY 24 24 17414 1 . GLY 25 25 17414 1 . ARG 26 26 17414 1 . LYS 27 27 17414 1 . PRO 28 28 17414 1 . ILE 29 29 17414 1 . HIS 30 30 17414 1 . VAL 31 31 17414 1 . VAL 32 32 17414 1 . ALA 33 33 17414 1 . ALA 34 34 17414 1 . ALA 35 35 17414 1 . LYS 36 36 17414 1 . ASP 37 37 17414 1 . GLY 38 38 17414 1 . THR 39 39 17414 1 . LEU 40 40 17414 1 . HIS 41 41 17414 1 . ALA 42 42 17414 1 . ARG 43 43 17414 1 . PRO 44 44 17414 1 . VAL 45 45 17414 1 . VAL 46 46 17414 1 . SER 47 47 17414 1 . TRP 48 48 17414 1 . PHE 49 49 17414 1 . ASP 50 50 17414 1 . GLN 51 51 17414 1 . GLY 52 52 17414 1 . THR 53 53 17414 1 . ARG 54 54 17414 1 . ASP 55 55 17414 1 . VAL 56 56 17414 1 . ILE 57 57 17414 1 . GLY 58 58 17414 1 . LEU 59 59 17414 1 . ARG 60 60 17414 1 . ILE 61 61 17414 1 . ALA 62 62 17414 1 . GLY 63 63 17414 1 . GLY 64 64 17414 1 . ALA 65 65 17414 1 . ILE 66 66 17414 1 . LEU 67 67 17414 1 . TRP 68 68 17414 1 . ALA 69 69 17414 1 . THR 70 70 17414 1 . PRO 71 71 17414 1 . ASP 72 72 17414 1 . HIS 73 73 17414 1 . LYS 74 74 17414 1 . VAL 75 75 17414 1 . LEU 76 76 17414 1 . THR 77 77 17414 1 . GLU 78 78 17414 1 . TYR 79 79 17414 1 . GLY 80 80 17414 1 . TRP 81 81 17414 1 . ARG 82 82 17414 1 . ALA 83 83 17414 1 . ALA 84 84 17414 1 . GLY 85 85 17414 1 . GLU 86 86 17414 1 . LEU 87 87 17414 1 . ARG 88 88 17414 1 . LYS 89 89 17414 1 . GLY 90 90 17414 1 . ASP 91 91 17414 1 . ARG 92 92 17414 1 . VAL 93 93 17414 1 . ALA 94 94 17414 1 . VAL 95 95 17414 1 . ARG 96 96 17414 1 . ASP 97 97 17414 1 . VAL 98 98 17414 1 . GLU 99 99 17414 1 . THR 100 100 17414 1 . GLY 101 101 17414 1 . GLU 102 102 17414 1 . LEU 103 103 17414 1 . ARG 104 104 17414 1 . TYR 105 105 17414 1 . SER 106 106 17414 1 . VAL 107 107 17414 1 . ILE 108 108 17414 1 . ARG 109 109 17414 1 . GLU 110 110 17414 1 . VAL 111 111 17414 1 . LEU 112 112 17414 1 . PRO 113 113 17414 1 . THR 114 114 17414 1 . ARG 115 115 17414 1 . ARG 116 116 17414 1 . ALA 117 117 17414 1 . ARG 118 118 17414 1 . THR 119 119 17414 1 . PHE 120 120 17414 1 . ASP 121 121 17414 1 . LEU 122 122 17414 1 . GLU 123 123 17414 1 . VAL 124 124 17414 1 . GLU 125 125 17414 1 . GLU 126 126 17414 1 . LEU 127 127 17414 1 . HIS 128 128 17414 1 . THR 129 129 17414 1 . LEU 130 130 17414 1 . VAL 131 131 17414 1 . ALA 132 132 17414 1 . GLU 133 133 17414 1 . GLY 134 134 17414 1 . VAL 135 135 17414 1 . VAL 136 136 17414 1 . VAL 137 137 17414 1 . HIS 138 138 17414 1 . ASN 139 139 17414 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 17414 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 1773 organism . 'Mycobacterium tuberculosis' 'high GC Gram+' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 17414 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 17414 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETM41 . . . . . . 17414 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17414 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17414 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17414 1 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 17414 1 4 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . . 0.15 0.2 mM . . . . 17414 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17414 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17414 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17414 _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' 150 . mM 17414 1 pH 7 . pH 17414 1 pressure 1 . atm 17414 1 temperature 298 . K 17414 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17414 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17414 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17414 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17414 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17414 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17414 2 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 17414 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model ARX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17414 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model ARX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17414 _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 ARX . 800 . . . 17414 1 2 spectrometer_2 Bruker ARX . 600 . . . 17414 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 17414 _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 HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17414 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17414 1 3 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17414 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 17414 _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 . . . 1 $entry_citation . . 1 $entry_citation 17414 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17414 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17414 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 17414 _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 HCCH-COSY' . . . 17414 1 2 '3D HNCACB' . . . 17414 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 CYS HA H 1 4.599 0.016 . 1 . . . A 1 CYS HA . 17414 1 2 . 1 1 1 1 CYS HB2 H 1 2.953 0.337 . 2 . . . A 1 CYS HB2 . 17414 1 3 . 1 1 1 1 CYS HB3 H 1 2.745 0.232 . 2 . . . A 1 CYS HB3 . 17414 1 4 . 1 1 1 1 CYS CA C 13 56.805 0.155 . 1 . . . A 1 CYS CA . 17414 1 5 . 1 1 1 1 CYS CB C 13 29.852 0.000 . 1 . . . A 1 CYS CB . 17414 1 6 . 1 1 2 2 LEU H H 1 9.247 0.230 . 1 . . . A 2 LEU H . 17414 1 7 . 1 1 2 2 LEU HA H 1 5.005 0.070 . 1 . . . A 2 LEU HA . 17414 1 8 . 1 1 2 2 LEU HB2 H 1 1.821 0.008 . 2 . . . A 2 LEU HB2 . 17414 1 9 . 1 1 2 2 LEU HB3 H 1 1.582 0.064 . 2 . . . A 2 LEU HB3 . 17414 1 10 . 1 1 2 2 LEU HG H 1 1.581 0.087 . 1 . . . A 2 LEU HG . 17414 1 11 . 1 1 2 2 LEU HD11 H 1 0.899 0.023 . 1 . . . A 2 LEU HD11 . 17414 1 12 . 1 1 2 2 LEU HD12 H 1 0.899 0.023 . 1 . . . A 2 LEU HD12 . 17414 1 13 . 1 1 2 2 LEU HD13 H 1 0.899 0.023 . 1 . . . A 2 LEU HD13 . 17414 1 14 . 1 1 2 2 LEU HD21 H 1 0.482 0.024 . 1 . . . A 2 LEU HD21 . 17414 1 15 . 1 1 2 2 LEU HD22 H 1 0.482 0.024 . 1 . . . A 2 LEU HD22 . 17414 1 16 . 1 1 2 2 LEU HD23 H 1 0.482 0.024 . 1 . . . A 2 LEU HD23 . 17414 1 17 . 1 1 2 2 LEU CA C 13 53.355 0.033 . 1 . . . A 2 LEU CA . 17414 1 18 . 1 1 2 2 LEU CB C 13 43.858 0.016 . 1 . . . A 2 LEU CB . 17414 1 19 . 1 1 2 2 LEU CG C 13 26.550 0.000 . 1 . . . A 2 LEU CG . 17414 1 20 . 1 1 2 2 LEU CD1 C 13 25.308 0.000 . 2 . . . A 2 LEU CD1 . 17414 1 21 . 1 1 2 2 LEU CD2 C 13 21.631 0.038 . 2 . . . A 2 LEU CD2 . 17414 1 22 . 1 1 2 2 LEU N N 15 122.945 0.504 . 1 . . . A 2 LEU N . 17414 1 23 . 1 1 3 3 ALA H H 1 8.186 0.015 . 1 . . . A 3 ALA H . 17414 1 24 . 1 1 3 3 ALA HA H 1 4.730 0.027 . 1 . . . A 3 ALA HA . 17414 1 25 . 1 1 3 3 ALA HB1 H 1 1.482 0.021 . 1 . . . A 3 ALA HB1 . 17414 1 26 . 1 1 3 3 ALA HB2 H 1 1.482 0.021 . 1 . . . A 3 ALA HB2 . 17414 1 27 . 1 1 3 3 ALA HB3 H 1 1.482 0.021 . 1 . . . A 3 ALA HB3 . 17414 1 28 . 1 1 3 3 ALA CA C 13 52.302 0.000 . 1 . . . A 3 ALA CA . 17414 1 29 . 1 1 3 3 ALA CB C 13 21.769 0.051 . 1 . . . A 3 ALA CB . 17414 1 30 . 1 1 3 3 ALA N N 15 121.232 0.177 . 1 . . . A 3 ALA N . 17414 1 31 . 1 1 4 4 GLU H H 1 8.746 0.016 . 1 . . . A 4 GLU H . 17414 1 32 . 1 1 4 4 GLU HA H 1 4.074 0.084 . 1 . . . A 4 GLU HA . 17414 1 33 . 1 1 4 4 GLU HB2 H 1 1.746 0.023 . 1 . . . A 4 GLU HB2 . 17414 1 34 . 1 1 4 4 GLU HB3 H 1 1.746 0.023 . 1 . . . A 4 GLU HB3 . 17414 1 35 . 1 1 4 4 GLU HG2 H 1 2.260 0.023 . 2 . . . A 4 GLU HG2 . 17414 1 36 . 1 1 4 4 GLU HG3 H 1 2.088 0.027 . 2 . . . A 4 GLU HG3 . 17414 1 37 . 1 1 4 4 GLU CA C 13 57.136 0.081 . 1 . . . A 4 GLU CA . 17414 1 38 . 1 1 4 4 GLU CB C 13 31.847 0.000 . 1 . . . A 4 GLU CB . 17414 1 39 . 1 1 4 4 GLU N N 15 121.283 0.310 . 1 . . . A 4 GLU N . 17414 1 40 . 1 1 5 5 GLY H H 1 11.322 0.045 . 1 . . . A 5 GLY H . 17414 1 41 . 1 1 5 5 GLY HA2 H 1 4.505 0.029 . 2 . . . A 5 GLY HA2 . 17414 1 42 . 1 1 5 5 GLY HA3 H 1 3.657 0.021 . 2 . . . A 5 GLY HA3 . 17414 1 43 . 1 1 5 5 GLY CA C 13 44.157 0.036 . 1 . . . A 5 GLY CA . 17414 1 44 . 1 1 5 5 GLY N N 15 119.858 0.280 . 1 . . . A 5 GLY N . 17414 1 45 . 1 1 6 6 THR H H 1 7.904 0.020 . 1 . . . A 6 THR H . 17414 1 46 . 1 1 6 6 THR HA H 1 4.301 0.030 . 1 . . . A 6 THR HA . 17414 1 47 . 1 1 6 6 THR HB H 1 4.116 0.024 . 1 . . . A 6 THR HB . 17414 1 48 . 1 1 6 6 THR HG21 H 1 1.392 0.021 . 1 . . . A 6 THR HG21 . 17414 1 49 . 1 1 6 6 THR HG22 H 1 1.392 0.021 . 1 . . . A 6 THR HG22 . 17414 1 50 . 1 1 6 6 THR HG23 H 1 1.392 0.021 . 1 . . . A 6 THR HG23 . 17414 1 51 . 1 1 6 6 THR CA C 13 65.228 0.077 . 1 . . . A 6 THR CA . 17414 1 52 . 1 1 6 6 THR CB C 13 68.654 0.025 . 1 . . . A 6 THR CB . 17414 1 53 . 1 1 6 6 THR N N 15 117.099 0.127 . 1 . . . A 6 THR N . 17414 1 54 . 1 1 7 7 ARG H H 1 9.530 0.015 . 1 . . . A 7 ARG H . 17414 1 55 . 1 1 7 7 ARG HA H 1 4.878 0.030 . 1 . . . A 7 ARG HA . 17414 1 56 . 1 1 7 7 ARG HB2 H 1 1.837 0.027 . 2 . . . A 7 ARG HB2 . 17414 1 57 . 1 1 7 7 ARG HB3 H 1 1.505 0.002 . 2 . . . A 7 ARG HB3 . 17414 1 58 . 1 1 7 7 ARG HG2 H 1 1.525 0.000 . 2 . . . A 7 ARG HG2 . 17414 1 59 . 1 1 7 7 ARG HG3 H 1 1.147 0.003 . 2 . . . A 7 ARG HG3 . 17414 1 60 . 1 1 7 7 ARG HD2 H 1 3.311 0.000 . 2 . . . A 7 ARG HD2 . 17414 1 61 . 1 1 7 7 ARG HD3 H 1 3.251 0.027 . 2 . . . A 7 ARG HD3 . 17414 1 62 . 1 1 7 7 ARG CA C 13 55.868 0.032 . 1 . . . A 7 ARG CA . 17414 1 63 . 1 1 7 7 ARG N N 15 130.107 0.102 . 1 . . . A 7 ARG N . 17414 1 64 . 1 1 8 8 ILE H H 1 9.573 0.025 . 1 . . . A 8 ILE H . 17414 1 65 . 1 1 8 8 ILE HA H 1 4.531 0.027 . 1 . . . A 8 ILE HA . 17414 1 66 . 1 1 8 8 ILE HB H 1 1.806 0.031 . 1 . . . A 8 ILE HB . 17414 1 67 . 1 1 8 8 ILE HG12 H 1 1.393 0.033 . 2 . . . A 8 ILE HG12 . 17414 1 68 . 1 1 8 8 ILE HG13 H 1 1.330 0.051 . 2 . . . A 8 ILE HG13 . 17414 1 69 . 1 1 8 8 ILE HG21 H 1 0.952 0.032 . 1 . . . A 8 ILE HG21 . 17414 1 70 . 1 1 8 8 ILE HG22 H 1 0.952 0.032 . 1 . . . A 8 ILE HG22 . 17414 1 71 . 1 1 8 8 ILE HG23 H 1 0.952 0.032 . 1 . . . A 8 ILE HG23 . 17414 1 72 . 1 1 8 8 ILE HD11 H 1 0.736 0.028 . 1 . . . A 8 ILE HD11 . 17414 1 73 . 1 1 8 8 ILE HD12 H 1 0.736 0.028 . 1 . . . A 8 ILE HD12 . 17414 1 74 . 1 1 8 8 ILE HD13 H 1 0.736 0.028 . 1 . . . A 8 ILE HD13 . 17414 1 75 . 1 1 8 8 ILE CA C 13 59.240 0.092 . 1 . . . A 8 ILE CA . 17414 1 76 . 1 1 8 8 ILE CB C 13 40.450 0.131 . 1 . . . A 8 ILE CB . 17414 1 77 . 1 1 8 8 ILE CG2 C 13 17.976 0.343 . 1 . . . A 8 ILE CG2 . 17414 1 78 . 1 1 8 8 ILE N N 15 123.872 0.403 . 1 . . . A 8 ILE N . 17414 1 79 . 1 1 9 9 PHE H H 1 8.242 0.094 . 1 . . . A 9 PHE H . 17414 1 80 . 1 1 9 9 PHE HA H 1 4.832 0.024 . 1 . . . A 9 PHE HA . 17414 1 81 . 1 1 9 9 PHE HB2 H 1 3.124 0.020 . 2 . . . A 9 PHE HB2 . 17414 1 82 . 1 1 9 9 PHE HB3 H 1 2.802 0.024 . 2 . . . A 9 PHE HB3 . 17414 1 83 . 1 1 9 9 PHE HD1 H 1 6.958 0.026 . 1 . . . A 9 PHE HD1 . 17414 1 84 . 1 1 9 9 PHE HD2 H 1 6.958 0.026 . 1 . . . A 9 PHE HD2 . 17414 1 85 . 1 1 9 9 PHE HE1 H 1 7.098 0.012 . 1 . . . A 9 PHE HE1 . 17414 1 86 . 1 1 9 9 PHE HE2 H 1 7.098 0.012 . 1 . . . A 9 PHE HE2 . 17414 1 87 . 1 1 9 9 PHE HZ H 1 7.119 0.000 . 1 . . . A 9 PHE HZ . 17414 1 88 . 1 1 9 9 PHE CA C 13 56.960 0.040 . 1 . . . A 9 PHE CA . 17414 1 89 . 1 1 9 9 PHE CB C 13 40.542 0.028 . 1 . . . A 9 PHE CB . 17414 1 90 . 1 1 9 9 PHE N N 15 129.317 0.180 . 1 . . . A 9 PHE N . 17414 1 91 . 1 1 10 10 ASP H H 1 8.258 0.014 . 1 . . . A 10 ASP H . 17414 1 92 . 1 1 10 10 ASP HA H 1 5.529 0.026 . 1 . . . A 10 ASP HA . 17414 1 93 . 1 1 10 10 ASP HB2 H 1 3.168 0.029 . 2 . . . A 10 ASP HB2 . 17414 1 94 . 1 1 10 10 ASP HB3 H 1 2.558 0.021 . 2 . . . A 10 ASP HB3 . 17414 1 95 . 1 1 10 10 ASP CA C 13 49.160 0.068 . 1 . . . A 10 ASP CA . 17414 1 96 . 1 1 10 10 ASP CB C 13 43.037 0.044 . 1 . . . A 10 ASP CB . 17414 1 97 . 1 1 10 10 ASP N N 15 128.073 0.093 . 1 . . . A 10 ASP N . 17414 1 98 . 1 1 11 11 PRO HA H 1 3.974 0.009 . 1 . . . A 11 PRO HA . 17414 1 99 . 1 1 11 11 PRO HB2 H 1 2.035 0.009 . 2 . . . A 11 PRO HB2 . 17414 1 100 . 1 1 11 11 PRO HB3 H 1 1.845 0.034 . 2 . . . A 11 PRO HB3 . 17414 1 101 . 1 1 11 11 PRO HD2 H 1 3.704 0.023 . 2 . . . A 11 PRO HD2 . 17414 1 102 . 1 1 11 11 PRO HD3 H 1 3.552 0.026 . 2 . . . A 11 PRO HD3 . 17414 1 103 . 1 1 11 11 PRO CA C 13 62.348 0.033 . 1 . . . A 11 PRO CA . 17414 1 104 . 1 1 11 11 PRO CB C 13 30.977 0.494 . 1 . . . A 11 PRO CB . 17414 1 105 . 1 1 12 12 VAL H H 1 8.926 0.013 . 1 . . . A 12 VAL H . 17414 1 106 . 1 1 12 12 VAL HA H 1 3.591 0.023 . 1 . . . A 12 VAL HA . 17414 1 107 . 1 1 12 12 VAL HB H 1 2.268 0.028 . 1 . . . A 12 VAL HB . 17414 1 108 . 1 1 12 12 VAL HG11 H 1 0.663 0.022 . 2 . . . A 12 VAL HG11 . 17414 1 109 . 1 1 12 12 VAL HG12 H 1 0.663 0.022 . 2 . . . A 12 VAL HG12 . 17414 1 110 . 1 1 12 12 VAL HG13 H 1 0.663 0.022 . 2 . . . A 12 VAL HG13 . 17414 1 111 . 1 1 12 12 VAL HG21 H 1 0.234 0.027 . 2 . . . A 12 VAL HG21 . 17414 1 112 . 1 1 12 12 VAL HG22 H 1 0.234 0.027 . 2 . . . A 12 VAL HG22 . 17414 1 113 . 1 1 12 12 VAL HG23 H 1 0.234 0.027 . 2 . . . A 12 VAL HG23 . 17414 1 114 . 1 1 12 12 VAL CA C 13 64.849 0.089 . 1 . . . A 12 VAL CA . 17414 1 115 . 1 1 12 12 VAL N N 15 124.105 0.114 . 1 . . . A 12 VAL N . 17414 1 116 . 1 1 13 13 THR H H 1 7.102 0.026 . 1 . . . A 13 THR H . 17414 1 117 . 1 1 13 13 THR HA H 1 4.228 0.023 . 1 . . . A 13 THR HA . 17414 1 118 . 1 1 13 13 THR HB H 1 4.335 0.001 . 1 . . . A 13 THR HB . 17414 1 119 . 1 1 13 13 THR HG21 H 1 1.235 0.025 . 1 . . . A 13 THR HG21 . 17414 1 120 . 1 1 13 13 THR HG22 H 1 1.235 0.025 . 1 . . . A 13 THR HG22 . 17414 1 121 . 1 1 13 13 THR HG23 H 1 1.235 0.025 . 1 . . . A 13 THR HG23 . 17414 1 122 . 1 1 13 13 THR CA C 13 60.944 0.028 . 1 . . . A 13 THR CA . 17414 1 123 . 1 1 13 13 THR CB C 13 69.447 0.027 . 1 . . . A 13 THR CB . 17414 1 124 . 1 1 13 13 THR N N 15 107.133 0.133 . 1 . . . A 13 THR N . 17414 1 125 . 1 1 14 14 GLY H H 1 8.354 0.005 . 1 . . . A 14 GLY H . 17414 1 126 . 1 1 14 14 GLY HA2 H 1 4.061 0.019 . 2 . . . A 14 GLY HA2 . 17414 1 127 . 1 1 14 14 GLY HA3 H 1 3.615 0.026 . 2 . . . A 14 GLY HA3 . 17414 1 128 . 1 1 14 14 GLY CA C 13 45.650 0.042 . 1 . . . A 14 GLY CA . 17414 1 129 . 1 1 14 14 GLY N N 15 112.897 0.093 . 1 . . . A 14 GLY N . 17414 1 130 . 1 1 15 15 THR H H 1 7.635 0.012 . 1 . . . A 15 THR H . 17414 1 131 . 1 1 15 15 THR HA H 1 4.276 0.028 . 1 . . . A 15 THR HA . 17414 1 132 . 1 1 15 15 THR HB H 1 3.776 0.024 . 1 . . . A 15 THR HB . 17414 1 133 . 1 1 15 15 THR HG21 H 1 0.679 0.024 . 1 . . . A 15 THR HG21 . 17414 1 134 . 1 1 15 15 THR HG22 H 1 0.679 0.024 . 1 . . . A 15 THR HG22 . 17414 1 135 . 1 1 15 15 THR HG23 H 1 0.679 0.024 . 1 . . . A 15 THR HG23 . 17414 1 136 . 1 1 15 15 THR CA C 13 61.382 0.015 . 1 . . . A 15 THR CA . 17414 1 137 . 1 1 15 15 THR CB C 13 70.037 0.040 . 1 . . . A 15 THR CB . 17414 1 138 . 1 1 15 15 THR N N 15 117.286 0.164 . 1 . . . A 15 THR N . 17414 1 139 . 1 1 16 16 THR H H 1 8.495 0.014 . 1 . . . A 16 THR H . 17414 1 140 . 1 1 16 16 THR HA H 1 4.911 0.037 . 1 . . . A 16 THR HA . 17414 1 141 . 1 1 16 16 THR HB H 1 3.930 0.021 . 1 . . . A 16 THR HB . 17414 1 142 . 1 1 16 16 THR HG21 H 1 1.131 0.028 . 1 . . . A 16 THR HG21 . 17414 1 143 . 1 1 16 16 THR HG22 H 1 1.131 0.028 . 1 . . . A 16 THR HG22 . 17414 1 144 . 1 1 16 16 THR HG23 H 1 1.131 0.028 . 1 . . . A 16 THR HG23 . 17414 1 145 . 1 1 16 16 THR CA C 13 62.321 0.062 . 1 . . . A 16 THR CA . 17414 1 146 . 1 1 16 16 THR CB C 13 69.184 0.171 . 1 . . . A 16 THR CB . 17414 1 147 . 1 1 16 16 THR N N 15 120.518 0.254 . 1 . . . A 16 THR N . 17414 1 148 . 1 1 17 17 HIS H H 1 8.978 0.015 . 1 . . . A 17 HIS H . 17414 1 149 . 1 1 17 17 HIS HA H 1 4.586 0.027 . 1 . . . A 17 HIS HA . 17414 1 150 . 1 1 17 17 HIS HB2 H 1 2.975 0.021 . 2 . . . A 17 HIS HB2 . 17414 1 151 . 1 1 17 17 HIS HB3 H 1 2.579 0.024 . 2 . . . A 17 HIS HB3 . 17414 1 152 . 1 1 17 17 HIS HD2 H 1 6.790 0.025 . 1 . . . A 17 HIS HD2 . 17414 1 153 . 1 1 17 17 HIS HE1 H 1 7.627 0.000 . 1 . . . A 17 HIS HE1 . 17414 1 154 . 1 1 17 17 HIS CA C 13 54.406 0.138 . 1 . . . A 17 HIS CA . 17414 1 155 . 1 1 17 17 HIS CB C 13 35.299 0.046 . 1 . . . A 17 HIS CB . 17414 1 156 . 1 1 17 17 HIS N N 15 127.011 0.200 . 1 . . . A 17 HIS N . 17414 1 157 . 1 1 18 18 ARG H H 1 9.339 0.016 . 1 . . . A 18 ARG H . 17414 1 158 . 1 1 18 18 ARG HA H 1 4.679 0.050 . 1 . . . A 18 ARG HA . 17414 1 159 . 1 1 18 18 ARG HB2 H 1 2.009 0.033 . 2 . . . A 18 ARG HB2 . 17414 1 160 . 1 1 18 18 ARG HB3 H 1 1.680 0.011 . 2 . . . A 18 ARG HB3 . 17414 1 161 . 1 1 18 18 ARG HG2 H 1 1.448 0.000 . 2 . . . A 18 ARG HG2 . 17414 1 162 . 1 1 18 18 ARG HD2 H 1 3.223 0.032 . 2 . . . A 18 ARG HD2 . 17414 1 163 . 1 1 18 18 ARG CA C 13 54.802 0.000 . 1 . . . A 18 ARG CA . 17414 1 164 . 1 1 18 18 ARG CB C 13 29.657 0.000 . 1 . . . A 18 ARG CB . 17414 1 165 . 1 1 18 18 ARG N N 15 120.890 0.159 . 1 . . . A 18 ARG N . 17414 1 166 . 1 1 19 19 ILE H H 1 8.953 0.038 . 1 . . . A 19 ILE H . 17414 1 167 . 1 1 19 19 ILE HA H 1 3.696 0.024 . 1 . . . A 19 ILE HA . 17414 1 168 . 1 1 19 19 ILE HB H 1 1.775 0.022 . 1 . . . A 19 ILE HB . 17414 1 169 . 1 1 19 19 ILE HG12 H 1 1.371 0.041 . 2 . . . A 19 ILE HG12 . 17414 1 170 . 1 1 19 19 ILE HG13 H 1 1.084 0.058 . 2 . . . A 19 ILE HG13 . 17414 1 171 . 1 1 19 19 ILE HG21 H 1 1.038 0.045 . 1 . . . A 19 ILE HG21 . 17414 1 172 . 1 1 19 19 ILE HG22 H 1 1.038 0.045 . 1 . . . A 19 ILE HG22 . 17414 1 173 . 1 1 19 19 ILE HG23 H 1 1.038 0.045 . 1 . . . A 19 ILE HG23 . 17414 1 174 . 1 1 19 19 ILE HD11 H 1 0.891 0.019 . 1 . . . A 19 ILE HD11 . 17414 1 175 . 1 1 19 19 ILE HD12 H 1 0.891 0.019 . 1 . . . A 19 ILE HD12 . 17414 1 176 . 1 1 19 19 ILE HD13 H 1 0.891 0.019 . 1 . . . A 19 ILE HD13 . 17414 1 177 . 1 1 19 19 ILE CA C 13 66.021 0.032 . 1 . . . A 19 ILE CA . 17414 1 178 . 1 1 19 19 ILE CB C 13 37.936 0.029 . 1 . . . A 19 ILE CB . 17414 1 179 . 1 1 19 19 ILE CG1 C 13 28.782 1.033 . 1 . . . A 19 ILE CG1 . 17414 1 180 . 1 1 19 19 ILE CG2 C 13 17.008 0.038 . 1 . . . A 19 ILE CG2 . 17414 1 181 . 1 1 19 19 ILE N N 15 125.005 0.187 . 1 . . . A 19 ILE N . 17414 1 182 . 1 1 20 20 GLU H H 1 10.787 0.110 . 1 . . . A 20 GLU H . 17414 1 183 . 1 1 20 20 GLU HA H 1 2.787 0.033 . 1 . . . A 20 GLU HA . 17414 1 184 . 1 1 20 20 GLU HB2 H 1 1.516 0.026 . 2 . . . A 20 GLU HB2 . 17414 1 185 . 1 1 20 20 GLU HG2 H 1 2.400 0.032 . 2 . . . A 20 GLU HG2 . 17414 1 186 . 1 1 20 20 GLU HG3 H 1 2.141 0.028 . 2 . . . A 20 GLU HG3 . 17414 1 187 . 1 1 20 20 GLU CA C 13 57.675 0.024 . 1 . . . A 20 GLU CA . 17414 1 188 . 1 1 20 20 GLU CB C 13 28.945 0.000 . 1 . . . A 20 GLU CB . 17414 1 189 . 1 1 20 20 GLU CG C 13 33.781 0.149 . 1 . . . A 20 GLU CG . 17414 1 190 . 1 1 20 20 GLU N N 15 123.813 0.178 . 1 . . . A 20 GLU N . 17414 1 191 . 1 1 21 21 ASP H H 1 7.157 0.134 . 1 . . . A 21 ASP H . 17414 1 192 . 1 1 21 21 ASP HA H 1 4.489 0.045 . 1 . . . A 21 ASP HA . 17414 1 193 . 1 1 21 21 ASP HB2 H 1 2.994 0.022 . 2 . . . A 21 ASP HB2 . 17414 1 194 . 1 1 21 21 ASP HB3 H 1 2.724 0.048 . 2 . . . A 21 ASP HB3 . 17414 1 195 . 1 1 21 21 ASP CA C 13 55.734 0.020 . 1 . . . A 21 ASP CA . 17414 1 196 . 1 1 21 21 ASP CB C 13 40.038 0.013 . 1 . . . A 21 ASP CB . 17414 1 197 . 1 1 21 21 ASP N N 15 123.330 1.208 . 1 . . . A 21 ASP N . 17414 1 198 . 1 1 22 22 VAL H H 1 7.371 0.023 . 1 . . . A 22 VAL H . 17414 1 199 . 1 1 22 22 VAL HA H 1 3.303 0.027 . 1 . . . A 22 VAL HA . 17414 1 200 . 1 1 22 22 VAL HB H 1 2.369 0.024 . 1 . . . A 22 VAL HB . 17414 1 201 . 1 1 22 22 VAL HG11 H 1 1.171 0.024 . 1 . . . A 22 VAL HG11 . 17414 1 202 . 1 1 22 22 VAL HG12 H 1 1.171 0.024 . 1 . . . A 22 VAL HG12 . 17414 1 203 . 1 1 22 22 VAL HG13 H 1 1.171 0.024 . 1 . . . A 22 VAL HG13 . 17414 1 204 . 1 1 22 22 VAL HG21 H 1 0.902 0.026 . 1 . . . A 22 VAL HG21 . 17414 1 205 . 1 1 22 22 VAL HG22 H 1 0.902 0.026 . 1 . . . A 22 VAL HG22 . 17414 1 206 . 1 1 22 22 VAL HG23 H 1 0.902 0.026 . 1 . . . A 22 VAL HG23 . 17414 1 207 . 1 1 22 22 VAL CA C 13 65.768 0.026 . 1 . . . A 22 VAL CA . 17414 1 208 . 1 1 22 22 VAL CB C 13 31.327 0.037 . 1 . . . A 22 VAL CB . 17414 1 209 . 1 1 22 22 VAL N N 15 121.407 0.395 . 1 . . . A 22 VAL N . 17414 1 210 . 1 1 23 23 VAL H H 1 8.250 0.076 . 1 . . . A 23 VAL H . 17414 1 211 . 1 1 23 23 VAL HA H 1 3.928 0.025 . 1 . . . A 23 VAL HA . 17414 1 212 . 1 1 23 23 VAL HB H 1 1.839 0.031 . 1 . . . A 23 VAL HB . 17414 1 213 . 1 1 23 23 VAL HG11 H 1 1.363 0.064 . 2 . . . A 23 VAL HG11 . 17414 1 214 . 1 1 23 23 VAL HG12 H 1 1.363 0.064 . 2 . . . A 23 VAL HG12 . 17414 1 215 . 1 1 23 23 VAL HG13 H 1 1.363 0.064 . 2 . . . A 23 VAL HG13 . 17414 1 216 . 1 1 23 23 VAL HG21 H 1 1.149 0.028 . 2 . . . A 23 VAL HG21 . 17414 1 217 . 1 1 23 23 VAL HG22 H 1 1.149 0.028 . 2 . . . A 23 VAL HG22 . 17414 1 218 . 1 1 23 23 VAL HG23 H 1 1.149 0.028 . 2 . . . A 23 VAL HG23 . 17414 1 219 . 1 1 23 23 VAL CA C 13 66.310 0.058 . 1 . . . A 23 VAL CA . 17414 1 220 . 1 1 23 23 VAL CG2 C 13 20.301 0.029 . 2 . . . A 23 VAL CG2 . 17414 1 221 . 1 1 23 23 VAL N N 15 116.800 0.318 . 1 . . . A 23 VAL N . 17414 1 222 . 1 1 24 24 GLY H H 1 8.755 0.000 . 1 . . . A 24 GLY H . 17414 1 223 . 1 1 24 24 GLY N N 15 120.577 0.000 . 1 . . . A 24 GLY N . 17414 1 224 . 1 1 25 25 GLY H H 1 7.278 0.021 . 1 . . . A 25 GLY H . 17414 1 225 . 1 1 25 25 GLY HA2 H 1 4.203 0.055 . 2 . . . A 25 GLY HA2 . 17414 1 226 . 1 1 25 25 GLY HA3 H 1 3.183 0.033 . 1 . . . A 25 GLY HA3 . 17414 1 227 . 1 1 25 25 GLY CA C 13 43.755 0.100 . 1 . . . A 25 GLY CA . 17414 1 228 . 1 1 25 25 GLY N N 15 103.034 0.781 . 1 . . . A 25 GLY N . 17414 1 229 . 1 1 26 26 ARG H H 1 7.276 0.033 . 1 . . . A 26 ARG H . 17414 1 230 . 1 1 26 26 ARG HA H 1 1.544 0.047 . 1 . . . A 26 ARG HA . 17414 1 231 . 1 1 26 26 ARG HB2 H 1 1.047 0.030 . 2 . . . A 26 ARG HB2 . 17414 1 232 . 1 1 26 26 ARG HB3 H 1 0.766 0.052 . 2 . . . A 26 ARG HB3 . 17414 1 233 . 1 1 26 26 ARG HG2 H 1 1.043 0.009 . 2 . . . A 26 ARG HG2 . 17414 1 234 . 1 1 26 26 ARG HG3 H 1 -0.112 0.041 . 2 . . . A 26 ARG HG3 . 17414 1 235 . 1 1 26 26 ARG HD2 H 1 3.017 0.100 . 2 . . . A 26 ARG HD2 . 17414 1 236 . 1 1 26 26 ARG HD3 H 1 2.892 0.000 . 2 . . . A 26 ARG HD3 . 17414 1 237 . 1 1 26 26 ARG CA C 13 55.119 0.021 . 1 . . . A 26 ARG CA . 17414 1 238 . 1 1 26 26 ARG CB C 13 26.620 0.033 . 1 . . . A 26 ARG CB . 17414 1 239 . 1 1 26 26 ARG CG C 13 26.349 0.455 . 1 . . . A 26 ARG CG . 17414 1 240 . 1 1 26 26 ARG CD C 13 42.475 0.000 . 1 . . . A 26 ARG CD . 17414 1 241 . 1 1 26 26 ARG N N 15 122.306 0.330 . 1 . . . A 26 ARG N . 17414 1 242 . 1 1 27 27 LYS H H 1 8.051 0.072 . 1 . . . A 27 LYS H . 17414 1 243 . 1 1 27 27 LYS HA H 1 4.168 0.027 . 1 . . . A 27 LYS HA . 17414 1 244 . 1 1 27 27 LYS HB2 H 1 1.573 0.015 . 2 . . . A 27 LYS HB2 . 17414 1 245 . 1 1 27 27 LYS HG2 H 1 1.492 0.004 . 2 . . . A 27 LYS HG2 . 17414 1 246 . 1 1 27 27 LYS HG3 H 1 1.371 0.026 . 2 . . . A 27 LYS HG3 . 17414 1 247 . 1 1 27 27 LYS HE2 H 1 2.817 0.024 . 2 . . . A 27 LYS HE2 . 17414 1 248 . 1 1 27 27 LYS CB C 13 33.503 0.000 . 1 . . . A 27 LYS CB . 17414 1 249 . 1 1 27 27 LYS N N 15 115.887 0.313 . 1 . . . A 27 LYS N . 17414 1 250 . 1 1 28 28 PRO HA H 1 5.145 0.021 . 1 . . . A 28 PRO HA . 17414 1 251 . 1 1 28 28 PRO HB2 H 1 2.464 0.002 . 2 . . . A 28 PRO HB2 . 17414 1 252 . 1 1 28 28 PRO HB3 H 1 2.054 0.021 . 2 . . . A 28 PRO HB3 . 17414 1 253 . 1 1 28 28 PRO HG2 H 1 2.046 0.000 . 2 . . . A 28 PRO HG2 . 17414 1 254 . 1 1 28 28 PRO HD2 H 1 4.025 0.000 . 2 . . . A 28 PRO HD2 . 17414 1 255 . 1 1 28 28 PRO HD3 H 1 3.668 0.010 . 2 . . . A 28 PRO HD3 . 17414 1 256 . 1 1 28 28 PRO CA C 13 61.507 0.037 . 1 . . . A 28 PRO CA . 17414 1 257 . 1 1 28 28 PRO CB C 13 27.787 0.491 . 1 . . . A 28 PRO CB . 17414 1 258 . 1 1 28 28 PRO CD C 13 50.325 0.072 . 1 . . . A 28 PRO CD . 17414 1 259 . 1 1 29 29 ILE H H 1 7.517 0.027 . 1 . . . A 29 ILE H . 17414 1 260 . 1 1 29 29 ILE HA H 1 4.443 0.035 . 1 . . . A 29 ILE HA . 17414 1 261 . 1 1 29 29 ILE HB H 1 2.394 0.016 . 1 . . . A 29 ILE HB . 17414 1 262 . 1 1 29 29 ILE HG12 H 1 1.015 0.036 . 2 . . . A 29 ILE HG12 . 17414 1 263 . 1 1 29 29 ILE HG13 H 1 0.612 0.015 . 2 . . . A 29 ILE HG13 . 17414 1 264 . 1 1 29 29 ILE HG21 H 1 0.404 0.000 . 1 . . . A 29 ILE HG21 . 17414 1 265 . 1 1 29 29 ILE HG22 H 1 0.404 0.000 . 1 . . . A 29 ILE HG22 . 17414 1 266 . 1 1 29 29 ILE HG23 H 1 0.404 0.000 . 1 . . . A 29 ILE HG23 . 17414 1 267 . 1 1 29 29 ILE HD11 H 1 0.690 0.000 . 1 . . . A 29 ILE HD11 . 17414 1 268 . 1 1 29 29 ILE HD12 H 1 0.690 0.000 . 1 . . . A 29 ILE HD12 . 17414 1 269 . 1 1 29 29 ILE HD13 H 1 0.690 0.000 . 1 . . . A 29 ILE HD13 . 17414 1 270 . 1 1 29 29 ILE CA C 13 60.723 0.048 . 1 . . . A 29 ILE CA . 17414 1 271 . 1 1 29 29 ILE CB C 13 38.563 0.011 . 1 . . . A 29 ILE CB . 17414 1 272 . 1 1 29 29 ILE CG1 C 13 24.608 0.332 . 1 . . . A 29 ILE CG1 . 17414 1 273 . 1 1 29 29 ILE CG2 C 13 17.148 0.012 . 1 . . . A 29 ILE CG2 . 17414 1 274 . 1 1 29 29 ILE N N 15 116.657 0.241 . 1 . . . A 29 ILE N . 17414 1 275 . 1 1 30 30 HIS H H 1 8.249 0.020 . 1 . . . A 30 HIS H . 17414 1 276 . 1 1 30 30 HIS HA H 1 5.152 0.022 . 1 . . . A 30 HIS HA . 17414 1 277 . 1 1 30 30 HIS HB2 H 1 3.378 0.025 . 2 . . . A 30 HIS HB2 . 17414 1 278 . 1 1 30 30 HIS HB3 H 1 2.748 0.021 . 2 . . . A 30 HIS HB3 . 17414 1 279 . 1 1 30 30 HIS HD2 H 1 6.389 0.003 . 1 . . . A 30 HIS HD2 . 17414 1 280 . 1 1 30 30 HIS CA C 13 55.902 0.029 . 1 . . . A 30 HIS CA . 17414 1 281 . 1 1 30 30 HIS CB C 13 30.925 0.043 . 1 . . . A 30 HIS CB . 17414 1 282 . 1 1 30 30 HIS N N 15 118.274 0.517 . 1 . . . A 30 HIS N . 17414 1 283 . 1 1 31 31 VAL H H 1 8.592 0.017 . 1 . . . A 31 VAL H . 17414 1 284 . 1 1 31 31 VAL HA H 1 5.212 0.033 . 1 . . . A 31 VAL HA . 17414 1 285 . 1 1 31 31 VAL HB H 1 2.541 0.019 . 1 . . . A 31 VAL HB . 17414 1 286 . 1 1 31 31 VAL HG11 H 1 0.823 0.022 . 2 . . . A 31 VAL HG11 . 17414 1 287 . 1 1 31 31 VAL HG12 H 1 0.823 0.022 . 2 . . . A 31 VAL HG12 . 17414 1 288 . 1 1 31 31 VAL HG13 H 1 0.823 0.022 . 2 . . . A 31 VAL HG13 . 17414 1 289 . 1 1 31 31 VAL HG21 H 1 0.701 0.001 . 2 . . . A 31 VAL HG21 . 17414 1 290 . 1 1 31 31 VAL HG22 H 1 0.701 0.001 . 2 . . . A 31 VAL HG22 . 17414 1 291 . 1 1 31 31 VAL HG23 H 1 0.701 0.001 . 2 . . . A 31 VAL HG23 . 17414 1 292 . 1 1 31 31 VAL CA C 13 57.692 0.063 . 1 . . . A 31 VAL CA . 17414 1 293 . 1 1 31 31 VAL CB C 13 34.153 0.015 . 1 . . . A 31 VAL CB . 17414 1 294 . 1 1 31 31 VAL CG2 C 13 21.549 0.000 . 2 . . . A 31 VAL CG2 . 17414 1 295 . 1 1 31 31 VAL N N 15 107.262 0.083 . 1 . . . A 31 VAL N . 17414 1 296 . 1 1 32 32 VAL H H 1 8.830 0.038 . 1 . . . A 32 VAL H . 17414 1 297 . 1 1 32 32 VAL HA H 1 4.246 0.033 . 1 . . . A 32 VAL HA . 17414 1 298 . 1 1 32 32 VAL HB H 1 2.115 0.026 . 1 . . . A 32 VAL HB . 17414 1 299 . 1 1 32 32 VAL HG11 H 1 1.066 0.022 . 2 . . . A 32 VAL HG11 . 17414 1 300 . 1 1 32 32 VAL HG12 H 1 1.066 0.022 . 2 . . . A 32 VAL HG12 . 17414 1 301 . 1 1 32 32 VAL HG13 H 1 1.066 0.022 . 2 . . . A 32 VAL HG13 . 17414 1 302 . 1 1 32 32 VAL HG21 H 1 0.909 0.021 . 2 . . . A 32 VAL HG21 . 17414 1 303 . 1 1 32 32 VAL HG22 H 1 0.909 0.021 . 2 . . . A 32 VAL HG22 . 17414 1 304 . 1 1 32 32 VAL HG23 H 1 0.909 0.021 . 2 . . . A 32 VAL HG23 . 17414 1 305 . 1 1 32 32 VAL CA C 13 62.504 0.035 . 1 . . . A 32 VAL CA . 17414 1 306 . 1 1 32 32 VAL CG1 C 13 24.399 0.013 . 1 . . . A 32 VAL CG1 . 17414 1 307 . 1 1 32 32 VAL N N 15 119.900 0.063 . 1 . . . A 32 VAL N . 17414 1 308 . 1 1 33 33 ALA H H 1 9.248 0.021 . 1 . . . A 33 ALA H . 17414 1 309 . 1 1 33 33 ALA HA H 1 4.522 0.026 . 1 . . . A 33 ALA HA . 17414 1 310 . 1 1 33 33 ALA HB1 H 1 1.227 0.038 . 1 . . . A 33 ALA HB1 . 17414 1 311 . 1 1 33 33 ALA HB2 H 1 1.227 0.038 . 1 . . . A 33 ALA HB2 . 17414 1 312 . 1 1 33 33 ALA HB3 H 1 1.227 0.038 . 1 . . . A 33 ALA HB3 . 17414 1 313 . 1 1 33 33 ALA CA C 13 49.594 0.070 . 1 . . . A 33 ALA CA . 17414 1 314 . 1 1 33 33 ALA CB C 13 23.635 0.000 . 1 . . . A 33 ALA CB . 17414 1 315 . 1 1 33 33 ALA N N 15 128.967 0.124 . 1 . . . A 33 ALA N . 17414 1 316 . 1 1 34 34 ALA H H 1 8.117 0.021 . 1 . . . A 34 ALA H . 17414 1 317 . 1 1 34 34 ALA HA H 1 5.207 0.027 . 1 . . . A 34 ALA HA . 17414 1 318 . 1 1 34 34 ALA HB1 H 1 1.120 0.024 . 1 . . . A 34 ALA HB1 . 17414 1 319 . 1 1 34 34 ALA HB2 H 1 1.120 0.024 . 1 . . . A 34 ALA HB2 . 17414 1 320 . 1 1 34 34 ALA HB3 H 1 1.120 0.024 . 1 . . . A 34 ALA HB3 . 17414 1 321 . 1 1 34 34 ALA CA C 13 49.704 0.078 . 1 . . . A 34 ALA CA . 17414 1 322 . 1 1 34 34 ALA N N 15 121.236 0.132 . 1 . . . A 34 ALA N . 17414 1 323 . 1 1 35 35 ALA H H 1 9.080 0.010 . 1 . . . A 35 ALA H . 17414 1 324 . 1 1 35 35 ALA HA H 1 4.633 0.029 . 1 . . . A 35 ALA HA . 17414 1 325 . 1 1 35 35 ALA HB1 H 1 1.578 0.022 . 1 . . . A 35 ALA HB1 . 17414 1 326 . 1 1 35 35 ALA HB2 H 1 1.578 0.022 . 1 . . . A 35 ALA HB2 . 17414 1 327 . 1 1 35 35 ALA HB3 H 1 1.578 0.022 . 1 . . . A 35 ALA HB3 . 17414 1 328 . 1 1 35 35 ALA CA C 13 50.168 0.063 . 1 . . . A 35 ALA CA . 17414 1 329 . 1 1 35 35 ALA CB C 13 20.121 0.032 . 1 . . . A 35 ALA CB . 17414 1 330 . 1 1 35 35 ALA N N 15 125.943 0.121 . 1 . . . A 35 ALA N . 17414 1 331 . 1 1 36 36 LYS H H 1 8.967 0.010 . 1 . . . A 36 LYS H . 17414 1 332 . 1 1 36 36 LYS HA H 1 4.272 0.185 . 1 . . . A 36 LYS HA . 17414 1 333 . 1 1 36 36 LYS HB2 H 1 1.919 0.023 . 2 . . . A 36 LYS HB2 . 17414 1 334 . 1 1 36 36 LYS HB3 H 1 1.582 0.017 . 2 . . . A 36 LYS HB3 . 17414 1 335 . 1 1 36 36 LYS HD2 H 1 1.771 0.000 . 1 . . . A 36 LYS HD2 . 17414 1 336 . 1 1 36 36 LYS CA C 13 58.723 0.067 . 1 . . . A 36 LYS CA . 17414 1 337 . 1 1 36 36 LYS N N 15 121.159 0.074 . 1 . . . A 36 LYS N . 17414 1 338 . 1 1 37 37 ASP H H 1 7.735 0.004 . 1 . . . A 37 ASP H . 17414 1 339 . 1 1 37 37 ASP HA H 1 4.526 0.020 . 1 . . . A 37 ASP HA . 17414 1 340 . 1 1 37 37 ASP HB2 H 1 3.104 0.018 . 2 . . . A 37 ASP HB2 . 17414 1 341 . 1 1 37 37 ASP HB3 H 1 2.587 0.027 . 2 . . . A 37 ASP HB3 . 17414 1 342 . 1 1 37 37 ASP CA C 13 52.534 0.034 . 1 . . . A 37 ASP CA . 17414 1 343 . 1 1 37 37 ASP CB C 13 39.654 0.157 . 1 . . . A 37 ASP CB . 17414 1 344 . 1 1 37 37 ASP N N 15 115.815 0.074 . 1 . . . A 37 ASP N . 17414 1 345 . 1 1 38 38 GLY H H 1 8.103 0.008 . 1 . . . A 38 GLY H . 17414 1 346 . 1 1 38 38 GLY HA2 H 1 4.190 0.033 . 2 . . . A 38 GLY HA2 . 17414 1 347 . 1 1 38 38 GLY HA3 H 1 3.391 0.020 . 2 . . . A 38 GLY HA3 . 17414 1 348 . 1 1 38 38 GLY CA C 13 45.025 0.119 . 1 . . . A 38 GLY CA . 17414 1 349 . 1 1 38 38 GLY N N 15 107.649 0.076 . 1 . . . A 38 GLY N . 17414 1 350 . 1 1 39 39 THR H H 1 7.670 0.013 . 1 . . . A 39 THR H . 17414 1 351 . 1 1 39 39 THR HA H 1 4.265 0.021 . 1 . . . A 39 THR HA . 17414 1 352 . 1 1 39 39 THR HB H 1 4.134 0.024 . 1 . . . A 39 THR HB . 17414 1 353 . 1 1 39 39 THR HG21 H 1 1.123 0.000 . 1 . . . A 39 THR HG21 . 17414 1 354 . 1 1 39 39 THR HG22 H 1 1.123 0.000 . 1 . . . A 39 THR HG22 . 17414 1 355 . 1 1 39 39 THR HG23 H 1 1.123 0.000 . 1 . . . A 39 THR HG23 . 17414 1 356 . 1 1 39 39 THR CA C 13 60.883 0.008 . 1 . . . A 39 THR CA . 17414 1 357 . 1 1 39 39 THR CB C 13 70.144 0.000 . 1 . . . A 39 THR CB . 17414 1 358 . 1 1 39 39 THR N N 15 110.428 0.171 . 1 . . . A 39 THR N . 17414 1 359 . 1 1 40 40 LEU H H 1 8.207 0.018 . 1 . . . A 40 LEU H . 17414 1 360 . 1 1 40 40 LEU HA H 1 5.312 0.030 . 1 . . . A 40 LEU HA . 17414 1 361 . 1 1 40 40 LEU HB2 H 1 1.676 0.026 . 2 . . . A 40 LEU HB2 . 17414 1 362 . 1 1 40 40 LEU HB3 H 1 1.111 0.021 . 2 . . . A 40 LEU HB3 . 17414 1 363 . 1 1 40 40 LEU HG H 1 1.608 0.011 . 1 . . . A 40 LEU HG . 17414 1 364 . 1 1 40 40 LEU HD11 H 1 0.686 0.067 . 2 . . . A 40 LEU HD11 . 17414 1 365 . 1 1 40 40 LEU HD12 H 1 0.686 0.067 . 2 . . . A 40 LEU HD12 . 17414 1 366 . 1 1 40 40 LEU HD13 H 1 0.686 0.067 . 2 . . . A 40 LEU HD13 . 17414 1 367 . 1 1 40 40 LEU HD21 H 1 0.538 0.018 . 2 . . . A 40 LEU HD21 . 17414 1 368 . 1 1 40 40 LEU HD22 H 1 0.538 0.018 . 2 . . . A 40 LEU HD22 . 17414 1 369 . 1 1 40 40 LEU HD23 H 1 0.538 0.018 . 2 . . . A 40 LEU HD23 . 17414 1 370 . 1 1 40 40 LEU CA C 13 53.146 0.010 . 1 . . . A 40 LEU CA . 17414 1 371 . 1 1 40 40 LEU CB C 13 41.870 0.032 . 1 . . . A 40 LEU CB . 17414 1 372 . 1 1 40 40 LEU CD1 C 13 21.564 0.018 . 2 . . . A 40 LEU CD1 . 17414 1 373 . 1 1 40 40 LEU CD2 C 13 21.938 0.000 . 2 . . . A 40 LEU CD2 . 17414 1 374 . 1 1 40 40 LEU N N 15 120.829 0.208 . 1 . . . A 40 LEU N . 17414 1 375 . 1 1 41 41 HIS H H 1 9.214 0.014 . 1 . . . A 41 HIS H . 17414 1 376 . 1 1 41 41 HIS HA H 1 4.622 0.022 . 1 . . . A 41 HIS HA . 17414 1 377 . 1 1 41 41 HIS HB2 H 1 3.138 0.015 . 2 . . . A 41 HIS HB2 . 17414 1 378 . 1 1 41 41 HIS HB3 H 1 2.317 0.025 . 2 . . . A 41 HIS HB3 . 17414 1 379 . 1 1 41 41 HIS HD2 H 1 6.708 0.023 . 1 . . . A 41 HIS HD2 . 17414 1 380 . 1 1 41 41 HIS CA C 13 54.675 0.045 . 1 . . . A 41 HIS CA . 17414 1 381 . 1 1 41 41 HIS CB C 13 35.374 0.017 . 1 . . . A 41 HIS CB . 17414 1 382 . 1 1 41 41 HIS N N 15 120.175 0.174 . 1 . . . A 41 HIS N . 17414 1 383 . 1 1 42 42 ALA H H 1 9.083 0.019 . 1 . . . A 42 ALA H . 17414 1 384 . 1 1 42 42 ALA HA H 1 5.530 0.027 . 1 . . . A 42 ALA HA . 17414 1 385 . 1 1 42 42 ALA HB1 H 1 1.261 0.023 . 1 . . . A 42 ALA HB1 . 17414 1 386 . 1 1 42 42 ALA HB2 H 1 1.261 0.023 . 1 . . . A 42 ALA HB2 . 17414 1 387 . 1 1 42 42 ALA HB3 H 1 1.261 0.023 . 1 . . . A 42 ALA HB3 . 17414 1 388 . 1 1 42 42 ALA CA C 13 50.934 0.044 . 1 . . . A 42 ALA CA . 17414 1 389 . 1 1 42 42 ALA CB C 13 18.920 0.077 . 1 . . . A 42 ALA CB . 17414 1 390 . 1 1 42 42 ALA N N 15 125.084 0.157 . 1 . . . A 42 ALA N . 17414 1 391 . 1 1 43 43 ARG H H 1 8.992 0.025 . 1 . . . A 43 ARG H . 17414 1 392 . 1 1 43 43 ARG HA H 1 5.177 0.025 . 1 . . . A 43 ARG HA . 17414 1 393 . 1 1 43 43 ARG HB2 H 1 1.926 0.040 . 2 . . . A 43 ARG HB2 . 17414 1 394 . 1 1 43 43 ARG HB3 H 1 1.553 0.037 . 2 . . . A 43 ARG HB3 . 17414 1 395 . 1 1 43 43 ARG HG2 H 1 1.53 0.016 . 2 . . . A 43 ARG HG2 . 17414 1 396 . 1 1 43 43 ARG HD2 H 1 3.772 0.004 . 2 . . . A 43 ARG HD2 . 17414 1 397 . 1 1 43 43 ARG HD3 H 1 3.260 0.064 . 2 . . . A 43 ARG HD3 . 17414 1 398 . 1 1 43 43 ARG CA C 13 50.736 0.090 . 1 . . . A 43 ARG CA . 17414 1 399 . 1 1 43 43 ARG CB C 13 35.105 0.373 . 1 . . . A 43 ARG CB . 17414 1 400 . 1 1 43 43 ARG N N 15 124.440 0.194 . 1 . . . A 43 ARG N . 17414 1 401 . 1 1 44 44 PRO HA H 1 4.506 0.020 . 1 . . . A 44 PRO HA . 17414 1 402 . 1 1 44 44 PRO HB2 H 1 1.992 0.036 . 2 . . . A 44 PRO HB2 . 17414 1 403 . 1 1 44 44 PRO HB3 H 1 1.538 0.014 . 2 . . . A 44 PRO HB3 . 17414 1 404 . 1 1 44 44 PRO HD2 H 1 3.783 0.006 . 2 . . . A 44 PRO HD2 . 17414 1 405 . 1 1 44 44 PRO HD3 H 1 3.663 0.009 . 2 . . . A 44 PRO HD3 . 17414 1 406 . 1 1 44 44 PRO CA C 13 61.661 0.071 . 1 . . . A 44 PRO CA . 17414 1 407 . 1 1 44 44 PRO CB C 13 32.437 0.000 . 1 . . . A 44 PRO CB . 17414 1 408 . 1 1 45 45 VAL H H 1 7.756 0.027 . 1 . . . A 45 VAL H . 17414 1 409 . 1 1 45 45 VAL HA H 1 4.195 0.033 . 1 . . . A 45 VAL HA . 17414 1 410 . 1 1 45 45 VAL HB H 1 1.762 0.027 . 1 . . . A 45 VAL HB . 17414 1 411 . 1 1 45 45 VAL HG11 H 1 0.775 0.024 . 2 . . . A 45 VAL HG11 . 17414 1 412 . 1 1 45 45 VAL HG12 H 1 0.775 0.024 . 2 . . . A 45 VAL HG12 . 17414 1 413 . 1 1 45 45 VAL HG13 H 1 0.775 0.024 . 2 . . . A 45 VAL HG13 . 17414 1 414 . 1 1 45 45 VAL HG21 H 1 0.374 0.034 . 2 . . . A 45 VAL HG21 . 17414 1 415 . 1 1 45 45 VAL HG22 H 1 0.374 0.034 . 2 . . . A 45 VAL HG22 . 17414 1 416 . 1 1 45 45 VAL HG23 H 1 0.374 0.034 . 2 . . . A 45 VAL HG23 . 17414 1 417 . 1 1 45 45 VAL CA C 13 61.770 0.034 . 1 . . . A 45 VAL CA . 17414 1 418 . 1 1 45 45 VAL CB C 13 32.099 0.033 . 1 . . . A 45 VAL CB . 17414 1 419 . 1 1 45 45 VAL CG1 C 13 24.144 0.000 . 2 . . . A 45 VAL CG1 . 17414 1 420 . 1 1 45 45 VAL CG2 C 13 22.621 0.000 . 2 . . . A 45 VAL CG2 . 17414 1 421 . 1 1 45 45 VAL N N 15 119.113 0.150 . 1 . . . A 45 VAL N . 17414 1 422 . 1 1 46 46 VAL H H 1 8.184 0.014 . 1 . . . A 46 VAL H . 17414 1 423 . 1 1 46 46 VAL HA H 1 4.117 0.027 . 1 . . . A 46 VAL HA . 17414 1 424 . 1 1 46 46 VAL HB H 1 2.164 0.008 . 1 . . . A 46 VAL HB . 17414 1 425 . 1 1 46 46 VAL HG11 H 1 0.720 0.018 . 2 . . . A 46 VAL HG11 . 17414 1 426 . 1 1 46 46 VAL HG12 H 1 0.720 0.018 . 2 . . . A 46 VAL HG12 . 17414 1 427 . 1 1 46 46 VAL HG13 H 1 0.720 0.018 . 2 . . . A 46 VAL HG13 . 17414 1 428 . 1 1 46 46 VAL HG21 H 1 0.450 0.031 . 2 . . . A 46 VAL HG21 . 17414 1 429 . 1 1 46 46 VAL HG22 H 1 0.450 0.031 . 2 . . . A 46 VAL HG22 . 17414 1 430 . 1 1 46 46 VAL HG23 H 1 0.450 0.031 . 2 . . . A 46 VAL HG23 . 17414 1 431 . 1 1 46 46 VAL CA C 13 59.689 0.025 . 1 . . . A 46 VAL CA . 17414 1 432 . 1 1 46 46 VAL CB C 13 33.207 0.061 . 1 . . . A 46 VAL CB . 17414 1 433 . 1 1 46 46 VAL N N 15 114.811 0.276 . 1 . . . A 46 VAL N . 17414 1 434 . 1 1 47 47 SER H H 1 6.458 0.024 . 1 . . . A 47 SER H . 17414 1 435 . 1 1 47 47 SER HA H 1 3.992 0.061 . 1 . . . A 47 SER HA . 17414 1 436 . 1 1 47 47 SER HB2 H 1 3.228 0.029 . 2 . . . A 47 SER HB2 . 17414 1 437 . 1 1 47 47 SER CA C 13 56.916 0.024 . 1 . . . A 47 SER CA . 17414 1 438 . 1 1 47 47 SER CB C 13 65.285 0.000 . 1 . . . A 47 SER CB . 17414 1 439 . 1 1 47 47 SER N N 15 113.271 0.072 . 1 . . . A 47 SER N . 17414 1 440 . 1 1 48 48 TRP H H 1 7.624 0.027 . 1 . . . A 48 TRP H . 17414 1 441 . 1 1 48 48 TRP HA H 1 4.518 0.026 . 1 . . . A 48 TRP HA . 17414 1 442 . 1 1 48 48 TRP HB2 H 1 3.129 0.048 . 2 . . . A 48 TRP HB2 . 17414 1 443 . 1 1 48 48 TRP HB3 H 1 3.129 0.048 . 2 . . . A 48 TRP HB3 . 17414 1 444 . 1 1 48 48 TRP HD1 H 1 6.607 0.018 . 1 . . . A 48 TRP HD1 . 17414 1 445 . 1 1 48 48 TRP HE1 H 1 9.215 0.007 . 1 . . . A 48 TRP HE1 . 17414 1 446 . 1 1 48 48 TRP HE3 H 1 6.967 0.000 . 1 . . . A 48 TRP HE3 . 17414 1 447 . 1 1 48 48 TRP HZ2 H 1 6.640 0.022 . 1 . . . A 48 TRP HZ2 . 17414 1 448 . 1 1 48 48 TRP HZ3 H 1 7.551 0.000 . 1 . . . A 48 TRP HZ3 . 17414 1 449 . 1 1 48 48 TRP HH2 H 1 6.964 0.019 . 1 . . . A 48 TRP HH2 . 17414 1 450 . 1 1 48 48 TRP CA C 13 58.275 0.160 . 1 . . . A 48 TRP CA . 17414 1 451 . 1 1 48 48 TRP CB C 13 32.474 0.000 . 1 . . . A 48 TRP CB . 17414 1 452 . 1 1 48 48 TRP N N 15 120.998 0.294 . 1 . . . A 48 TRP N . 17414 1 453 . 1 1 48 48 TRP NE1 N 15 128.542 0.167 . 1 . . . A 48 TRP NE1 . 17414 1 454 . 1 1 49 49 PHE H H 1 8.827 0.065 . 1 . . . A 49 PHE H . 17414 1 455 . 1 1 49 49 PHE HA H 1 5.159 0.038 . 1 . . . A 49 PHE HA . 17414 1 456 . 1 1 49 49 PHE HB2 H 1 3.036 0.046 . 2 . . . A 49 PHE HB2 . 17414 1 457 . 1 1 49 49 PHE HB3 H 1 2.618 0.113 . 2 . . . A 49 PHE HB3 . 17414 1 458 . 1 1 49 49 PHE HD1 H 1 6.954 0.033 . 1 . . . A 49 PHE HD1 . 17414 1 459 . 1 1 49 49 PHE HD2 H 1 6.954 0.033 . 1 . . . A 49 PHE HD2 . 17414 1 460 . 1 1 49 49 PHE CA C 13 55.741 0.056 . 1 . . . A 49 PHE CA . 17414 1 461 . 1 1 49 49 PHE CB C 13 40.992 0.179 . 1 . . . A 49 PHE CB . 17414 1 462 . 1 1 49 49 PHE N N 15 120.098 0.286 . 1 . . . A 49 PHE N . 17414 1 463 . 1 1 50 50 ASP H H 1 9.052 0.015 . 1 . . . A 50 ASP H . 17414 1 464 . 1 1 50 50 ASP HA H 1 4.829 0.048 . 1 . . . A 50 ASP HA . 17414 1 465 . 1 1 50 50 ASP HB2 H 1 3.085 0.020 . 2 . . . A 50 ASP HB2 . 17414 1 466 . 1 1 50 50 ASP HB3 H 1 2.540 0.025 . 2 . . . A 50 ASP HB3 . 17414 1 467 . 1 1 50 50 ASP CA C 13 53.464 0.099 . 1 . . . A 50 ASP CA . 17414 1 468 . 1 1 50 50 ASP CB C 13 40.713 0.000 . 1 . . . A 50 ASP CB . 17414 1 469 . 1 1 50 50 ASP N N 15 127.259 0.231 . 1 . . . A 50 ASP N . 17414 1 470 . 1 1 51 51 GLN H H 1 8.141 0.156 . 1 . . . A 51 GLN H . 17414 1 471 . 1 1 51 51 GLN HA H 1 4.902 0.177 . 1 . . . A 51 GLN HA . 17414 1 472 . 1 1 51 51 GLN HB2 H 1 1.625 0.036 . 2 . . . A 51 GLN HB2 . 17414 1 473 . 1 1 51 51 GLN HB3 H 1 1.543 0.015 . 2 . . . A 51 GLN HB3 . 17414 1 474 . 1 1 51 51 GLN HG2 H 1 2.186 0.029 . 2 . . . A 51 GLN HG2 . 17414 1 475 . 1 1 51 51 GLN HG3 H 1 1.984 0.033 . 2 . . . A 51 GLN HG3 . 17414 1 476 . 1 1 51 51 GLN HE21 H 1 6.803 0.582 . 2 . . . A 51 GLN HE21 . 17414 1 477 . 1 1 51 51 GLN HE22 H 1 6.919 0.935 . 2 . . . A 51 GLN HE22 . 17414 1 478 . 1 1 51 51 GLN CA C 13 55.613 0.000 . 1 . . . A 51 GLN CA . 17414 1 479 . 1 1 51 51 GLN N N 15 123.758 0.357 . 1 . . . A 51 GLN N . 17414 1 480 . 1 1 51 51 GLN NE2 N 15 111.628 1.567 . 1 . . . A 51 GLN NE2 . 17414 1 481 . 1 1 52 52 GLY H H 1 8.120 0.132 . 1 . . . A 52 GLY H . 17414 1 482 . 1 1 52 52 GLY HA2 H 1 4.133 0.020 . 2 . . . A 52 GLY HA2 . 17414 1 483 . 1 1 52 52 GLY HA3 H 1 3.848 0.024 . 2 . . . A 52 GLY HA3 . 17414 1 484 . 1 1 52 52 GLY CA C 13 44.063 0.019 . 1 . . . A 52 GLY CA . 17414 1 485 . 1 1 52 52 GLY N N 15 108.682 0.288 . 1 . . . A 52 GLY N . 17414 1 486 . 1 1 53 53 THR H H 1 8.579 0.017 . 1 . . . A 53 THR H . 17414 1 487 . 1 1 53 53 THR HA H 1 4.734 0.014 . 1 . . . A 53 THR HA . 17414 1 488 . 1 1 53 53 THR HB H 1 3.856 0.026 . 1 . . . A 53 THR HB . 17414 1 489 . 1 1 53 53 THR HG21 H 1 0.929 0.025 . 1 . . . A 53 THR HG21 . 17414 1 490 . 1 1 53 53 THR HG22 H 1 0.929 0.025 . 1 . . . A 53 THR HG22 . 17414 1 491 . 1 1 53 53 THR HG23 H 1 0.929 0.025 . 1 . . . A 53 THR HG23 . 17414 1 492 . 1 1 53 53 THR CA C 13 62.734 0.053 . 1 . . . A 53 THR CA . 17414 1 493 . 1 1 53 53 THR CB C 13 67.881 0.010 . 1 . . . A 53 THR CB . 17414 1 494 . 1 1 53 53 THR N N 15 118.925 0.224 . 1 . . . A 53 THR N . 17414 1 495 . 1 1 54 54 ARG H H 1 8.815 0.033 . 1 . . . A 54 ARG H . 17414 1 496 . 1 1 54 54 ARG HA H 1 4.677 0.032 . 1 . . . A 54 ARG HA . 17414 1 497 . 1 1 54 54 ARG HB2 H 1 2.023 0.020 . 2 . . . A 54 ARG HB2 . 17414 1 498 . 1 1 54 54 ARG HB3 H 1 1.308 0.032 . 2 . . . A 54 ARG HB3 . 17414 1 499 . 1 1 54 54 ARG HG2 H 1 1.512 0.021 . 2 . . . A 54 ARG HG2 . 17414 1 500 . 1 1 54 54 ARG HD2 H 1 3.259 0.000 . 2 . . . A 54 ARG HD2 . 17414 1 501 . 1 1 54 54 ARG HD3 H 1 3.037 0.000 . 2 . . . A 54 ARG HD3 . 17414 1 502 . 1 1 54 54 ARG CA C 13 53.580 0.093 . 1 . . . A 54 ARG CA . 17414 1 503 . 1 1 54 54 ARG CB C 13 35.619 0.049 . 1 . . . A 54 ARG CB . 17414 1 504 . 1 1 54 54 ARG N N 15 125.981 0.064 . 1 . . . A 54 ARG N . 17414 1 505 . 1 1 55 55 ASP H H 1 7.981 0.013 . 1 . . . A 55 ASP H . 17414 1 506 . 1 1 55 55 ASP HA H 1 4.973 0.025 . 1 . . . A 55 ASP HA . 17414 1 507 . 1 1 55 55 ASP HB2 H 1 2.485 0.044 . 2 . . . A 55 ASP HB2 . 17414 1 508 . 1 1 55 55 ASP HB3 H 1 2.403 0.042 . 2 . . . A 55 ASP HB3 . 17414 1 509 . 1 1 55 55 ASP CA C 13 54.236 0.039 . 1 . . . A 55 ASP CA . 17414 1 510 . 1 1 55 55 ASP CB C 13 40.704 0.040 . 1 . . . A 55 ASP CB . 17414 1 511 . 1 1 55 55 ASP N N 15 119.621 0.081 . 1 . . . A 55 ASP N . 17414 1 512 . 1 1 56 56 VAL H H 1 9.459 0.015 . 1 . . . A 56 VAL H . 17414 1 513 . 1 1 56 56 VAL HA H 1 4.804 0.030 . 1 . . . A 56 VAL HA . 17414 1 514 . 1 1 56 56 VAL HB H 1 2.158 0.025 . 1 . . . A 56 VAL HB . 17414 1 515 . 1 1 56 56 VAL HG11 H 1 0.786 0.012 . 2 . . . A 56 VAL HG11 . 17414 1 516 . 1 1 56 56 VAL HG12 H 1 0.786 0.012 . 2 . . . A 56 VAL HG12 . 17414 1 517 . 1 1 56 56 VAL HG13 H 1 0.786 0.012 . 2 . . . A 56 VAL HG13 . 17414 1 518 . 1 1 56 56 VAL HG21 H 1 0.730 0.022 . 2 . . . A 56 VAL HG21 . 17414 1 519 . 1 1 56 56 VAL HG22 H 1 0.730 0.022 . 2 . . . A 56 VAL HG22 . 17414 1 520 . 1 1 56 56 VAL HG23 H 1 0.730 0.022 . 2 . . . A 56 VAL HG23 . 17414 1 521 . 1 1 56 56 VAL CA C 13 58.672 0.080 . 1 . . . A 56 VAL CA . 17414 1 522 . 1 1 56 56 VAL CB C 13 34.813 0.000 . 1 . . . A 56 VAL CB . 17414 1 523 . 1 1 56 56 VAL CG1 C 13 18.716 0.053 . 2 . . . A 56 VAL CG1 . 17414 1 524 . 1 1 56 56 VAL N N 15 114.565 0.163 . 1 . . . A 56 VAL N . 17414 1 525 . 1 1 57 57 ILE H H 1 8.915 0.014 . 1 . . . A 57 ILE H . 17414 1 526 . 1 1 57 57 ILE HA H 1 4.740 0.025 . 1 . . . A 57 ILE HA . 17414 1 527 . 1 1 57 57 ILE HB H 1 1.909 0.018 . 1 . . . A 57 ILE HB . 17414 1 528 . 1 1 57 57 ILE HG12 H 1 1.414 0.054 . 2 . . . A 57 ILE HG12 . 17414 1 529 . 1 1 57 57 ILE HG13 H 1 1.022 0.018 . 2 . . . A 57 ILE HG13 . 17414 1 530 . 1 1 57 57 ILE HG21 H 1 1.004 0.012 . 1 . . . A 57 ILE HG21 . 17414 1 531 . 1 1 57 57 ILE HG22 H 1 1.004 0.012 . 1 . . . A 57 ILE HG22 . 17414 1 532 . 1 1 57 57 ILE HG23 H 1 1.004 0.012 . 1 . . . A 57 ILE HG23 . 17414 1 533 . 1 1 57 57 ILE HD11 H 1 0.785 0.017 . 1 . . . A 57 ILE HD11 . 17414 1 534 . 1 1 57 57 ILE HD12 H 1 0.785 0.017 . 1 . . . A 57 ILE HD12 . 17414 1 535 . 1 1 57 57 ILE HD13 H 1 0.785 0.017 . 1 . . . A 57 ILE HD13 . 17414 1 536 . 1 1 57 57 ILE CA C 13 58.799 0.059 . 1 . . . A 57 ILE CA . 17414 1 537 . 1 1 57 57 ILE CB C 13 41.197 0.025 . 1 . . . A 57 ILE CB . 17414 1 538 . 1 1 57 57 ILE CG1 C 13 24.298 0.000 . 1 . . . A 57 ILE CG1 . 17414 1 539 . 1 1 57 57 ILE CG2 C 13 20.047 0.229 . 1 . . . A 57 ILE CG2 . 17414 1 540 . 1 1 57 57 ILE N N 15 114.855 0.097 . 1 . . . A 57 ILE N . 17414 1 541 . 1 1 58 58 GLY H H 1 6.715 0.023 . 1 . . . A 58 GLY H . 17414 1 542 . 1 1 58 58 GLY HA2 H 1 4.389 0.022 . 2 . . . A 58 GLY HA2 . 17414 1 543 . 1 1 58 58 GLY HA3 H 1 1.257 0.030 . 2 . . . A 58 GLY HA3 . 17414 1 544 . 1 1 58 58 GLY CA C 13 43.036 0.081 . 1 . . . A 58 GLY CA . 17414 1 545 . 1 1 58 58 GLY N N 15 107.378 0.102 . 1 . . . A 58 GLY N . 17414 1 546 . 1 1 59 59 LEU H H 1 8.813 0.036 . 1 . . . A 59 LEU H . 17414 1 547 . 1 1 59 59 LEU HA H 1 4.677 0.024 . 1 . . . A 59 LEU HA . 17414 1 548 . 1 1 59 59 LEU HB2 H 1 1.918 0.023 . 2 . . . A 59 LEU HB2 . 17414 1 549 . 1 1 59 59 LEU HB3 H 1 1.014 0.003 . 2 . . . A 59 LEU HB3 . 17414 1 550 . 1 1 59 59 LEU HG H 1 1.605 0.028 . 1 . . . A 59 LEU HG . 17414 1 551 . 1 1 59 59 LEU HD11 H 1 0.896 0.012 . 1 . . . A 59 LEU HD11 . 17414 1 552 . 1 1 59 59 LEU HD12 H 1 0.896 0.012 . 1 . . . A 59 LEU HD12 . 17414 1 553 . 1 1 59 59 LEU HD13 H 1 0.896 0.012 . 1 . . . A 59 LEU HD13 . 17414 1 554 . 1 1 59 59 LEU CA C 13 52.282 0.274 . 1 . . . A 59 LEU CA . 17414 1 555 . 1 1 59 59 LEU CB C 13 42.668 0.068 . 1 . . . A 59 LEU CB . 17414 1 556 . 1 1 59 59 LEU N N 15 124.061 0.197 . 1 . . . A 59 LEU N . 17414 1 557 . 1 1 60 60 ARG H H 1 8.619 0.015 . 1 . . . A 60 ARG H . 17414 1 558 . 1 1 60 60 ARG HA H 1 4.799 0.047 . 1 . . . A 60 ARG HA . 17414 1 559 . 1 1 60 60 ARG HB2 H 1 1.910 0.014 . 2 . . . A 60 ARG HB2 . 17414 1 560 . 1 1 60 60 ARG HB3 H 1 1.227 0.008 . 2 . . . A 60 ARG HB3 . 17414 1 561 . 1 1 60 60 ARG HG2 H 1 1.382 0.005 . 2 . . . A 60 ARG HG2 . 17414 1 562 . 1 1 60 60 ARG HG3 H 1 1.184 0.003 . 2 . . . A 60 ARG HG3 . 17414 1 563 . 1 1 60 60 ARG N N 15 124.178 0.140 . 1 . . . A 60 ARG N . 17414 1 564 . 1 1 61 61 ILE H H 1 8.906 0.044 . 1 . . . A 61 ILE H . 17414 1 565 . 1 1 61 61 ILE HA H 1 4.492 0.026 . 1 . . . A 61 ILE HA . 17414 1 566 . 1 1 61 61 ILE HB H 1 1.946 0.024 . 1 . . . A 61 ILE HB . 17414 1 567 . 1 1 61 61 ILE HG12 H 1 1.361 0.049 . 2 . . . A 61 ILE HG12 . 17414 1 568 . 1 1 61 61 ILE HG13 H 1 1.220 0.005 . 2 . . . A 61 ILE HG13 . 17414 1 569 . 1 1 61 61 ILE HG21 H 1 0.829 0.017 . 1 . . . A 61 ILE HG21 . 17414 1 570 . 1 1 61 61 ILE HG22 H 1 0.829 0.017 . 1 . . . A 61 ILE HG22 . 17414 1 571 . 1 1 61 61 ILE HG23 H 1 0.829 0.017 . 1 . . . A 61 ILE HG23 . 17414 1 572 . 1 1 61 61 ILE HD11 H 1 0.585 0.009 . 1 . . . A 61 ILE HD11 . 17414 1 573 . 1 1 61 61 ILE HD12 H 1 0.585 0.009 . 1 . . . A 61 ILE HD12 . 17414 1 574 . 1 1 61 61 ILE HD13 H 1 0.585 0.009 . 1 . . . A 61 ILE HD13 . 17414 1 575 . 1 1 61 61 ILE CA C 13 58.741 0.031 . 1 . . . A 61 ILE CA . 17414 1 576 . 1 1 61 61 ILE CB C 13 37.622 0.588 . 1 . . . A 61 ILE CB . 17414 1 577 . 1 1 61 61 ILE N N 15 128.222 0.107 . 1 . . . A 61 ILE N . 17414 1 578 . 1 1 62 62 ALA H H 1 8.500 0.019 . 1 . . . A 62 ALA H . 17414 1 579 . 1 1 62 62 ALA HA H 1 4.108 0.025 . 1 . . . A 62 ALA HA . 17414 1 580 . 1 1 62 62 ALA HB1 H 1 1.465 0.024 . 1 . . . A 62 ALA HB1 . 17414 1 581 . 1 1 62 62 ALA HB2 H 1 1.465 0.024 . 1 . . . A 62 ALA HB2 . 17414 1 582 . 1 1 62 62 ALA HB3 H 1 1.465 0.024 . 1 . . . A 62 ALA HB3 . 17414 1 583 . 1 1 62 62 ALA CA C 13 54.129 0.025 . 1 . . . A 62 ALA CA . 17414 1 584 . 1 1 62 62 ALA CB C 13 18.002 0.000 . 1 . . . A 62 ALA CB . 17414 1 585 . 1 1 62 62 ALA N N 15 128.005 0.119 . 1 . . . A 62 ALA N . 17414 1 586 . 1 1 63 63 GLY HA2 H 1 4.303 0.010 . 2 . . . A 63 GLY HA2 . 17414 1 587 . 1 1 63 63 GLY HA3 H 1 3.766 0.005 . 2 . . . A 63 GLY HA3 . 17414 1 588 . 1 1 63 63 GLY CA C 13 44.912 0.019 . 1 . . . A 63 GLY CA . 17414 1 589 . 1 1 64 64 GLY H H 1 8.165 0.006 . 1 . . . A 64 GLY H . 17414 1 590 . 1 1 64 64 GLY HA2 H 1 4.223 0.018 . 2 . . . A 64 GLY HA2 . 17414 1 591 . 1 1 64 64 GLY HA3 H 1 3.790 0.032 . 1 . . . A 64 GLY HA3 . 17414 1 592 . 1 1 64 64 GLY CA C 13 44.751 0.005 . 1 . . . A 64 GLY CA . 17414 1 593 . 1 1 64 64 GLY N N 15 107.906 0.119 . 1 . . . A 64 GLY N . 17414 1 594 . 1 1 65 65 ALA H H 1 7.969 0.011 . 1 . . . A 65 ALA H . 17414 1 595 . 1 1 65 65 ALA HA H 1 4.394 0.034 . 1 . . . A 65 ALA HA . 17414 1 596 . 1 1 65 65 ALA HB1 H 1 1.411 0.026 . 1 . . . A 65 ALA HB1 . 17414 1 597 . 1 1 65 65 ALA HB2 H 1 1.411 0.026 . 1 . . . A 65 ALA HB2 . 17414 1 598 . 1 1 65 65 ALA HB3 H 1 1.411 0.026 . 1 . . . A 65 ALA HB3 . 17414 1 599 . 1 1 65 65 ALA CA C 13 51.764 0.000 . 1 . . . A 65 ALA CA . 17414 1 600 . 1 1 65 65 ALA CB C 13 19.458 0.049 . 1 . . . A 65 ALA CB . 17414 1 601 . 1 1 65 65 ALA N N 15 125.759 0.133 . 1 . . . A 65 ALA N . 17414 1 602 . 1 1 66 66 ILE H H 1 7.975 0.028 . 1 . . . A 66 ILE H . 17414 1 603 . 1 1 66 66 ILE HA H 1 4.705 0.060 . 1 . . . A 66 ILE HA . 17414 1 604 . 1 1 66 66 ILE HB H 1 1.463 0.032 . 1 . . . A 66 ILE HB . 17414 1 605 . 1 1 66 66 ILE HG12 H 1 1.588 0.020 . 2 . . . A 66 ILE HG12 . 17414 1 606 . 1 1 66 66 ILE HG13 H 1 0.364 0.022 . 2 . . . A 66 ILE HG13 . 17414 1 607 . 1 1 66 66 ILE HG21 H 1 -0.056 0.538 . 1 . . . A 66 ILE HG21 . 17414 1 608 . 1 1 66 66 ILE HG22 H 1 -0.056 0.538 . 1 . . . A 66 ILE HG22 . 17414 1 609 . 1 1 66 66 ILE HG23 H 1 -0.056 0.538 . 1 . . . A 66 ILE HG23 . 17414 1 610 . 1 1 66 66 ILE HD11 H 1 0.824 0.000 . 1 . . . A 66 ILE HD11 . 17414 1 611 . 1 1 66 66 ILE HD12 H 1 0.824 0.000 . 1 . . . A 66 ILE HD12 . 17414 1 612 . 1 1 66 66 ILE HD13 H 1 0.824 0.000 . 1 . . . A 66 ILE HD13 . 17414 1 613 . 1 1 66 66 ILE CA C 13 59.670 0.047 . 1 . . . A 66 ILE CA . 17414 1 614 . 1 1 66 66 ILE CB C 13 40.415 0.000 . 1 . . . A 66 ILE CB . 17414 1 615 . 1 1 66 66 ILE N N 15 118.136 0.179 . 1 . . . A 66 ILE N . 17414 1 616 . 1 1 67 67 LEU H H 1 8.206 0.017 . 1 . . . A 67 LEU H . 17414 1 617 . 1 1 67 67 LEU HA H 1 4.728 0.017 . 1 . . . A 67 LEU HA . 17414 1 618 . 1 1 67 67 LEU HB2 H 1 1.761 0.027 . 2 . . . A 67 LEU HB2 . 17414 1 619 . 1 1 67 67 LEU HB3 H 1 1.200 0.016 . 2 . . . A 67 LEU HB3 . 17414 1 620 . 1 1 67 67 LEU HG H 1 1.373 0.005 . 1 . . . A 67 LEU HG . 17414 1 621 . 1 1 67 67 LEU HD11 H 1 0.808 0.000 . 2 . . . A 67 LEU HD11 . 17414 1 622 . 1 1 67 67 LEU HD12 H 1 0.808 0.000 . 2 . . . A 67 LEU HD12 . 17414 1 623 . 1 1 67 67 LEU HD13 H 1 0.808 0.000 . 2 . . . A 67 LEU HD13 . 17414 1 624 . 1 1 67 67 LEU HD21 H 1 0.941 0.021 . 2 . . . A 67 LEU HD21 . 17414 1 625 . 1 1 67 67 LEU HD22 H 1 0.941 0.021 . 2 . . . A 67 LEU HD22 . 17414 1 626 . 1 1 67 67 LEU HD23 H 1 0.941 0.021 . 2 . . . A 67 LEU HD23 . 17414 1 627 . 1 1 67 67 LEU CA C 13 53.331 0.000 . 1 . . . A 67 LEU CA . 17414 1 628 . 1 1 67 67 LEU CB C 13 44.102 0.081 . 1 . . . A 67 LEU CB . 17414 1 629 . 1 1 67 67 LEU N N 15 127.715 0.095 . 1 . . . A 67 LEU N . 17414 1 630 . 1 1 68 68 TRP H H 1 9.984 0.054 . 1 . . . A 68 TRP H . 17414 1 631 . 1 1 68 68 TRP HA H 1 5.672 0.027 . 1 . . . A 68 TRP HA . 17414 1 632 . 1 1 68 68 TRP HB2 H 1 3.272 0.024 . 2 . . . A 68 TRP HB2 . 17414 1 633 . 1 1 68 68 TRP HB3 H 1 2.547 0.004 . 2 . . . A 68 TRP HB3 . 17414 1 634 . 1 1 68 68 TRP HD1 H 1 7.220 0.022 . 1 . . . A 68 TRP HD1 . 17414 1 635 . 1 1 68 68 TRP HE1 H 1 10.353 0.007 . 1 . . . A 68 TRP HE1 . 17414 1 636 . 1 1 68 68 TRP HZ2 H 1 7.462 0.022 . 1 . . . A 68 TRP HZ2 . 17414 1 637 . 1 1 68 68 TRP HZ3 H 1 7.225 0.018 . 1 . . . A 68 TRP HZ3 . 17414 1 638 . 1 1 68 68 TRP HH2 H 1 7.305 0.011 . 1 . . . A 68 TRP HH2 . 17414 1 639 . 1 1 68 68 TRP CA C 13 54.812 0.032 . 1 . . . A 68 TRP CA . 17414 1 640 . 1 1 68 68 TRP CB C 13 29.742 0.075 . 1 . . . A 68 TRP CB . 17414 1 641 . 1 1 68 68 TRP N N 15 129.332 0.176 . 1 . . . A 68 TRP N . 17414 1 642 . 1 1 68 68 TRP NE1 N 15 131.515 0.082 . 1 . . . A 68 TRP NE1 . 17414 1 643 . 1 1 69 69 ALA H H 1 8.804 0.033 . 1 . . . A 69 ALA H . 17414 1 644 . 1 1 69 69 ALA HA H 1 5.243 0.021 . 1 . . . A 69 ALA HA . 17414 1 645 . 1 1 69 69 ALA HB1 H 1 1.194 0.025 . 1 . . . A 69 ALA HB1 . 17414 1 646 . 1 1 69 69 ALA HB2 H 1 1.194 0.025 . 1 . . . A 69 ALA HB2 . 17414 1 647 . 1 1 69 69 ALA HB3 H 1 1.194 0.025 . 1 . . . A 69 ALA HB3 . 17414 1 648 . 1 1 69 69 ALA CA C 13 49.203 0.095 . 1 . . . A 69 ALA CA . 17414 1 649 . 1 1 69 69 ALA CB C 13 22.138 0.000 . 1 . . . A 69 ALA CB . 17414 1 650 . 1 1 69 69 ALA N N 15 124.233 0.103 . 1 . . . A 69 ALA N . 17414 1 651 . 1 1 70 70 THR H H 1 8.747 0.066 . 1 . . . A 70 THR H . 17414 1 652 . 1 1 70 70 THR HA H 1 5.152 0.036 . 1 . . . A 70 THR HA . 17414 1 653 . 1 1 70 70 THR HB H 1 4.807 0.028 . 1 . . . A 70 THR HB . 17414 1 654 . 1 1 70 70 THR HG21 H 1 1.483 0.016 . 1 . . . A 70 THR HG21 . 17414 1 655 . 1 1 70 70 THR HG22 H 1 1.483 0.016 . 1 . . . A 70 THR HG22 . 17414 1 656 . 1 1 70 70 THR HG23 H 1 1.483 0.016 . 1 . . . A 70 THR HG23 . 17414 1 657 . 1 1 70 70 THR CA C 13 60.495 0.063 . 1 . . . A 70 THR CA . 17414 1 658 . 1 1 70 70 THR CB C 13 67.570 0.015 . 1 . . . A 70 THR CB . 17414 1 659 . 1 1 70 70 THR CG2 C 13 23.730 0.026 . 1 . . . A 70 THR CG2 . 17414 1 660 . 1 1 70 70 THR N N 15 111.459 0.103 . 1 . . . A 70 THR N . 17414 1 661 . 1 1 71 71 PRO HA H 1 4.165 0.022 . 1 . . . A 71 PRO HA . 17414 1 662 . 1 1 71 71 PRO HB2 H 1 2.381 0.023 . 2 . . . A 71 PRO HB2 . 17414 1 663 . 1 1 71 71 PRO HB3 H 1 2.120 0.012 . 2 . . . A 71 PRO HB3 . 17414 1 664 . 1 1 71 71 PRO HG2 H 1 2.253 0.004 . 2 . . . A 71 PRO HG2 . 17414 1 665 . 1 1 71 71 PRO HD2 H 1 4.026 0.001 . 2 . . . A 71 PRO HD2 . 17414 1 666 . 1 1 71 71 PRO HD3 H 1 3.838 0.032 . 2 . . . A 71 PRO HD3 . 17414 1 667 . 1 1 71 71 PRO CA C 13 64.390 0.064 . 1 . . . A 71 PRO CA . 17414 1 668 . 1 1 72 72 ASP H H 1 8.714 0.031 . 1 . . . A 72 ASP H . 17414 1 669 . 1 1 72 72 ASP HA H 1 4.505 0.028 . 1 . . . A 72 ASP HA . 17414 1 670 . 1 1 72 72 ASP HB2 H 1 2.742 0.059 . 2 . . . A 72 ASP HB2 . 17414 1 671 . 1 1 72 72 ASP HB3 H 1 2.610 0.010 . 2 . . . A 72 ASP HB3 . 17414 1 672 . 1 1 72 72 ASP CA C 13 52.827 0.066 . 1 . . . A 72 ASP CA . 17414 1 673 . 1 1 72 72 ASP N N 15 112.234 0.140 . 1 . . . A 72 ASP N . 17414 1 674 . 1 1 73 73 HIS H H 1 8.301 0.015 . 1 . . . A 73 HIS H . 17414 1 675 . 1 1 73 73 HIS HA H 1 3.796 0.022 . 1 . . . A 73 HIS HA . 17414 1 676 . 1 1 73 73 HIS HB2 H 1 3.327 0.019 . 2 . . . A 73 HIS HB2 . 17414 1 677 . 1 1 73 73 HIS HB3 H 1 3.089 0.032 . 2 . . . A 73 HIS HB3 . 17414 1 678 . 1 1 73 73 HIS HD2 H 1 7.159 0.026 . 1 . . . A 73 HIS HD2 . 17414 1 679 . 1 1 73 73 HIS HE1 H 1 8.065 0.000 . 1 . . . A 73 HIS HE1 . 17414 1 680 . 1 1 73 73 HIS HE2 H 1 8.563 0.011 . 1 . . . A 73 HIS HE2 . 17414 1 681 . 1 1 73 73 HIS CA C 13 58.310 0.048 . 1 . . . A 73 HIS CA . 17414 1 682 . 1 1 73 73 HIS CB C 13 32.385 0.233 . 1 . . . A 73 HIS CB . 17414 1 683 . 1 1 73 73 HIS N N 15 125.389 0.343 . 1 . . . A 73 HIS N . 17414 1 684 . 1 1 74 74 LYS H H 1 8.374 0.012 . 1 . . . A 74 LYS H . 17414 1 685 . 1 1 74 74 LYS HA H 1 4.661 0.026 . 1 . . . A 74 LYS HA . 17414 1 686 . 1 1 74 74 LYS HB2 H 1 1.526 0.023 . 2 . . . A 74 LYS HB2 . 17414 1 687 . 1 1 74 74 LYS HB3 H 1 1.400 0.020 . 2 . . . A 74 LYS HB3 . 17414 1 688 . 1 1 74 74 LYS HD2 H 1 1.175 0.024 . 2 . . . A 74 LYS HD2 . 17414 1 689 . 1 1 74 74 LYS CA C 13 56.845 0.039 . 1 . . . A 74 LYS CA . 17414 1 690 . 1 1 74 74 LYS N N 15 127.412 0.173 . 1 . . . A 74 LYS N . 17414 1 691 . 1 1 75 75 VAL H H 1 9.430 0.013 . 1 . . . A 75 VAL H . 17414 1 692 . 1 1 75 75 VAL HA H 1 4.754 0.047 . 1 . . . A 75 VAL HA . 17414 1 693 . 1 1 75 75 VAL HB H 1 1.968 0.029 . 1 . . . A 75 VAL HB . 17414 1 694 . 1 1 75 75 VAL HG11 H 1 0.967 0.023 . 2 . . . A 75 VAL HG11 . 17414 1 695 . 1 1 75 75 VAL HG12 H 1 0.967 0.023 . 2 . . . A 75 VAL HG12 . 17414 1 696 . 1 1 75 75 VAL HG13 H 1 0.967 0.023 . 2 . . . A 75 VAL HG13 . 17414 1 697 . 1 1 75 75 VAL HG21 H 1 0.184 0.000 . 2 . . . A 75 VAL HG21 . 17414 1 698 . 1 1 75 75 VAL HG22 H 1 0.184 0.000 . 2 . . . A 75 VAL HG22 . 17414 1 699 . 1 1 75 75 VAL HG23 H 1 0.184 0.000 . 2 . . . A 75 VAL HG23 . 17414 1 700 . 1 1 75 75 VAL CA C 13 60.739 0.030 . 1 . . . A 75 VAL CA . 17414 1 701 . 1 1 75 75 VAL CB C 13 35.276 0.000 . 1 . . . A 75 VAL CB . 17414 1 702 . 1 1 75 75 VAL CG1 C 13 20.928 0.000 . 2 . . . A 75 VAL CG1 . 17414 1 703 . 1 1 75 75 VAL N N 15 125.726 0.067 . 1 . . . A 75 VAL N . 17414 1 704 . 1 1 76 76 LEU H H 1 8.312 0.062 . 1 . . . A 76 LEU H . 17414 1 705 . 1 1 76 76 LEU HA H 1 3.514 0.042 . 1 . . . A 76 LEU HA . 17414 1 706 . 1 1 76 76 LEU HB2 H 1 1.441 0.036 . 2 . . . A 76 LEU HB2 . 17414 1 707 . 1 1 76 76 LEU HB3 H 1 -0.250 0.016 . 2 . . . A 76 LEU HB3 . 17414 1 708 . 1 1 76 76 LEU HG H 1 1.031 0.046 . 1 . . . A 76 LEU HG . 17414 1 709 . 1 1 76 76 LEU HD11 H 1 -0.278 0.025 . 2 . . . A 76 LEU HD11 . 17414 1 710 . 1 1 76 76 LEU HD12 H 1 -0.278 0.025 . 2 . . . A 76 LEU HD12 . 17414 1 711 . 1 1 76 76 LEU HD13 H 1 -0.278 0.025 . 2 . . . A 76 LEU HD13 . 17414 1 712 . 1 1 76 76 LEU HD21 H 1 0.412 0.017 . 2 . . . A 76 LEU HD21 . 17414 1 713 . 1 1 76 76 LEU HD22 H 1 0.412 0.017 . 2 . . . A 76 LEU HD22 . 17414 1 714 . 1 1 76 76 LEU HD23 H 1 0.412 0.017 . 2 . . . A 76 LEU HD23 . 17414 1 715 . 1 1 76 76 LEU CA C 13 55.222 0.027 . 1 . . . A 76 LEU CA . 17414 1 716 . 1 1 76 76 LEU CB C 13 39.052 0.028 . 1 . . . A 76 LEU CB . 17414 1 717 . 1 1 76 76 LEU CG C 13 25.627 0.149 . 1 . . . A 76 LEU CG . 17414 1 718 . 1 1 76 76 LEU CD1 C 13 19.386 0.068 . 2 . . . A 76 LEU CD1 . 17414 1 719 . 1 1 76 76 LEU CD2 C 13 24.357 0.033 . 2 . . . A 76 LEU CD2 . 17414 1 720 . 1 1 76 76 LEU N N 15 129.759 0.080 . 1 . . . A 76 LEU N . 17414 1 721 . 1 1 77 77 THR H H 1 7.367 0.021 . 1 . . . A 77 THR H . 17414 1 722 . 1 1 77 77 THR HA H 1 5.295 0.029 . 1 . . . A 77 THR HA . 17414 1 723 . 1 1 77 77 THR HB H 1 4.943 0.409 . 1 . . . A 77 THR HB . 17414 1 724 . 1 1 77 77 THR HG21 H 1 1.296 0.018 . 1 . . . A 77 THR HG21 . 17414 1 725 . 1 1 77 77 THR HG22 H 1 1.296 0.018 . 1 . . . A 77 THR HG22 . 17414 1 726 . 1 1 77 77 THR HG23 H 1 1.296 0.018 . 1 . . . A 77 THR HG23 . 17414 1 727 . 1 1 77 77 THR CA C 13 59.543 0.115 . 1 . . . A 77 THR CA . 17414 1 728 . 1 1 77 77 THR N N 15 116.138 0.108 . 1 . . . A 77 THR N . 17414 1 729 . 1 1 78 78 GLU H H 1 8.220 0.049 . 1 . . . A 78 GLU H . 17414 1 730 . 1 1 78 78 GLU HA H 1 3.558 0.034 . 1 . . . A 78 GLU HA . 17414 1 731 . 1 1 78 78 GLU HB2 H 1 1.315 0.015 . 2 . . . A 78 GLU HB2 . 17414 1 732 . 1 1 78 78 GLU HB3 H 1 1.002 0.007 . 2 . . . A 78 GLU HB3 . 17414 1 733 . 1 1 78 78 GLU HG2 H 1 1.358 0.062 . 2 . . . A 78 GLU HG2 . 17414 1 734 . 1 1 78 78 GLU HG3 H 1 0.902 0.061 . 2 . . . A 78 GLU HG3 . 17414 1 735 . 1 1 78 78 GLU CA C 13 57.551 0.004 . 1 . . . A 78 GLU CA . 17414 1 736 . 1 1 78 78 GLU CB C 13 28.385 0.026 . 1 . . . A 78 GLU CB . 17414 1 737 . 1 1 78 78 GLU N N 15 119.986 0.117 . 1 . . . A 78 GLU N . 17414 1 738 . 1 1 79 79 TYR H H 1 7.705 0.011 . 1 . . . A 79 TYR H . 17414 1 739 . 1 1 79 79 TYR HA H 1 4.749 0.041 . 1 . . . A 79 TYR HA . 17414 1 740 . 1 1 79 79 TYR HB2 H 1 3.400 0.022 . 2 . . . A 79 TYR HB2 . 17414 1 741 . 1 1 79 79 TYR HB3 H 1 2.339 0.024 . 2 . . . A 79 TYR HB3 . 17414 1 742 . 1 1 79 79 TYR HD1 H 1 7.032 0.019 . 1 . . . A 79 TYR HD1 . 17414 1 743 . 1 1 79 79 TYR HD2 H 1 7.032 0.019 . 1 . . . A 79 TYR HD2 . 17414 1 744 . 1 1 79 79 TYR CA C 13 55.553 0.032 . 1 . . . A 79 TYR CA . 17414 1 745 . 1 1 79 79 TYR CB C 13 37.935 0.015 . 1 . . . A 79 TYR CB . 17414 1 746 . 1 1 79 79 TYR N N 15 117.251 0.100 . 1 . . . A 79 TYR N . 17414 1 747 . 1 1 80 80 GLY H H 1 7.315 0.006 . 1 . . . A 80 GLY H . 17414 1 748 . 1 1 80 80 GLY HA2 H 1 4.641 0.026 . 2 . . . A 80 GLY HA2 . 17414 1 749 . 1 1 80 80 GLY HA3 H 1 3.535 0.023 . 2 . . . A 80 GLY HA3 . 17414 1 750 . 1 1 80 80 GLY CA C 13 42.757 0.010 . 1 . . . A 80 GLY CA . 17414 1 751 . 1 1 80 80 GLY N N 15 106.884 0.112 . 1 . . . A 80 GLY N . 17414 1 752 . 1 1 81 81 TRP H H 1 9.028 0.051 . 1 . . . A 81 TRP H . 17414 1 753 . 1 1 81 81 TRP HA H 1 4.884 0.059 . 1 . . . A 81 TRP HA . 17414 1 754 . 1 1 81 81 TRP HB2 H 1 3.185 0.016 . 2 . . . A 81 TRP HB2 . 17414 1 755 . 1 1 81 81 TRP HB3 H 1 2.916 0.019 . 2 . . . A 81 TRP HB3 . 17414 1 756 . 1 1 81 81 TRP HD1 H 1 7.425 0.018 . 1 . . . A 81 TRP HD1 . 17414 1 757 . 1 1 81 81 TRP HE1 H 1 10.433 0.007 . 1 . . . A 81 TRP HE1 . 17414 1 758 . 1 1 81 81 TRP HE3 H 1 7.217 0.024 . 1 . . . A 81 TRP HE3 . 17414 1 759 . 1 1 81 81 TRP HZ2 H 1 7.577 0.010 . 1 . . . A 81 TRP HZ2 . 17414 1 760 . 1 1 81 81 TRP HZ3 H 1 7.139 0.062 . 1 . . . A 81 TRP HZ3 . 17414 1 761 . 1 1 81 81 TRP HH2 H 1 6.896 0.019 . 1 . . . A 81 TRP HH2 . 17414 1 762 . 1 1 81 81 TRP CA C 13 57.790 0.091 . 1 . . . A 81 TRP CA . 17414 1 763 . 1 1 81 81 TRP CB C 13 29.255 0.032 . 1 . . . A 81 TRP CB . 17414 1 764 . 1 1 81 81 TRP N N 15 125.593 0.134 . 1 . . . A 81 TRP N . 17414 1 765 . 1 1 81 81 TRP NE1 N 15 130.253 0.131 . 1 . . . A 81 TRP NE1 . 17414 1 766 . 1 1 82 82 ARG H H 1 9.420 0.020 . 1 . . . A 82 ARG H . 17414 1 767 . 1 1 82 82 ARG HA H 1 4.773 0.039 . 1 . . . A 82 ARG HA . 17414 1 768 . 1 1 82 82 ARG HB2 H 1 1.809 0.019 . 2 . . . A 82 ARG HB2 . 17414 1 769 . 1 1 82 82 ARG HB3 H 1 1.588 0.022 . 2 . . . A 82 ARG HB3 . 17414 1 770 . 1 1 82 82 ARG CA C 13 53.895 0.143 . 1 . . . A 82 ARG CA . 17414 1 771 . 1 1 82 82 ARG N N 15 124.625 0.230 . 1 . . . A 82 ARG N . 17414 1 772 . 1 1 83 83 ALA H H 1 8.771 0.005 . 1 . . . A 83 ALA H . 17414 1 773 . 1 1 83 83 ALA HA H 1 4.293 0.042 . 1 . . . A 83 ALA HA . 17414 1 774 . 1 1 83 83 ALA HB1 H 1 1.475 0.019 . 1 . . . A 83 ALA HB1 . 17414 1 775 . 1 1 83 83 ALA HB2 H 1 1.475 0.019 . 1 . . . A 83 ALA HB2 . 17414 1 776 . 1 1 83 83 ALA HB3 H 1 1.475 0.019 . 1 . . . A 83 ALA HB3 . 17414 1 777 . 1 1 83 83 ALA CA C 13 51.686 0.000 . 1 . . . A 83 ALA CA . 17414 1 778 . 1 1 83 83 ALA N N 15 125.891 0.120 . 1 . . . A 83 ALA N . 17414 1 779 . 1 1 84 84 ALA H H 1 9.297 0.199 . 1 . . . A 84 ALA H . 17414 1 780 . 1 1 84 84 ALA HA H 1 3.930 0.019 . 1 . . . A 84 ALA HA . 17414 1 781 . 1 1 84 84 ALA HB1 H 1 1.490 0.018 . 1 . . . A 84 ALA HB1 . 17414 1 782 . 1 1 84 84 ALA HB2 H 1 1.490 0.018 . 1 . . . A 84 ALA HB2 . 17414 1 783 . 1 1 84 84 ALA HB3 H 1 1.490 0.018 . 1 . . . A 84 ALA HB3 . 17414 1 784 . 1 1 84 84 ALA CA C 13 55.022 0.069 . 1 . . . A 83 ALA CA . 17414 1 785 . 1 1 84 84 ALA CB C 13 17.269 0.074 . 1 . . . A 84 ALA CB . 17414 1 786 . 1 1 84 84 ALA N N 15 125.790 0.140 . 1 . . . A 84 ALA N . 17414 1 787 . 1 1 85 85 GLY H H 1 9.743 0.026 . 1 . . . A 85 GLY H . 17414 1 788 . 1 1 85 85 GLY HA2 H 1 3.910 0.012 . 1 . . . A 85 GLY HA2 . 17414 1 789 . 1 1 85 85 GLY HA3 H 1 3.910 0.012 . 1 . . . A 85 GLY HA3 . 17414 1 790 . 1 1 85 85 GLY N N 15 102.306 0.165 . 1 . . . A 85 GLY N . 17414 1 791 . 1 1 86 86 GLU H H 1 8.123 0.012 . 1 . . . A 86 GLU H . 17414 1 792 . 1 1 86 86 GLU HA H 1 4.414 0.023 . 1 . . . A 86 GLU HA . 17414 1 793 . 1 1 86 86 GLU HB2 H 1 2.177 0.029 . 1 . . . A 86 GLU HB2 . 17414 1 794 . 1 1 86 86 GLU HB3 H 1 2.177 0.029 . 1 . . . A 86 GLU HB3 . 17414 1 795 . 1 1 86 86 GLU HG2 H 1 2.359 0.008 . 1 . . . A 86 GLU HG2 . 17414 1 796 . 1 1 86 86 GLU HG3 H 1 2.359 0.008 . 1 . . . A 86 GLU HG3 . 17414 1 797 . 1 1 86 86 GLU CA C 13 55.233 0.000 . 1 . . . A 86 GLU CA . 17414 1 798 . 1 1 86 86 GLU CB C 13 30.231 0.000 . 1 . . . A 86 GLU CB . 17414 1 799 . 1 1 86 86 GLU N N 15 117.564 0.105 . 1 . . . A 86 GLU N . 17414 1 800 . 1 1 87 87 LEU H H 1 7.174 0.014 . 1 . . . A 87 LEU H . 17414 1 801 . 1 1 87 87 LEU HA H 1 4.417 0.026 . 1 . . . A 87 LEU HA . 17414 1 802 . 1 1 87 87 LEU HB2 H 1 1.914 0.025 . 2 . . . A 87 LEU HB2 . 17414 1 803 . 1 1 87 87 LEU HB3 H 1 1.262 0.023 . 2 . . . A 87 LEU HB3 . 17414 1 804 . 1 1 87 87 LEU HG H 1 0.780 0.024 . 1 . . . A 87 LEU HG . 17414 1 805 . 1 1 87 87 LEU HD11 H 1 0.775 0.021 . 2 . . . A 87 LEU HD11 . 17414 1 806 . 1 1 87 87 LEU HD12 H 1 0.775 0.021 . 2 . . . A 87 LEU HD12 . 17414 1 807 . 1 1 87 87 LEU HD13 H 1 0.775 0.021 . 2 . . . A 87 LEU HD13 . 17414 1 808 . 1 1 87 87 LEU CA C 13 54.274 0.058 . 1 . . . A 87 LEU CA . 17414 1 809 . 1 1 87 87 LEU CB C 13 41.471 0.045 . 1 . . . A 87 LEU CB . 17414 1 810 . 1 1 87 87 LEU CG C 13 24.276 0.000 . 1 . . . A 87 LEU CG . 17414 1 811 . 1 1 87 87 LEU CD1 C 13 22.702 0.000 . 2 . . . A 87 LEU CD1 . 17414 1 812 . 1 1 87 87 LEU N N 15 119.746 0.133 . 1 . . . A 87 LEU N . 17414 1 813 . 1 1 88 88 ARG H H 1 9.100 0.014 . 1 . . . A 88 ARG H . 17414 1 814 . 1 1 88 88 ARG HA H 1 4.627 0.026 . 1 . . . A 88 ARG HA . 17414 1 815 . 1 1 88 88 ARG HB2 H 1 1.801 0.073 . 2 . . . A 88 ARG HB2 . 17414 1 816 . 1 1 88 88 ARG HB3 H 1 1.612 0.025 . 2 . . . A 88 ARG HB3 . 17414 1 817 . 1 1 88 88 ARG HD2 H 1 3.251 0.044 . 2 . . . A 88 ARG HD2 . 17414 1 818 . 1 1 88 88 ARG HD3 H 1 3.148 0.000 . 2 . . . A 88 ARG HD3 . 17414 1 819 . 1 1 88 88 ARG CA C 13 52.594 0.018 . 1 . . . A 88 ARG CA . 17414 1 820 . 1 1 88 88 ARG N N 15 120.899 0.113 . 1 . . . A 88 ARG N . 17414 1 821 . 1 1 89 89 LYS H H 1 8.400 0.009 . 1 . . . A 89 LYS H . 17414 1 822 . 1 1 89 89 LYS HA H 1 3.669 0.024 . 1 . . . A 89 LYS HA . 17414 1 823 . 1 1 89 89 LYS HB2 H 1 1.895 0.648 . 2 . . . A 89 LYS HB2 . 17414 1 824 . 1 1 89 89 LYS HB3 H 1 2.158 0.000 . 2 . . . A 89 LYS HB3 . 17414 1 825 . 1 1 89 89 LYS HG2 H 1 1.418 0.031 . 1 . . . A 89 LYS HG2 . 17414 1 826 . 1 1 89 89 LYS HG3 H 1 1.251 0.000 . 1 . . . A 89 LYS HG3 . 17414 1 827 . 1 1 89 89 LYS HE2 H 1 3.080 0.000 . 2 . . . A 89 LYS HE2 . 17414 1 828 . 1 1 89 89 LYS CA C 13 57.770 0.076 . 1 . . . A 89 LYS CA . 17414 1 829 . 1 1 89 89 LYS N N 15 119.795 0.094 . 1 . . . A 89 LYS N . 17414 1 830 . 1 1 90 90 GLY H H 1 8.864 0.017 . 1 . . . A 90 GLY H . 17414 1 831 . 1 1 90 90 GLY HA2 H 1 4.567 0.018 . 2 . . . A 90 GLY HA2 . 17414 1 832 . 1 1 90 90 GLY HA3 H 1 3.424 0.024 . 2 . . . A 90 GLY HA3 . 17414 1 833 . 1 1 90 90 GLY CA C 13 44.499 0.023 . 1 . . . A 90 GLY CA . 17414 1 834 . 1 1 90 90 GLY N N 15 115.070 0.070 . 1 . . . A 90 GLY N . 17414 1 835 . 1 1 91 91 ASP H H 1 8.165 0.013 . 1 . . . A 91 ASP H . 17414 1 836 . 1 1 91 91 ASP HA H 1 4.716 0.019 . 1 . . . A 91 ASP HA . 17414 1 837 . 1 1 91 91 ASP HB2 H 1 2.998 0.013 . 2 . . . A 91 ASP HB2 . 17414 1 838 . 1 1 91 91 ASP HB3 H 1 2.554 0.023 . 2 . . . A 91 ASP HB3 . 17414 1 839 . 1 1 91 91 ASP CA C 13 55.866 0.000 . 1 . . . A 91 ASP CA . 17414 1 840 . 1 1 91 91 ASP N N 15 121.652 0.090 . 1 . . . A 91 ASP N . 17414 1 841 . 1 1 92 92 ARG H H 1 8.740 0.021 . 1 . . . A 92 ARG H . 17414 1 842 . 1 1 92 92 ARG HA H 1 5.241 0.023 . 1 . . . A 92 ARG HA . 17414 1 843 . 1 1 92 92 ARG HB2 H 1 1.693 0.029 . 2 . . . A 92 ARG HB2 . 17414 1 844 . 1 1 92 92 ARG HB3 H 1 1.358 0.014 . 2 . . . A 92 ARG HB3 . 17414 1 845 . 1 1 92 92 ARG HG2 H 1 1.746 0.021 . 2 . . . A 92 ARG HG2 . 17414 1 846 . 1 1 92 92 ARG HG3 H 1 1.292 0.014 . 2 . . . A 92 ARG HG3 . 17414 1 847 . 1 1 92 92 ARG HD2 H 1 3.140 0.000 . 2 . . . A 92 ARG HD2 . 17414 1 848 . 1 1 92 92 ARG HD3 H 1 2.984 0.003 . 2 . . . A 92 ARG HD3 . 17414 1 849 . 1 1 92 92 ARG HH21 H 1 6.314 0.000 . 2 . . . A 92 ARG HH21 . 17414 1 850 . 1 1 92 92 ARG CA C 13 54.976 0.057 . 1 . . . A 92 ARG CA . 17414 1 851 . 1 1 92 92 ARG CB C 13 31.655 0.021 . 1 . . . A 92 ARG CB . 17414 1 852 . 1 1 92 92 ARG CG C 13 27.374 0.032 . 1 . . . A 92 ARG CG . 17414 1 853 . 1 1 92 92 ARG N N 15 117.826 0.124 . 1 . . . A 92 ARG N . 17414 1 854 . 1 1 93 93 VAL H H 1 8.831 0.012 . 1 . . . A 93 VAL H . 17414 1 855 . 1 1 93 93 VAL HA H 1 4.839 0.029 . 1 . . . A 93 VAL HA . 17414 1 856 . 1 1 93 93 VAL HB H 1 2.130 0.067 . 1 . . . A 93 VAL HB . 17414 1 857 . 1 1 93 93 VAL HG11 H 1 0.777 0.020 . 2 . . . A 93 VAL HG11 . 17414 1 858 . 1 1 93 93 VAL HG12 H 1 0.777 0.020 . 2 . . . A 93 VAL HG12 . 17414 1 859 . 1 1 93 93 VAL HG13 H 1 0.777 0.020 . 2 . . . A 93 VAL HG13 . 17414 1 860 . 1 1 93 93 VAL HG21 H 1 0.416 0.025 . 2 . . . A 93 VAL HG21 . 17414 1 861 . 1 1 93 93 VAL HG22 H 1 0.416 0.025 . 2 . . . A 93 VAL HG22 . 17414 1 862 . 1 1 93 93 VAL HG23 H 1 0.416 0.025 . 2 . . . A 93 VAL HG23 . 17414 1 863 . 1 1 93 93 VAL CA C 13 58.222 0.141 . 1 . . . A 93 VAL CA . 17414 1 864 . 1 1 93 93 VAL N N 15 115.034 0.102 . 1 . . . A 93 VAL N . 17414 1 865 . 1 1 94 94 ALA H H 1 8.556 0.025 . 1 . . . A 94 ALA H . 17414 1 866 . 1 1 94 94 ALA HA H 1 4.271 0.026 . 1 . . . A 94 ALA HA . 17414 1 867 . 1 1 94 94 ALA HB1 H 1 0.935 0.034 . 1 . . . A 94 ALA HB1 . 17414 1 868 . 1 1 94 94 ALA HB2 H 1 0.935 0.034 . 1 . . . A 94 ALA HB2 . 17414 1 869 . 1 1 94 94 ALA HB3 H 1 0.935 0.034 . 1 . . . A 94 ALA HB3 . 17414 1 870 . 1 1 94 94 ALA CA C 13 50.975 0.235 . 1 . . . A 94 ALA CA . 17414 1 871 . 1 1 94 94 ALA CB C 13 18.748 0.009 . 1 . . . A 94 ALA CB . 17414 1 872 . 1 1 94 94 ALA N N 15 126.192 0.109 . 1 . . . A 94 ALA N . 17414 1 873 . 1 1 95 95 VAL H H 1 8.848 0.018 . 1 . . . A 95 VAL H . 17414 1 874 . 1 1 95 95 VAL HA H 1 5.317 0.034 . 1 . . . A 95 VAL HA . 17414 1 875 . 1 1 95 95 VAL HB H 1 2.020 0.016 . 1 . . . A 95 VAL HB . 17414 1 876 . 1 1 95 95 VAL HG11 H 1 0.782 0.016 . 2 . . . A 95 VAL HG11 . 17414 1 877 . 1 1 95 95 VAL HG12 H 1 0.782 0.016 . 2 . . . A 95 VAL HG12 . 17414 1 878 . 1 1 95 95 VAL HG13 H 1 0.782 0.016 . 2 . . . A 95 VAL HG13 . 17414 1 879 . 1 1 95 95 VAL HG21 H 1 0.455 0.027 . 2 . . . A 95 VAL HG21 . 17414 1 880 . 1 1 95 95 VAL HG22 H 1 0.455 0.027 . 2 . . . A 95 VAL HG22 . 17414 1 881 . 1 1 95 95 VAL HG23 H 1 0.455 0.027 . 2 . . . A 95 VAL HG23 . 17414 1 882 . 1 1 95 95 VAL CA C 13 57.154 0.027 . 1 . . . A 95 VAL CA . 17414 1 883 . 1 1 95 95 VAL CB C 13 35.186 0.026 . 1 . . . A 95 VAL CB . 17414 1 884 . 1 1 95 95 VAL N N 15 115.179 0.132 . 1 . . . A 95 VAL N . 17414 1 885 . 1 1 96 96 ARG H H 1 8.061 0.034 . 1 . . . A 96 ARG H . 17414 1 886 . 1 1 96 96 ARG HA H 1 4.230 0.035 . 1 . . . A 96 ARG HA . 17414 1 887 . 1 1 96 96 ARG HB2 H 1 1.547 0.025 . 2 . . . A 96 ARG HB2 . 17414 1 888 . 1 1 96 96 ARG HB3 H 1 1.042 0.044 . 2 . . . A 96 ARG HB3 . 17414 1 889 . 1 1 96 96 ARG HG2 H 1 1.010 0.003 . 2 . . . A 96 ARG HG2 . 17414 1 890 . 1 1 96 96 ARG HD2 H 1 3.103 0.006 . 2 . . . A 96 ARG HD2 . 17414 1 891 . 1 1 96 96 ARG HD3 H 1 2.908 0.004 . 2 . . . A 96 ARG HD3 . 17414 1 892 . 1 1 96 96 ARG CA C 13 53.613 0.428 . 1 . . . A 96 ARG CA . 17414 1 893 . 1 1 96 96 ARG CB C 13 31.697 0.318 . 1 . . . A 96 ARG CB . 17414 1 894 . 1 1 96 96 ARG N N 15 119.288 0.111 . 1 . . . A 96 ARG N . 17414 1 895 . 1 1 97 97 ASP H H 1 8.863 0.011 . 1 . . . A 97 ASP H . 17414 1 896 . 1 1 97 97 ASP HA H 1 4.415 0.026 . 1 . . . A 97 ASP HA . 17414 1 897 . 1 1 97 97 ASP HB2 H 1 2.805 0.150 . 2 . . . A 97 ASP HB2 . 17414 1 898 . 1 1 97 97 ASP HB3 H 1 2.254 0.022 . 2 . . . A 97 ASP HB3 . 17414 1 899 . 1 1 97 97 ASP CA C 13 53.887 0.115 . 1 . . . A 97 ASP CA . 17414 1 900 . 1 1 97 97 ASP CB C 13 42.723 0.023 . 1 . . . A 97 ASP CB . 17414 1 901 . 1 1 97 97 ASP N N 15 131.180 0.077 . 1 . . . A 97 ASP N . 17414 1 902 . 1 1 98 98 VAL H H 1 8.404 0.006 . 1 . . . A 98 VAL H . 17414 1 903 . 1 1 98 98 VAL HA H 1 3.489 0.023 . 1 . . . A 98 VAL HA . 17414 1 904 . 1 1 98 98 VAL HB H 1 1.965 0.030 . 1 . . . A 98 VAL HB . 17414 1 905 . 1 1 98 98 VAL HG11 H 1 0.837 0.018 . 2 . . . A 98 VAL HG11 . 17414 1 906 . 1 1 98 98 VAL HG12 H 1 0.837 0.018 . 2 . . . A 98 VAL HG12 . 17414 1 907 . 1 1 98 98 VAL HG13 H 1 0.837 0.018 . 2 . . . A 98 VAL HG13 . 17414 1 908 . 1 1 98 98 VAL CA C 13 64.431 0.036 . 1 . . . A 98 VAL CA . 17414 1 909 . 1 1 98 98 VAL CB C 13 31.047 0.089 . 1 . . . A 98 VAL CB . 17414 1 910 . 1 1 98 98 VAL N N 15 126.152 0.077 . 1 . . . A 98 VAL N . 17414 1 911 . 1 1 99 99 GLU H H 1 8.161 0.004 . 1 . . . A 99 GLU H . 17414 1 912 . 1 1 99 99 GLU HA H 1 4.127 0.021 . 1 . . . A 99 GLU HA . 17414 1 913 . 1 1 99 99 GLU HB2 H 1 2.127 0.035 . 2 . . . A 99 GLU HB2 . 17414 1 914 . 1 1 99 99 GLU HB3 H 1 2.072 0.031 . 2 . . . A 99 GLU HB3 . 17414 1 915 . 1 1 99 99 GLU HG2 H 1 2.264 0.002 . 2 . . . A 99 GLU HG2 . 17414 1 916 . 1 1 99 99 GLU HG3 H 1 2.264 0.002 . 2 . . . A 99 GLU HG3 . 17414 1 917 . 1 1 99 99 GLU CA C 13 58.178 0.056 . 1 . . . A 99 GLU CA . 17414 1 918 . 1 1 99 99 GLU CB C 13 29.591 0.073 . 1 . . . A 99 GLU CB . 17414 1 919 . 1 1 99 99 GLU CG C 13 36.070 0.000 . 1 . . . A 99 GLU CG . 17414 1 920 . 1 1 99 99 GLU N N 15 118.883 0.091 . 1 . . . A 99 GLU N . 17414 1 921 . 1 1 100 100 THR H H 1 7.981 0.008 . 1 . . . A 100 THR H . 17414 1 922 . 1 1 100 100 THR HA H 1 4.316 0.022 . 1 . . . A 100 THR HA . 17414 1 923 . 1 1 100 100 THR HB H 1 4.213 0.003 . 1 . . . A 100 THR HB . 17414 1 924 . 1 1 100 100 THR HG21 H 1 1.139 0.025 . 1 . . . A 100 THR HG21 . 17414 1 925 . 1 1 100 100 THR HG22 H 1 1.139 0.025 . 1 . . . A 100 THR HG22 . 17414 1 926 . 1 1 100 100 THR HG23 H 1 1.139 0.025 . 1 . . . A 100 THR HG23 . 17414 1 927 . 1 1 100 100 THR CA C 13 61.407 0.025 . 1 . . . A 100 THR CA . 17414 1 928 . 1 1 100 100 THR CB C 13 70.856 0.035 . 1 . . . A 100 THR CB . 17414 1 929 . 1 1 100 100 THR N N 15 106.301 0.088 . 1 . . . A 100 THR N . 17414 1 930 . 1 1 101 101 GLY H H 1 8.157 0.011 . 1 . . . A 101 GLY H . 17414 1 931 . 1 1 101 101 GLY HA2 H 1 4.027 0.026 . 2 . . . A 101 GLY HA2 . 17414 1 932 . 1 1 101 101 GLY HA3 H 1 3.456 0.022 . 2 . . . A 101 GLY HA3 . 17414 1 933 . 1 1 101 101 GLY CA C 13 45.284 0.054 . 1 . . . A 101 GLY CA . 17414 1 934 . 1 1 101 101 GLY N N 15 111.204 0.078 . 1 . . . A 101 GLY N . 17414 1 935 . 1 1 102 102 GLU H H 1 7.489 0.006 . 1 . . . A 102 GLU H . 17414 1 936 . 1 1 102 102 GLU HA H 1 4.301 0.025 . 1 . . . A 102 GLU HA . 17414 1 937 . 1 1 102 102 GLU HB2 H 1 1.740 0.023 . 2 . . . A 102 GLU HB2 . 17414 1 938 . 1 1 102 102 GLU HB3 H 1 1.947 0.038 . 2 . . . A 102 GLU HB3 . 17414 1 939 . 1 1 102 102 GLU HG2 H 1 2.104 0.045 . 2 . . . A 102 GLU HG2 . 17414 1 940 . 1 1 102 102 GLU HG3 H 1 2.264 0.000 . 2 . . . A 102 GLU HG3 . 17414 1 941 . 1 1 102 102 GLU CA C 13 55.160 0.201 . 1 . . . A 102 GLU CA . 17414 1 942 . 1 1 102 102 GLU CB C 13 31.769 0.000 . 1 . . . A 102 GLU CB . 17414 1 943 . 1 1 102 102 GLU CG C 13 36.012 0.000 . 1 . . . A 102 GLU CG . 17414 1 944 . 1 1 102 102 GLU N N 15 118.458 0.077 . 1 . . . A 102 GLU N . 17414 1 945 . 1 1 103 103 LEU H H 1 8.353 0.009 . 1 . . . A 103 LEU H . 17414 1 946 . 1 1 103 103 LEU HA H 1 4.716 0.021 . 1 . . . A 103 LEU HA . 17414 1 947 . 1 1 103 103 LEU HB2 H 1 1.441 0.027 . 2 . . . A 103 LEU HB2 . 17414 1 948 . 1 1 103 103 LEU HB3 H 1 1.330 0.027 . 2 . . . A 103 LEU HB3 . 17414 1 949 . 1 1 103 103 LEU HG H 1 0.469 0.009 . 1 . . . A 103 LEU HG . 17414 1 950 . 1 1 103 103 LEU HD11 H 1 0.643 0.000 . 2 . . . A 103 LEU HD11 . 17414 1 951 . 1 1 103 103 LEU HD12 H 1 0.643 0.000 . 2 . . . A 103 LEU HD12 . 17414 1 952 . 1 1 103 103 LEU HD13 H 1 0.643 0.000 . 2 . . . A 103 LEU HD13 . 17414 1 953 . 1 1 103 103 LEU HD21 H 1 0.487 0.029 . 2 . . . A 103 LEU HD21 . 17414 1 954 . 1 1 103 103 LEU HD22 H 1 0.487 0.029 . 2 . . . A 103 LEU HD22 . 17414 1 955 . 1 1 103 103 LEU HD23 H 1 0.487 0.029 . 2 . . . A 103 LEU HD23 . 17414 1 956 . 1 1 103 103 LEU CA C 13 54.930 0.000 . 1 . . . A 103 LEU CA . 17414 1 957 . 1 1 103 103 LEU CB C 13 42.346 0.015 . 1 . . . A 103 LEU CB . 17414 1 958 . 1 1 103 103 LEU N N 15 121.701 0.084 . 1 . . . A 103 LEU N . 17414 1 959 . 1 1 104 104 ARG H H 1 9.041 0.010 . 1 . . . A 104 ARG H . 17414 1 960 . 1 1 104 104 ARG HA H 1 4.403 0.025 . 1 . . . A 104 ARG HA . 17414 1 961 . 1 1 104 104 ARG HB2 H 1 1.829 0.023 . 2 . . . A 104 ARG HB2 . 17414 1 962 . 1 1 104 104 ARG HB3 H 1 1.517 0.029 . 2 . . . A 104 ARG HB3 . 17414 1 963 . 1 1 104 104 ARG HG2 H 1 1.339 0.008 . 2 . . . A 104 ARG HG2 . 17414 1 964 . 1 1 104 104 ARG HD2 H 1 3.259 0.002 . 2 . . . A 104 ARG HD2 . 17414 1 965 . 1 1 104 104 ARG HD3 H 1 3.094 0.010 . 2 . . . A 104 ARG HD3 . 17414 1 966 . 1 1 104 104 ARG CA C 13 53.201 0.052 . 1 . . . A 104 ARG CA . 17414 1 967 . 1 1 104 104 ARG CB C 13 32.989 0.021 . 1 . . . A 104 ARG CB . 17414 1 968 . 1 1 104 104 ARG N N 15 127.157 0.088 . 1 . . . A 104 ARG N . 17414 1 969 . 1 1 105 105 TYR H H 1 8.303 0.008 . 1 . . . A 105 TYR H . 17414 1 970 . 1 1 105 105 TYR HA H 1 5.490 0.020 . 1 . . . A 105 TYR HA . 17414 1 971 . 1 1 105 105 TYR HB2 H 1 2.620 0.026 . 2 . . . A 105 TYR HB2 . 17414 1 972 . 1 1 105 105 TYR HB3 H 1 2.534 0.040 . 2 . . . A 105 TYR HB3 . 17414 1 973 . 1 1 105 105 TYR HD1 H 1 6.680 0.025 . 1 . . . A 105 TYR HD1 . 17414 1 974 . 1 1 105 105 TYR HD2 H 1 6.680 0.025 . 1 . . . A 105 TYR HD2 . 17414 1 975 . 1 1 105 105 TYR HE1 H 1 6.317 0.019 . 1 . . . A 105 TYR HE1 . 17414 1 976 . 1 1 105 105 TYR HE2 H 1 6.317 0.019 . 1 . . . A 105 TYR HE2 . 17414 1 977 . 1 1 105 105 TYR CA C 13 56.831 0.055 . 1 . . . A 105 TYR CA . 17414 1 978 . 1 1 105 105 TYR CB C 13 40.116 0.042 . 1 . . . A 105 TYR CB . 17414 1 979 . 1 1 105 105 TYR N N 15 116.202 0.090 . 1 . . . A 105 TYR N . 17414 1 980 . 1 1 106 106 SER H H 1 9.254 0.026 . 1 . . . A 106 SER H . 17414 1 981 . 1 1 106 106 SER HA H 1 4.807 0.314 . 1 . . . A 106 SER HA . 17414 1 982 . 1 1 106 106 SER HB2 H 1 3.681 0.020 . 2 . . . A 106 SER HB2 . 17414 1 983 . 1 1 106 106 SER HB3 H 1 3.490 0.028 . 2 . . . A 106 SER HB3 . 17414 1 984 . 1 1 106 106 SER CA C 13 55.888 0.112 . 1 . . . A 106 SER CA . 17414 1 985 . 1 1 106 106 SER CB C 13 66.301 0.026 . 1 . . . A 106 SER CB . 17414 1 986 . 1 1 106 106 SER N N 15 118.250 0.096 . 1 . . . A 106 SER N . 17414 1 987 . 1 1 107 107 VAL H H 1 8.279 0.011 . 1 . . . A 107 VAL H . 17414 1 988 . 1 1 107 107 VAL HA H 1 4.423 0.029 . 1 . . . A 107 VAL HA . 17414 1 989 . 1 1 107 107 VAL HB H 1 1.866 0.024 . 1 . . . A 107 VAL HB . 17414 1 990 . 1 1 107 107 VAL HG11 H 1 0.915 0.004 . 2 . . . A 107 VAL HG11 . 17414 1 991 . 1 1 107 107 VAL HG12 H 1 0.915 0.004 . 2 . . . A 107 VAL HG12 . 17414 1 992 . 1 1 107 107 VAL HG13 H 1 0.915 0.004 . 2 . . . A 107 VAL HG13 . 17414 1 993 . 1 1 107 107 VAL HG21 H 1 0.833 0.020 . 2 . . . A 107 VAL HG21 . 17414 1 994 . 1 1 107 107 VAL HG22 H 1 0.833 0.020 . 2 . . . A 107 VAL HG22 . 17414 1 995 . 1 1 107 107 VAL HG23 H 1 0.833 0.020 . 2 . . . A 107 VAL HG23 . 17414 1 996 . 1 1 107 107 VAL CA C 13 61.369 0.042 . 1 . . . A 107 VAL CA . 17414 1 997 . 1 1 107 107 VAL CB C 13 33.633 0.156 . 1 . . . A 107 VAL CB . 17414 1 998 . 1 1 107 107 VAL N N 15 122.160 0.138 . 1 . . . A 107 VAL N . 17414 1 999 . 1 1 108 108 ILE H H 1 8.694 0.023 . 1 . . . A 108 ILE H . 17414 1 1000 . 1 1 108 108 ILE HA H 1 4.100 0.027 . 1 . . . A 108 ILE HA . 17414 1 1001 . 1 1 108 108 ILE HB H 1 2.013 0.028 . 1 . . . A 108 ILE HB . 17414 1 1002 . 1 1 108 108 ILE HG21 H 1 0.835 0.012 . 1 . . . A 108 ILE HG21 . 17414 1 1003 . 1 1 108 108 ILE HG22 H 1 0.835 0.012 . 1 . . . A 108 ILE HG22 . 17414 1 1004 . 1 1 108 108 ILE HG23 H 1 0.835 0.012 . 1 . . . A 108 ILE HG23 . 17414 1 1005 . 1 1 108 108 ILE HD11 H 1 0.630 0.023 . 1 . . . A 108 ILE HD11 . 17414 1 1006 . 1 1 108 108 ILE HD12 H 1 0.630 0.023 . 1 . . . A 108 ILE HD12 . 17414 1 1007 . 1 1 108 108 ILE HD13 H 1 0.630 0.023 . 1 . . . A 108 ILE HD13 . 17414 1 1008 . 1 1 108 108 ILE CA C 13 61.321 0.026 . 1 . . . A 108 ILE CA . 17414 1 1009 . 1 1 108 108 ILE CB C 13 37.408 0.034 . 1 . . . A 108 ILE CB . 17414 1 1010 . 1 1 108 108 ILE N N 15 123.427 0.087 . 1 . . . A 108 ILE N . 17414 1 1011 . 1 1 109 109 ARG H H 1 9.431 0.021 . 1 . . . A 109 ARG H . 17414 1 1012 . 1 1 109 109 ARG HA H 1 4.254 0.025 . 1 . . . A 109 ARG HA . 17414 1 1013 . 1 1 109 109 ARG HB2 H 1 1.563 0.172 . 2 . . . A 109 ARG HB2 . 17414 1 1014 . 1 1 109 109 ARG HB3 H 1 1.430 0.022 . 2 . . . A 109 ARG HB3 . 17414 1 1015 . 1 1 109 109 ARG HG2 H 1 0.600 0.001 . 2 . . . A 109 ARG HG2 . 17414 1 1016 . 1 1 109 109 ARG HG3 H 1 0.796 0.012 . 2 . . . A 109 ARG HG3 . 17414 1 1017 . 1 1 109 109 ARG HD2 H 1 3.131 0.026 . 2 . . . A 109 ARG HD2 . 17414 1 1018 . 1 1 109 109 ARG CA C 13 55.904 0.047 . 1 . . . A 109 ARG CA . 17414 1 1019 . 1 1 109 109 ARG N N 15 130.207 0.066 . 1 . . . A 109 ARG N . 17414 1 1020 . 1 1 110 110 GLU H H 1 7.574 0.014 . 1 . . . A 110 GLU H . 17414 1 1021 . 1 1 110 110 GLU HA H 1 4.274 0.020 . 1 . . . A 110 GLU HA . 17414 1 1022 . 1 1 110 110 GLU HB2 H 1 1.974 0.026 . 2 . . . A 110 GLU HB2 . 17414 1 1023 . 1 1 110 110 GLU HB3 H 1 1.766 0.030 . 2 . . . A 110 GLU HB3 . 17414 1 1024 . 1 1 110 110 GLU HG2 H 1 2.200 0.032 . 1 . . . A 110 GLU HG2 . 17414 1 1025 . 1 1 110 110 GLU HG3 H 1 2.200 0.032 . 1 . . . A 110 GLU HG3 . 17414 1 1026 . 1 1 110 110 GLU CA C 13 55.889 0.063 . 1 . . . A 110 GLU CA . 17414 1 1027 . 1 1 110 110 GLU CB C 13 33.186 0.169 . 1 . . . A 110 GLU CB . 17414 1 1028 . 1 1 110 110 GLU N N 15 116.804 0.102 . 1 . . . A 110 GLU N . 17414 1 1029 . 1 1 111 111 VAL H H 1 8.703 0.028 . 1 . . . A 111 VAL H . 17414 1 1030 . 1 1 111 111 VAL HA H 1 4.709 0.028 . 1 . . . A 111 VAL HA . 17414 1 1031 . 1 1 111 111 VAL HB H 1 1.906 0.029 . 1 . . . A 111 VAL HB . 17414 1 1032 . 1 1 111 111 VAL HG11 H 1 0.892 0.039 . 2 . . . A 111 VAL HG11 . 17414 1 1033 . 1 1 111 111 VAL HG12 H 1 0.892 0.039 . 2 . . . A 111 VAL HG12 . 17414 1 1034 . 1 1 111 111 VAL HG13 H 1 0.892 0.039 . 2 . . . A 111 VAL HG13 . 17414 1 1035 . 1 1 111 111 VAL HG21 H 1 0.775 0.026 . 2 . . . A 111 VAL HG21 . 17414 1 1036 . 1 1 111 111 VAL HG22 H 1 0.775 0.026 . 2 . . . A 111 VAL HG22 . 17414 1 1037 . 1 1 111 111 VAL HG23 H 1 0.775 0.026 . 2 . . . A 111 VAL HG23 . 17414 1 1038 . 1 1 111 111 VAL CA C 13 60.903 0.017 . 1 . . . A 111 VAL CA . 17414 1 1039 . 1 1 111 111 VAL CB C 13 31.927 0.043 . 1 . . . A 111 VAL CB . 17414 1 1040 . 1 1 111 111 VAL N N 15 125.709 0.079 . 1 . . . A 111 VAL N . 17414 1 1041 . 1 1 112 112 LEU H H 1 9.829 0.033 . 1 . . . A 112 LEU H . 17414 1 1042 . 1 1 112 112 LEU HA H 1 4.741 0.026 . 1 . . . A 112 LEU HA . 17414 1 1043 . 1 1 112 112 LEU HB2 H 1 1.065 0.068 . 2 . . . A 112 LEU HB2 . 17414 1 1044 . 1 1 112 112 LEU HB3 H 1 1.807 0.016 . 2 . . . A 112 LEU HB3 . 17414 1 1045 . 1 1 112 112 LEU HG H 1 1.484 0.027 . 1 . . . A 112 LEU HG . 17414 1 1046 . 1 1 112 112 LEU HD11 H 1 0.833 0.013 . 2 . . . A 112 LEU HD11 . 17414 1 1047 . 1 1 112 112 LEU HD12 H 1 0.833 0.013 . 2 . . . A 112 LEU HD12 . 17414 1 1048 . 1 1 112 112 LEU HD13 H 1 0.833 0.013 . 2 . . . A 112 LEU HD13 . 17414 1 1049 . 1 1 112 112 LEU HD21 H 1 0.667 0.024 . 2 . . . A 112 LEU HD21 . 17414 1 1050 . 1 1 112 112 LEU HD22 H 1 0.667 0.024 . 2 . . . A 112 LEU HD22 . 17414 1 1051 . 1 1 112 112 LEU HD23 H 1 0.667 0.024 . 2 . . . A 112 LEU HD23 . 17414 1 1052 . 1 1 112 112 LEU CA C 13 52.655 0.125 . 1 . . . A 112 LEU CA . 17414 1 1053 . 1 1 112 112 LEU CB C 13 40.998 0.101 . 1 . . . A 112 LEU CB . 17414 1 1054 . 1 1 112 112 LEU CG C 13 27.976 0.656 . 1 . . . A 112 LEU CG . 17414 1 1055 . 1 1 112 112 LEU CD1 C 13 23.675 0.000 . 2 . . . A 112 LEU CD1 . 17414 1 1056 . 1 1 112 112 LEU CD2 C 13 25.237 0.000 . 2 . . . A 112 LEU CD2 . 17414 1 1057 . 1 1 112 112 LEU N N 15 132.638 0.086 . 1 . . . A 112 LEU N . 17414 1 1058 . 1 1 113 113 PRO HA H 1 4.532 0.015 . 1 . . . A 113 PRO HA . 17414 1 1059 . 1 1 113 113 PRO HB2 H 1 2.459 0.015 . 2 . . . A 113 PRO HB2 . 17414 1 1060 . 1 1 113 113 PRO HB3 H 1 2.107 0.014 . 2 . . . A 113 PRO HB3 . 17414 1 1061 . 1 1 113 113 PRO HG2 H 1 2.273 0.000 . 2 . . . A 113 PRO HG2 . 17414 1 1062 . 1 1 113 113 PRO HD2 H 1 3.943 0.029 . 2 . . . A 113 PRO HD2 . 17414 1 1063 . 1 1 113 113 PRO HD3 H 1 3.745 0.007 . 2 . . . A 113 PRO HD3 . 17414 1 1064 . 1 1 113 113 PRO CA C 13 61.916 0.133 . 1 . . . A 113 PRO CA . 17414 1 1065 . 1 1 113 113 PRO CB C 13 32.608 0.069 . 1 . . . A 113 PRO CB . 17414 1 1066 . 1 1 113 113 PRO CG C 13 27.510 0.000 . 1 . . . A 113 PRO CG . 17414 1 1067 . 1 1 114 114 THR H H 1 7.689 0.014 . 1 . . . A 114 THR H . 17414 1 1068 . 1 1 114 114 THR HA H 1 4.973 0.028 . 1 . . . A 114 THR HA . 17414 1 1069 . 1 1 114 114 THR HB H 1 3.918 0.044 . 1 . . . A 114 THR HB . 17414 1 1070 . 1 1 114 114 THR HG21 H 1 1.161 0.020 . 1 . . . A 114 THR HG21 . 17414 1 1071 . 1 1 114 114 THR HG22 H 1 1.161 0.020 . 1 . . . A 114 THR HG22 . 17414 1 1072 . 1 1 114 114 THR HG23 H 1 1.161 0.020 . 1 . . . A 114 THR HG23 . 17414 1 1073 . 1 1 114 114 THR CA C 13 61.865 0.055 . 1 . . . A 114 THR CA . 17414 1 1074 . 1 1 114 114 THR CB C 13 69.345 0.000 . 1 . . . A 114 THR CB . 17414 1 1075 . 1 1 114 114 THR N N 15 112.542 0.134 . 1 . . . A 114 THR N . 17414 1 1076 . 1 1 115 115 ARG H H 1 9.112 0.007 . 1 . . . A 115 ARG H . 17414 1 1077 . 1 1 115 115 ARG HA H 1 4.694 0.025 . 1 . . . A 115 ARG HA . 17414 1 1078 . 1 1 115 115 ARG HB2 H 1 1.624 0.037 . 2 . . . A 115 ARG HB2 . 17414 1 1079 . 1 1 115 115 ARG HB3 H 1 1.260 0.010 . 2 . . . A 115 ARG HB3 . 17414 1 1080 . 1 1 115 115 ARG HG2 H 1 1.207 0.041 . 2 . . . A 115 ARG HG2 . 17414 1 1081 . 1 1 115 115 ARG HG3 H 1 0.784 0.027 . 2 . . . A 115 ARG HG3 . 17414 1 1082 . 1 1 115 115 ARG HD2 H 1 2.603 0.017 . 2 . . . A 115 ARG HD2 . 17414 1 1083 . 1 1 115 115 ARG HD3 H 1 2.302 0.020 . 2 . . . A 115 ARG HD3 . 17414 1 1084 . 1 1 115 115 ARG HE H 1 2.876 0.020 . 1 . . . A 115 ARG HE . 17414 1 1085 . 1 1 115 115 ARG CA C 13 54.302 0.000 . 1 . . . A 115 ARG CA . 17414 1 1086 . 1 1 115 115 ARG CB C 13 32.684 0.000 . 1 . . . A 115 ARG CB . 17414 1 1087 . 1 1 115 115 ARG CG C 13 25.599 0.470 . 1 . . . A 115 ARG CG . 17414 1 1088 . 1 1 115 115 ARG CD C 13 42.797 0.012 . 1 . . . A 115 ARG CD . 17414 1 1089 . 1 1 115 115 ARG N N 15 123.213 0.066 . 1 . . . A 115 ARG N . 17414 1 1090 . 1 1 115 115 ARG NE N 15 124.495 0.657 . 1 . . . A 115 ARG NE . 17414 1 1091 . 1 1 116 116 ARG H H 1 8.351 0.017 . 1 . . . A 116 ARG H . 17414 1 1092 . 1 1 116 116 ARG HA H 1 4.879 0.050 . 1 . . . A 116 ARG HA . 17414 1 1093 . 1 1 116 116 ARG HB2 H 1 1.595 0.032 . 2 . . . A 116 ARG HB2 . 17414 1 1094 . 1 1 116 116 ARG HB3 H 1 1.411 0.036 . 2 . . . A 116 ARG HB3 . 17414 1 1095 . 1 1 116 116 ARG HG2 H 1 1.575 0.023 . 2 . . . A 116 ARG HG2 . 17414 1 1096 . 1 1 116 116 ARG HD2 H 1 3.155 0.024 . 2 . . . A 116 ARG HD2 . 17414 1 1097 . 1 1 116 116 ARG HD3 H 1 3.031 0.027 . 2 . . . A 116 ARG HD3 . 17414 1 1098 . 1 1 116 116 ARG CA C 13 54.554 0.160 . 1 . . . A 116 ARG CA . 17414 1 1099 . 1 1 116 116 ARG CB C 13 30.285 0.026 . 1 . . . A 116 ARG CB . 17414 1 1100 . 1 1 116 116 ARG CG C 13 26.246 0.000 . 1 . . . A 116 ARG CG . 17414 1 1101 . 1 1 116 116 ARG CD C 13 42.090 0.453 . 1 . . . A 116 ARG CD . 17414 1 1102 . 1 1 116 116 ARG N N 15 119.004 0.102 . 1 . . . A 116 ARG N . 17414 1 1103 . 1 1 117 117 ALA H H 1 8.686 0.050 . 1 . . . A 117 ALA H . 17414 1 1104 . 1 1 117 117 ALA HA H 1 4.599 0.034 . 1 . . . A 117 ALA HA . 17414 1 1105 . 1 1 117 117 ALA HB1 H 1 1.230 0.021 . 1 . . . A 117 ALA HB1 . 17414 1 1106 . 1 1 117 117 ALA HB2 H 1 1.230 0.021 . 1 . . . A 117 ALA HB2 . 17414 1 1107 . 1 1 117 117 ALA HB3 H 1 1.230 0.021 . 1 . . . A 117 ALA HB3 . 17414 1 1108 . 1 1 117 117 ALA CA C 13 50.434 0.029 . 1 . . . A 117 ALA CA . 17414 1 1109 . 1 1 117 117 ALA CB C 13 23.139 0.033 . 1 . . . A 117 ALA CB . 17414 1 1110 . 1 1 117 117 ALA N N 15 124.834 0.145 . 1 . . . A 117 ALA N . 17414 1 1111 . 1 1 118 118 ARG H H 1 8.697 0.031 . 1 . . . A 118 ARG H . 17414 1 1112 . 1 1 118 118 ARG HA H 1 3.925 0.042 . 1 . . . A 118 ARG HA . 17414 1 1113 . 1 1 118 118 ARG HB2 H 1 1.929 0.004 . 2 . . . A 118 ARG HB2 . 17414 1 1114 . 1 1 118 118 ARG HB3 H 1 1.830 0.042 . 2 . . . A 118 ARG HB3 . 17414 1 1115 . 1 1 118 118 ARG HG2 H 1 1.607 0.010 . 2 . . . A 118 ARG HG2 . 17414 1 1116 . 1 1 118 118 ARG HG3 H 1 1.187 0.000 . 2 . . . A 118 ARG HG3 . 17414 1 1117 . 1 1 118 118 ARG HD2 H 1 3.194 0.042 . 2 . . . A 118 ARG HD2 . 17414 1 1118 . 1 1 118 118 ARG CA C 13 57.559 0.042 . 1 . . . A 118 ARG CA . 17414 1 1119 . 1 1 118 118 ARG CB C 13 30.409 0.000 . 1 . . . A 118 ARG CB . 17414 1 1120 . 1 1 118 118 ARG N N 15 120.885 0.070 . 1 . . . A 118 ARG N . 17414 1 1121 . 1 1 119 119 THR H H 1 7.683 0.067 . 1 . . . A 119 THR H . 17414 1 1122 . 1 1 119 119 THR HA H 1 5.309 0.026 . 1 . . . A 119 THR HA . 17414 1 1123 . 1 1 119 119 THR HB H 1 3.692 0.017 . 1 . . . A 119 THR HB . 17414 1 1124 . 1 1 119 119 THR HG21 H 1 0.861 0.020 . 1 . . . A 119 THR HG21 . 17414 1 1125 . 1 1 119 119 THR HG22 H 1 0.861 0.020 . 1 . . . A 119 THR HG22 . 17414 1 1126 . 1 1 119 119 THR HG23 H 1 0.861 0.020 . 1 . . . A 119 THR HG23 . 17414 1 1127 . 1 1 119 119 THR CA C 13 60.071 0.084 . 1 . . . A 119 THR CA . 17414 1 1128 . 1 1 119 119 THR CB C 13 72.737 0.068 . 1 . . . A 119 THR CB . 17414 1 1129 . 1 1 119 119 THR N N 15 111.492 0.176 . 1 . . . A 119 THR N . 17414 1 1130 . 1 1 120 120 PHE H H 1 8.884 0.081 . 1 . . . A 120 PHE H . 17414 1 1131 . 1 1 120 120 PHE HA H 1 5.311 0.041 . 1 . . . A 120 PHE HA . 17414 1 1132 . 1 1 120 120 PHE HB2 H 1 3.391 0.028 . 2 . . . A 120 PHE HB2 . 17414 1 1133 . 1 1 120 120 PHE HB3 H 1 2.541 0.040 . 2 . . . A 120 PHE HB3 . 17414 1 1134 . 1 1 120 120 PHE HD1 H 1 7.344 0.019 . 1 . . . A 120 PHE HD1 . 17414 1 1135 . 1 1 120 120 PHE HD2 H 1 7.344 0.019 . 1 . . . A 120 PHE HD2 . 17414 1 1136 . 1 1 120 120 PHE CA C 13 57.898 0.053 . 1 . . . A 120 PHE CA . 17414 1 1137 . 1 1 120 120 PHE CB C 13 46.203 0.062 . 1 . . . A 120 PHE CB . 17414 1 1138 . 1 1 120 120 PHE N N 15 113.949 0.373 . 1 . . . A 120 PHE N . 17414 1 1139 . 1 1 121 121 ASP H H 1 9.351 0.003 . 1 . . . A 121 ASP H . 17414 1 1140 . 1 1 121 121 ASP HA H 1 5.352 0.034 . 1 . . . A 121 ASP HA . 17414 1 1141 . 1 1 121 121 ASP HB2 H 1 3.035 0.017 . 2 . . . A 121 ASP HB2 . 17414 1 1142 . 1 1 121 121 ASP HB3 H 1 2.460 0.020 . 2 . . . A 121 ASP HB3 . 17414 1 1143 . 1 1 121 121 ASP CA C 13 55.227 0.000 . 1 . . . A 121 ASP CA . 17414 1 1144 . 1 1 121 121 ASP CB C 13 47.673 0.000 . 1 . . . A 121 ASP CB . 17414 1 1145 . 1 1 121 121 ASP N N 15 118.841 0.053 . 1 . . . A 121 ASP N . 17414 1 1146 . 1 1 122 122 LEU H H 1 8.514 0.208 . 1 . . . A 122 LEU H . 17414 1 1147 . 1 1 122 122 LEU HA H 1 4.809 0.032 . 1 . . . A 122 LEU HA . 17414 1 1148 . 1 1 122 122 LEU HB2 H 1 1.404 0.034 . 2 . . . A 122 LEU HB2 . 17414 1 1149 . 1 1 122 122 LEU HB3 H 1 1.303 0.019 . 2 . . . A 122 LEU HB3 . 17414 1 1150 . 1 1 122 122 LEU HG H 1 1.577 0.004 . 1 . . . A 122 LEU HG . 17414 1 1151 . 1 1 122 122 LEU HD11 H 1 1.020 0.027 . 2 . . . A 122 LEU HD11 . 17414 1 1152 . 1 1 122 122 LEU HD12 H 1 1.020 0.027 . 2 . . . A 122 LEU HD12 . 17414 1 1153 . 1 1 122 122 LEU HD13 H 1 1.020 0.027 . 2 . . . A 122 LEU HD13 . 17414 1 1154 . 1 1 122 122 LEU HD21 H 1 0.803 0.017 . 2 . . . A 122 LEU HD21 . 17414 1 1155 . 1 1 122 122 LEU HD22 H 1 0.803 0.017 . 2 . . . A 122 LEU HD22 . 17414 1 1156 . 1 1 122 122 LEU HD23 H 1 0.803 0.017 . 2 . . . A 122 LEU HD23 . 17414 1 1157 . 1 1 122 122 LEU CB C 13 45.915 0.051 . 1 . . . A 122 LEU CB . 17414 1 1158 . 1 1 122 122 LEU N N 15 118.637 0.321 . 1 . . . A 122 LEU N . 17414 1 1159 . 1 1 123 123 GLU H H 1 7.137 0.088 . 1 . . . A 123 GLU H . 17414 1 1160 . 1 1 123 123 GLU HA H 1 4.515 0.026 . 1 . . . A 123 GLU HA . 17414 1 1161 . 1 1 123 123 GLU HB2 H 1 1.604 0.025 . 2 . . . A 123 GLU HB2 . 17414 1 1162 . 1 1 123 123 GLU HB3 H 1 1.220 0.000 . 2 . . . A 123 GLU HB3 . 17414 1 1163 . 1 1 123 123 GLU HG2 H 1 2.134 0.020 . 2 . . . A 123 GLU HG2 . 17414 1 1164 . 1 1 123 123 GLU HG3 H 1 1.812 0.000 . 2 . . . A 123 GLU HG3 . 17414 1 1165 . 1 1 123 123 GLU CA C 13 54.697 0.047 . 1 . . . A 123 GLU CA . 17414 1 1166 . 1 1 123 123 GLU N N 15 118.694 0.249 . 1 . . . A 123 GLU N . 17414 1 1167 . 1 1 124 124 VAL H H 1 8.762 0.038 . 1 . . . A 124 VAL H . 17414 1 1168 . 1 1 124 124 VAL HA H 1 4.065 0.031 . 1 . . . A 124 VAL HA . 17414 1 1169 . 1 1 124 124 VAL HB H 1 1.557 0.074 . 1 . . . A 124 VAL HB . 17414 1 1170 . 1 1 124 124 VAL HG11 H 1 0.951 0.005 . 2 . . . A 124 VAL HG11 . 17414 1 1171 . 1 1 124 124 VAL HG12 H 1 0.951 0.005 . 2 . . . A 124 VAL HG12 . 17414 1 1172 . 1 1 124 124 VAL HG13 H 1 0.951 0.005 . 2 . . . A 124 VAL HG13 . 17414 1 1173 . 1 1 124 124 VAL HG21 H 1 0.830 0.016 . 2 . . . A 124 VAL HG21 . 17414 1 1174 . 1 1 124 124 VAL HG22 H 1 0.830 0.016 . 2 . . . A 124 VAL HG22 . 17414 1 1175 . 1 1 124 124 VAL HG23 H 1 0.830 0.016 . 2 . . . A 124 VAL HG23 . 17414 1 1176 . 1 1 124 124 VAL CA C 13 61.193 0.008 . 1 . . . A 124 VAL CA . 17414 1 1177 . 1 1 124 124 VAL CB C 13 33.607 0.269 . 1 . . . A 124 VAL CB . 17414 1 1178 . 1 1 124 124 VAL CG1 C 13 20.478 0.168 . 2 . . . A 124 VAL CG1 . 17414 1 1179 . 1 1 124 124 VAL CG2 C 13 21.726 0.919 . 2 . . . A 124 VAL CG2 . 17414 1 1180 . 1 1 124 124 VAL N N 15 129.259 0.114 . 1 . . . A 124 VAL N . 17414 1 1181 . 1 1 125 125 GLU H H 1 8.037 0.012 . 1 . . . A 125 GLU H . 17414 1 1182 . 1 1 125 125 GLU HA H 1 3.672 0.032 . 1 . . . A 125 GLU HA . 17414 1 1183 . 1 1 125 125 GLU HB2 H 1 2.119 0.009 . 2 . . . A 125 GLU HB2 . 17414 1 1184 . 1 1 125 125 GLU CA C 13 58.494 0.000 . 1 . . . A 125 GLU CA . 17414 1 1185 . 1 1 125 125 GLU CB C 13 30.552 0.000 . 1 . . . A 125 GLU CB . 17414 1 1186 . 1 1 125 125 GLU N N 15 128.432 0.093 . 1 . . . A 125 GLU N . 17414 1 1187 . 1 1 126 126 GLU H H 1 8.505 0.010 . 1 . . . A 126 GLU H . 17414 1 1188 . 1 1 126 126 GLU HA H 1 3.570 0.035 . 1 . . . A 126 GLU HA . 17414 1 1189 . 1 1 126 126 GLU HB2 H 1 2.638 0.015 . 2 . . . A 126 GLU HB2 . 17414 1 1190 . 1 1 126 126 GLU HB3 H 1 1.957 0.025 . 2 . . . A 126 GLU HB3 . 17414 1 1191 . 1 1 126 126 GLU HG2 H 1 2.281 0.008 . 2 . . . A 126 GLU HG2 . 17414 1 1192 . 1 1 126 126 GLU HG3 H 1 1.840 0.004 . 2 . . . A 126 GLU HG3 . 17414 1 1193 . 1 1 126 126 GLU CA C 13 61.229 0.062 . 1 . . . A 126 GLU CA . 17414 1 1194 . 1 1 126 126 GLU CB C 13 29.621 0.278 . 1 . . . A 126 GLU CB . 17414 1 1195 . 1 1 126 126 GLU CG C 13 35.092 0.033 . 1 . . . A 126 GLU CG . 17414 1 1196 . 1 1 126 126 GLU N N 15 120.993 0.097 . 1 . . . A 126 GLU N . 17414 1 1197 . 1 1 127 127 LEU H H 1 9.417 0.013 . 1 . . . A 127 LEU H . 17414 1 1198 . 1 1 127 127 LEU HA H 1 4.205 0.015 . 1 . . . A 127 LEU HA . 17414 1 1199 . 1 1 127 127 LEU HB2 H 1 1.514 0.016 . 2 . . . A 127 LEU HB2 . 17414 1 1200 . 1 1 127 127 LEU HB3 H 1 1.292 0.003 . 2 . . . A 127 LEU HB3 . 17414 1 1201 . 1 1 127 127 LEU HG H 1 1.545 0.016 . 1 . . . A 127 LEU HG . 17414 1 1202 . 1 1 127 127 LEU HD11 H 1 0.772 0.019 . 2 . . . A 127 LEU HD11 . 17414 1 1203 . 1 1 127 127 LEU HD12 H 1 0.772 0.019 . 2 . . . A 127 LEU HD12 . 17414 1 1204 . 1 1 127 127 LEU HD13 H 1 0.772 0.019 . 2 . . . A 127 LEU HD13 . 17414 1 1205 . 1 1 127 127 LEU HD21 H 1 0.614 0.000 . 2 . . . A 127 LEU HD21 . 17414 1 1206 . 1 1 127 127 LEU HD22 H 1 0.614 0.000 . 2 . . . A 127 LEU HD22 . 17414 1 1207 . 1 1 127 127 LEU HD23 H 1 0.614 0.000 . 2 . . . A 127 LEU HD23 . 17414 1 1208 . 1 1 127 127 LEU CA C 13 55.681 0.041 . 1 . . . A 127 LEU CA . 17414 1 1209 . 1 1 127 127 LEU N N 15 120.945 0.136 . 1 . . . A 127 LEU N . 17414 1 1210 . 1 1 128 128 HIS HA H 1 4.584 0.035 . 1 . . . A 128 HIS HA . 17414 1 1211 . 1 1 128 128 HIS HB2 H 1 3.183 0.019 . 1 . . . A 128 HIS HB2 . 17414 1 1212 . 1 1 128 128 HIS HD2 H 1 7.211 0.000 . 1 . . . A 128 HIS HD2 . 17414 1 1213 . 1 1 128 128 HIS CA C 13 54.566 0.000 . 1 . . . A 128 HIS CA . 17414 1 1214 . 1 1 128 128 HIS CB C 13 26.062 0.000 . 1 . . . A 128 HIS CB . 17414 1 1215 . 1 1 129 129 THR H H 1 6.925 0.026 . 1 . . . A 129 THR H . 17414 1 1216 . 1 1 129 129 THR HA H 1 4.899 0.037 . 1 . . . A 129 THR HA . 17414 1 1217 . 1 1 129 129 THR HB H 1 4.481 0.018 . 1 . . . A 129 THR HB . 17414 1 1218 . 1 1 129 129 THR HG21 H 1 1.436 0.021 . 1 . . . A 129 THR HG21 . 17414 1 1219 . 1 1 129 129 THR HG22 H 1 1.436 0.021 . 1 . . . A 129 THR HG22 . 17414 1 1220 . 1 1 129 129 THR HG23 H 1 1.436 0.021 . 1 . . . A 129 THR HG23 . 17414 1 1221 . 1 1 129 129 THR CA C 13 58.380 0.030 . 1 . . . A 129 THR CA . 17414 1 1222 . 1 1 129 129 THR CB C 13 72.980 0.040 . 1 . . . A 129 THR CB . 17414 1 1223 . 1 1 129 129 THR N N 15 105.639 0.127 . 1 . . . A 129 THR N . 17414 1 1224 . 1 1 130 130 LEU H H 1 9.060 0.058 . 1 . . . A 130 LEU H . 17414 1 1225 . 1 1 130 130 LEU HA H 1 5.537 0.031 . 1 . . . A 130 LEU HA . 17414 1 1226 . 1 1 130 130 LEU HB2 H 1 1.983 0.014 . 1 . . . A 130 LEU HB2 . 17414 1 1227 . 1 1 130 130 LEU HB3 H 1 1.504 0.019 . 1 . . . A 130 LEU HB3 . 17414 1 1228 . 1 1 130 130 LEU HG H 1 0.815 0.017 . 1 . . . A 130 LEU HG . 17414 1 1229 . 1 1 130 130 LEU HD11 H 1 1.548 0.000 . 2 . . . A 130 LEU HD11 . 17414 1 1230 . 1 1 130 130 LEU HD12 H 1 1.548 0.000 . 2 . . . A 130 LEU HD12 . 17414 1 1231 . 1 1 130 130 LEU HD13 H 1 1.548 0.000 . 2 . . . A 130 LEU HD13 . 17414 1 1232 . 1 1 130 130 LEU CA C 13 54.683 0.052 . 1 . . . A 130 LEU CA . 17414 1 1233 . 1 1 130 130 LEU CB C 13 44.277 0.170 . 1 . . . A 130 LEU CB . 17414 1 1234 . 1 1 130 130 LEU CG C 13 27.322 0.069 . 1 . . . A 130 LEU CG . 17414 1 1235 . 1 1 130 130 LEU CD1 C 13 25.897 0.000 . 2 . . . A 130 LEU CD1 . 17414 1 1236 . 1 1 130 130 LEU N N 15 111.598 0.067 . 1 . . . A 130 LEU N . 17414 1 1237 . 1 1 131 131 VAL H H 1 7.506 0.040 . 1 . . . A 131 VAL H . 17414 1 1238 . 1 1 131 131 VAL HA H 1 4.830 0.036 . 1 . . . A 131 VAL HA . 17414 1 1239 . 1 1 131 131 VAL HB H 1 2.273 0.025 . 1 . . . A 131 VAL HB . 17414 1 1240 . 1 1 131 131 VAL HG11 H 1 0.761 0.026 . 2 . . . A 131 VAL HG11 . 17414 1 1241 . 1 1 131 131 VAL HG12 H 1 0.761 0.026 . 2 . . . A 131 VAL HG12 . 17414 1 1242 . 1 1 131 131 VAL HG13 H 1 0.761 0.026 . 2 . . . A 131 VAL HG13 . 17414 1 1243 . 1 1 131 131 VAL HG21 H 1 0.643 0.027 . 2 . . . A 131 VAL HG21 . 17414 1 1244 . 1 1 131 131 VAL HG22 H 1 0.643 0.027 . 2 . . . A 131 VAL HG22 . 17414 1 1245 . 1 1 131 131 VAL HG23 H 1 0.643 0.027 . 2 . . . A 131 VAL HG23 . 17414 1 1246 . 1 1 131 131 VAL CA C 13 61.285 0.072 . 1 . . . A 131 VAL CA . 17414 1 1247 . 1 1 131 131 VAL CB C 13 30.272 0.000 . 1 . . . A 131 VAL CB . 17414 1 1248 . 1 1 131 131 VAL CG1 C 13 22.094 0.126 . 2 . . . A 131 VAL CG1 . 17414 1 1249 . 1 1 131 131 VAL N N 15 119.670 0.149 . 1 . . . A 131 VAL N . 17414 1 1250 . 1 1 132 132 ALA H H 1 9.714 0.017 . 1 . . . A 132 ALA H . 17414 1 1251 . 1 1 132 132 ALA HA H 1 4.931 0.044 . 1 . . . A 132 ALA HA . 17414 1 1252 . 1 1 132 132 ALA HB1 H 1 1.160 0.021 . 1 . . . A 132 ALA HB1 . 17414 1 1253 . 1 1 132 132 ALA HB2 H 1 1.160 0.021 . 1 . . . A 132 ALA HB2 . 17414 1 1254 . 1 1 132 132 ALA HB3 H 1 1.160 0.021 . 1 . . . A 132 ALA HB3 . 17414 1 1255 . 1 1 132 132 ALA CA C 13 49.999 0.038 . 1 . . . A 132 ALA CA . 17414 1 1256 . 1 1 132 132 ALA CB C 13 21.422 0.000 . 1 . . . A 132 ALA CB . 17414 1 1257 . 1 1 132 132 ALA N N 15 134.824 0.173 . 1 . . . A 132 ALA N . 17414 1 1258 . 1 1 133 133 GLU H H 1 9.084 0.027 . 1 . . . A 133 GLU H . 17414 1 1259 . 1 1 133 133 GLU HA H 1 3.826 0.023 . 1 . . . A 133 GLU HA . 17414 1 1260 . 1 1 133 133 GLU HB2 H 1 2.558 0.024 . 2 . . . A 133 GLU HB2 . 17414 1 1261 . 1 1 133 133 GLU HB3 H 1 2.135 0.018 . 2 . . . A 133 GLU HB3 . 17414 1 1262 . 1 1 133 133 GLU HG2 H 1 2.944 0.020 . 2 . . . A 133 GLU HG2 . 17414 1 1263 . 1 1 133 133 GLU HG3 H 1 2.515 0.022 . 2 . . . A 133 GLU HG3 . 17414 1 1264 . 1 1 133 133 GLU CA C 13 57.065 0.015 . 1 . . . A 133 GLU CA . 17414 1 1265 . 1 1 133 133 GLU CB C 13 26.406 0.010 . 1 . . . A 133 GLU CB . 17414 1 1266 . 1 1 133 133 GLU CG C 13 35.851 0.011 . 1 . . . A 133 GLU CG . 17414 1 1267 . 1 1 133 133 GLU N N 15 118.979 0.344 . 1 . . . A 133 GLU N . 17414 1 1268 . 1 1 134 134 GLY H H 1 7.230 0.031 . 1 . . . A 134 GLY H . 17414 1 1269 . 1 1 134 134 GLY HA2 H 1 4.205 0.021 . 2 . . . A 134 GLY HA2 . 17414 1 1270 . 1 1 134 134 GLY HA3 H 1 3.341 0.024 . 2 . . . A 134 GLY HA3 . 17414 1 1271 . 1 1 134 134 GLY CA C 13 45.352 0.087 . 1 . . . A 134 GLY CA . 17414 1 1272 . 1 1 134 134 GLY N N 15 100.017 0.077 . 1 . . . A 134 GLY N . 17414 1 1273 . 1 1 135 135 VAL H H 1 8.061 0.021 . 1 . . . A 135 VAL H . 17414 1 1274 . 1 1 135 135 VAL HA H 1 4.560 0.021 . 1 . . . A 135 VAL HA . 17414 1 1275 . 1 1 135 135 VAL HB H 1 2.243 0.049 . 1 . . . A 135 VAL HB . 17414 1 1276 . 1 1 135 135 VAL HG11 H 1 0.916 0.054 . 1 . . . A 135 VAL HG11 . 17414 1 1277 . 1 1 135 135 VAL HG12 H 1 0.916 0.054 . 1 . . . A 135 VAL HG12 . 17414 1 1278 . 1 1 135 135 VAL HG13 H 1 0.916 0.054 . 1 . . . A 135 VAL HG13 . 17414 1 1279 . 1 1 135 135 VAL HG21 H 1 0.854 0.028 . 1 . . . A 135 VAL HG21 . 17414 1 1280 . 1 1 135 135 VAL HG22 H 1 0.854 0.028 . 1 . . . A 135 VAL HG22 . 17414 1 1281 . 1 1 135 135 VAL HG23 H 1 0.854 0.028 . 1 . . . A 135 VAL HG23 . 17414 1 1282 . 1 1 135 135 VAL CA C 13 60.885 0.066 . 1 . . . A 135 VAL CA . 17414 1 1283 . 1 1 135 135 VAL CB C 13 32.542 0.455 . 1 . . . A 135 VAL CB . 17414 1 1284 . 1 1 135 135 VAL CG2 C 13 21.960 0.000 . 2 . . . A 135 VAL CG2 . 17414 1 1285 . 1 1 135 135 VAL N N 15 122.381 0.084 . 1 . . . A 135 VAL N . 17414 1 1286 . 1 1 136 136 VAL H H 1 8.297 0.017 . 1 . . . A 136 VAL H . 17414 1 1287 . 1 1 136 136 VAL HA H 1 4.254 0.026 . 1 . . . A 136 VAL HA . 17414 1 1288 . 1 1 136 136 VAL HB H 1 1.989 0.029 . 1 . . . A 136 VAL HB . 17414 1 1289 . 1 1 136 136 VAL HG11 H 1 0.832 0.012 . 1 . . . A 136 VAL HG11 . 17414 1 1290 . 1 1 136 136 VAL HG12 H 1 0.832 0.012 . 1 . . . A 136 VAL HG12 . 17414 1 1291 . 1 1 136 136 VAL HG13 H 1 0.832 0.012 . 1 . . . A 136 VAL HG13 . 17414 1 1292 . 1 1 136 136 VAL HG21 H 1 0.624 0.027 . 1 . . . A 136 VAL HG21 . 17414 1 1293 . 1 1 136 136 VAL HG22 H 1 0.624 0.027 . 1 . . . A 136 VAL HG22 . 17414 1 1294 . 1 1 136 136 VAL HG23 H 1 0.624 0.027 . 1 . . . A 136 VAL HG23 . 17414 1 1295 . 1 1 136 136 VAL CA C 13 63.608 0.024 . 1 . . . A 136 VAL CA . 17414 1 1296 . 1 1 136 136 VAL CB C 13 30.519 0.861 . 1 . . . A 136 VAL CB . 17414 1 1297 . 1 1 136 136 VAL CG2 C 13 19.834 0.815 . 2 . . . A 136 VAL CG2 . 17414 1 1298 . 1 1 136 136 VAL N N 15 126.302 0.097 . 1 . . . A 136 VAL N . 17414 1 1299 . 1 1 137 137 VAL H H 1 9.373 0.021 . 1 . . . A 137 VAL H . 17414 1 1300 . 1 1 137 137 VAL HA H 1 5.743 0.028 . 1 . . . A 137 VAL HA . 17414 1 1301 . 1 1 137 137 VAL HB H 1 2.787 0.019 . 1 . . . A 137 VAL HB . 17414 1 1302 . 1 1 137 137 VAL HG11 H 1 1.170 0.015 . 1 . . . A 137 VAL HG11 . 17414 1 1303 . 1 1 137 137 VAL HG12 H 1 1.170 0.015 . 1 . . . A 137 VAL HG12 . 17414 1 1304 . 1 1 137 137 VAL HG13 H 1 1.170 0.015 . 1 . . . A 137 VAL HG13 . 17414 1 1305 . 1 1 137 137 VAL HG21 H 1 1.109 0.006 . 2 . . . A 137 VAL HG21 . 17414 1 1306 . 1 1 137 137 VAL HG22 H 1 1.109 0.006 . 2 . . . A 137 VAL HG22 . 17414 1 1307 . 1 1 137 137 VAL HG23 H 1 1.109 0.006 . 2 . . . A 137 VAL HG23 . 17414 1 1308 . 1 1 137 137 VAL CA C 13 58.252 0.059 . 1 . . . A 137 VAL CA . 17414 1 1309 . 1 1 137 137 VAL CB C 13 36.378 0.255 . 1 . . . A 137 VAL CB . 17414 1 1310 . 1 1 137 137 VAL CG2 C 13 22.834 0.033 . 1 . . . A 137 VAL CG2 . 17414 1 1311 . 1 1 137 137 VAL N N 15 118.757 0.247 . 1 . . . A 137 VAL N . 17414 1 1312 . 1 1 138 138 HIS H H 1 8.531 0.037 . 1 . . . A 138 HIS H . 17414 1 1313 . 1 1 138 138 HIS HA H 1 4.434 0.051 . 1 . . . A 138 HIS HA . 17414 1 1314 . 1 1 138 138 HIS HB2 H 1 2.889 0.063 . 2 . . . A 138 HIS HB2 . 17414 1 1315 . 1 1 138 138 HIS HB3 H 1 2.487 0.021 . 2 . . . A 138 HIS HB3 . 17414 1 1316 . 1 1 138 138 HIS HD2 H 1 6.346 0.000 . 1 . . . A 138 HIS HD2 . 17414 1 1317 . 1 1 138 138 HIS CA C 13 56.439 0.019 . 1 . . . A 138 HIS CA . 17414 1 1318 . 1 1 138 138 HIS CB C 13 30.583 0.042 . 1 . . . A 138 HIS CB . 17414 1 1319 . 1 1 138 138 HIS N N 15 120.902 0.373 . 1 . . . A 138 HIS N . 17414 1 1320 . 1 1 139 139 ASN H H 1 7.868 0.051 . 1 . . . A 139 ASN H . 17414 1 1321 . 1 1 139 139 ASN HA H 1 4.177 0.034 . 1 . . . A 139 ASN HA . 17414 1 1322 . 1 1 139 139 ASN HB2 H 1 3.278 0.041 . 2 . . . A 139 ASN HB2 . 17414 1 1323 . 1 1 139 139 ASN HB3 H 1 1.917 0.027 . 2 . . . A 139 ASN HB3 . 17414 1 1324 . 1 1 139 139 ASN HD21 H 1 7.359 0.003 . 2 . . . A 139 ASN HD21 . 17414 1 1325 . 1 1 139 139 ASN HD22 H 1 8.132 0.016 . 2 . . . A 139 ASN HD22 . 17414 1 1326 . 1 1 139 139 ASN CA C 13 55.599 0.000 . 1 . . . A 139 ASN CA . 17414 1 1327 . 1 1 139 139 ASN CB C 13 38.931 0.091 . 1 . . . A 139 ASN CB . 17414 1 1328 . 1 1 139 139 ASN N N 15 126.624 0.238 . 1 . . . A 139 ASN N . 17414 1 1329 . 1 1 139 139 ASN ND2 N 15 114.203 0.096 . 1 . . . A 139 ASN ND2 . 17414 1 stop_ save_