data_17939 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17939 _Entry.Title ; a protein from Haloferax volcanii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-14 _Entry.Accession_date 2011-09-14 _Entry.Last_release_date 2012-10-09 _Entry.Original_release_date 2012-10-09 _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 'NMR, 20 STRUCTURES' _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 Wen Zhang . . . 17939 2 Shanhui Liao . . . 17939 3 Kai Fan . . . 17939 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' . 17939 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Ubiquitin like protein' . 17939 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17939 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 98 17939 '15N chemical shifts' 55 17939 '1H chemical shifts' 339 17939 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 . . 2012-10-09 2011-09-15 original author . 17939 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LJI 'BMRB Entry Tracking System' 17939 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17939 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'structure of a protein from Haloferax volcanii' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shanhui Liao . . . 17939 1 2 Wen Zhang . . . 17939 1 3 Kai Fan . . . 17939 1 4 Xiaoming Tu . . . 17939 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17939 _Assembly.ID 1 _Assembly.Name 'a protein from Haloferax volcanii' _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 'a protein from Haloferax volcanii' 1 $Halo_volc A . yes native no no . . . 17939 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Halo_volc _Entity.Sf_category entity _Entity.Sf_framecode Halo_volc _Entity.Entry_ID 17939 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'a protein from Haloferax volcanii' _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 ; MNVTVEVVGEETSEVAVDDD GTYADLVRAVDLSPHEVTVL VDGRPVPEDQSVEVDRVKVL RLIKGGMNVTVEVVGEETSE VAVDDDGTYADLVRAVDLSP HEVTVLVDGRPVPEDQSVEV DRVKVLRLIKGG ; _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14231.962 _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 17204 . ubiquitin-like_small_archaeal_modifier_protein . . . . . 50.00 74 100.00 100.00 2.31e-34 . . . . 17939 1 2 no PDB 2L32 . "Solution Structure Of Ubiquitin-Like Small Archaeal Modifier Protein In Haloferax Volcanii" . . . . . 50.00 74 100.00 100.00 2.31e-34 . . . . 17939 1 3 no PDB 2LJI . "Structure Of A Protein From Haloferax Volcanii" . . . . . 50.00 74 100.00 100.00 2.31e-34 . . . . 17939 1 4 no GB ADE03392 . "ubiquitin-like modifier protein SAMP2 [Haloferax volcanii DS2]" . . . . . 50.00 66 100.00 100.00 3.56e-34 . . . . 17939 1 5 no GB AKU06380 . "small archaeal modifier protein 2 [Haloferax gibbonsii]" . . . . . 50.00 66 96.97 96.97 2.77e-32 . . . . 17939 1 6 no GB ELK50451 . "hypothetical protein D320_16929 [Haloferax sp. BAB2207]" . . . . . 50.00 66 98.48 98.48 3.45e-33 . . . . 17939 1 7 no GB ELY23894 . "hypothetical protein C498_19264 [Haloferax volcanii DS2]" . . . . . 50.00 66 100.00 100.00 3.56e-34 . . . . 17939 1 8 no GB ELZ70132 . "hypothetical protein C456_17012 [Haloferax lucentense DSM 14919]" . . . . . 50.00 66 96.97 96.97 2.77e-32 . . . . 17939 1 9 no REF WP_004045316 . "hypothetical protein [Haloferax volcanii]" . . . . . 50.00 66 100.00 100.00 3.56e-34 . . . . 17939 1 10 no REF WP_004065555 . "MULTISPECIES: hypothetical protein [Haloferax]" . . . . . 50.00 66 96.97 96.97 2.77e-32 . . . . 17939 1 11 no REF WP_008609462 . "hypothetical protein [Haloferax sp. BAB2207]" . . . . . 50.00 66 98.48 98.48 3.45e-33 . . . . 17939 1 12 no SP D4GZE7 . "RecName: Full=Small archaeal modifier protein 2; Short=SAMP2; AltName: Full=Ubiquitin-like small archaeal modifier protein 2" . . . . . 50.00 66 100.00 100.00 3.56e-34 . . . . 17939 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 . MET . 17939 1 2 . ASN . 17939 1 3 . VAL . 17939 1 4 . THR . 17939 1 5 . VAL . 17939 1 6 . GLU . 17939 1 7 . VAL . 17939 1 8 . VAL . 17939 1 9 . GLY . 17939 1 10 . GLU . 17939 1 11 . GLU . 17939 1 12 . THR . 17939 1 13 . SER . 17939 1 14 . GLU . 17939 1 15 . VAL . 17939 1 16 . ALA . 17939 1 17 . VAL . 17939 1 18 . ASP . 17939 1 19 . ASP . 17939 1 20 . ASP . 17939 1 21 . GLY . 17939 1 22 . THR . 17939 1 23 . TYR . 17939 1 24 . ALA . 17939 1 25 . ASP . 17939 1 26 . LEU . 17939 1 27 . VAL . 17939 1 28 . ARG . 17939 1 29 . ALA . 17939 1 30 . VAL . 17939 1 31 . ASP . 17939 1 32 . LEU . 17939 1 33 . SER . 17939 1 34 . PRO . 17939 1 35 . HIS . 17939 1 36 . GLU . 17939 1 37 . VAL . 17939 1 38 . THR . 17939 1 39 . VAL . 17939 1 40 . LEU . 17939 1 41 . VAL . 17939 1 42 . ASP . 17939 1 43 . GLY . 17939 1 44 . ARG . 17939 1 45 . PRO . 17939 1 46 . VAL . 17939 1 47 . PRO . 17939 1 48 . GLU . 17939 1 49 . ASP . 17939 1 50 . GLN . 17939 1 51 . SER . 17939 1 52 . VAL . 17939 1 53 . GLU . 17939 1 54 . VAL . 17939 1 55 . ASP . 17939 1 56 . ARG . 17939 1 57 . VAL . 17939 1 58 . LYS . 17939 1 59 . VAL . 17939 1 60 . LEU . 17939 1 61 . ARG . 17939 1 62 . LEU . 17939 1 63 . ILE . 17939 1 64 . LYS . 17939 1 65 . GLY . 17939 1 66 . GLY . 17939 1 67 . MET . 17939 1 68 . ASN . 17939 1 69 . VAL . 17939 1 70 . THR . 17939 1 71 . VAL . 17939 1 72 . GLU . 17939 1 73 . VAL . 17939 1 74 . VAL . 17939 1 75 . GLY . 17939 1 76 . GLU . 17939 1 77 . GLU . 17939 1 78 . THR . 17939 1 79 . SER . 17939 1 80 . GLU . 17939 1 81 . VAL . 17939 1 82 . ALA . 17939 1 83 . VAL . 17939 1 84 . ASP . 17939 1 85 . ASP . 17939 1 86 . ASP . 17939 1 87 . GLY . 17939 1 88 . THR . 17939 1 89 . TYR . 17939 1 90 . ALA . 17939 1 91 . ASP . 17939 1 92 . LEU . 17939 1 93 . VAL . 17939 1 94 . ARG . 17939 1 95 . ALA . 17939 1 96 . VAL . 17939 1 97 . ASP . 17939 1 98 . LEU . 17939 1 99 . SER . 17939 1 100 . PRO . 17939 1 101 . HIS . 17939 1 102 . GLU . 17939 1 103 . VAL . 17939 1 104 . THR . 17939 1 105 . VAL . 17939 1 106 . LEU . 17939 1 107 . VAL . 17939 1 108 . ASP . 17939 1 109 . GLY . 17939 1 110 . ARG . 17939 1 111 . PRO . 17939 1 112 . VAL . 17939 1 113 . PRO . 17939 1 114 . GLU . 17939 1 115 . ASP . 17939 1 116 . GLN . 17939 1 117 . SER . 17939 1 118 . VAL . 17939 1 119 . GLU . 17939 1 120 . VAL . 17939 1 121 . ASP . 17939 1 122 . ARG . 17939 1 123 . VAL . 17939 1 124 . LYS . 17939 1 125 . VAL . 17939 1 126 . LEU . 17939 1 127 . ARG . 17939 1 128 . LEU . 17939 1 129 . ILE . 17939 1 130 . LYS . 17939 1 131 . GLY . 17939 1 132 . GLY . 17939 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17939 1 . ASN 2 2 17939 1 . VAL 3 3 17939 1 . THR 4 4 17939 1 . VAL 5 5 17939 1 . GLU 6 6 17939 1 . VAL 7 7 17939 1 . VAL 8 8 17939 1 . GLY 9 9 17939 1 . GLU 10 10 17939 1 . GLU 11 11 17939 1 . THR 12 12 17939 1 . SER 13 13 17939 1 . GLU 14 14 17939 1 . VAL 15 15 17939 1 . ALA 16 16 17939 1 . VAL 17 17 17939 1 . ASP 18 18 17939 1 . ASP 19 19 17939 1 . ASP 20 20 17939 1 . GLY 21 21 17939 1 . THR 22 22 17939 1 . TYR 23 23 17939 1 . ALA 24 24 17939 1 . ASP 25 25 17939 1 . LEU 26 26 17939 1 . VAL 27 27 17939 1 . ARG 28 28 17939 1 . ALA 29 29 17939 1 . VAL 30 30 17939 1 . ASP 31 31 17939 1 . LEU 32 32 17939 1 . SER 33 33 17939 1 . PRO 34 34 17939 1 . HIS 35 35 17939 1 . GLU 36 36 17939 1 . VAL 37 37 17939 1 . THR 38 38 17939 1 . VAL 39 39 17939 1 . LEU 40 40 17939 1 . VAL 41 41 17939 1 . ASP 42 42 17939 1 . GLY 43 43 17939 1 . ARG 44 44 17939 1 . PRO 45 45 17939 1 . VAL 46 46 17939 1 . PRO 47 47 17939 1 . GLU 48 48 17939 1 . ASP 49 49 17939 1 . GLN 50 50 17939 1 . SER 51 51 17939 1 . VAL 52 52 17939 1 . GLU 53 53 17939 1 . VAL 54 54 17939 1 . ASP 55 55 17939 1 . ARG 56 56 17939 1 . VAL 57 57 17939 1 . LYS 58 58 17939 1 . VAL 59 59 17939 1 . LEU 60 60 17939 1 . ARG 61 61 17939 1 . LEU 62 62 17939 1 . ILE 63 63 17939 1 . LYS 64 64 17939 1 . GLY 65 65 17939 1 . GLY 66 66 17939 1 . MET 67 67 17939 1 . ASN 68 68 17939 1 . VAL 69 69 17939 1 . THR 70 70 17939 1 . VAL 71 71 17939 1 . GLU 72 72 17939 1 . VAL 73 73 17939 1 . VAL 74 74 17939 1 . GLY 75 75 17939 1 . GLU 76 76 17939 1 . GLU 77 77 17939 1 . THR 78 78 17939 1 . SER 79 79 17939 1 . GLU 80 80 17939 1 . VAL 81 81 17939 1 . ALA 82 82 17939 1 . VAL 83 83 17939 1 . ASP 84 84 17939 1 . ASP 85 85 17939 1 . ASP 86 86 17939 1 . GLY 87 87 17939 1 . THR 88 88 17939 1 . TYR 89 89 17939 1 . ALA 90 90 17939 1 . ASP 91 91 17939 1 . LEU 92 92 17939 1 . VAL 93 93 17939 1 . ARG 94 94 17939 1 . ALA 95 95 17939 1 . VAL 96 96 17939 1 . ASP 97 97 17939 1 . LEU 98 98 17939 1 . SER 99 99 17939 1 . PRO 100 100 17939 1 . HIS 101 101 17939 1 . GLU 102 102 17939 1 . VAL 103 103 17939 1 . THR 104 104 17939 1 . VAL 105 105 17939 1 . LEU 106 106 17939 1 . VAL 107 107 17939 1 . ASP 108 108 17939 1 . GLY 109 109 17939 1 . ARG 110 110 17939 1 . PRO 111 111 17939 1 . VAL 112 112 17939 1 . PRO 113 113 17939 1 . GLU 114 114 17939 1 . ASP 115 115 17939 1 . GLN 116 116 17939 1 . SER 117 117 17939 1 . VAL 118 118 17939 1 . GLU 119 119 17939 1 . VAL 120 120 17939 1 . ASP 121 121 17939 1 . ARG 122 122 17939 1 . VAL 123 123 17939 1 . LYS 124 124 17939 1 . VAL 125 125 17939 1 . LEU 126 126 17939 1 . ARG 127 127 17939 1 . LEU 128 128 17939 1 . ILE 129 129 17939 1 . LYS 130 130 17939 1 . GLY 131 131 17939 1 . GLY 132 132 17939 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 17939 _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 $Halo_volc . 2246 organism . 'Haloferax volcanii' 'Haloferax volcanii' . . Archaea . Haloferax volcanii . . . . . . . . . . . . . . . . . . . . . 17939 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 17939 _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 $Halo_volc . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PET22b . . . . . . 17939 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17939 _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 'a protein from Haloferax volcanii' [15N;13C] . . 1 $Halo_volc . . 0.6 . . mM . . . . 17939 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17939 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17939 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17939 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17939 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17939 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'a protein from Haloferax volcanii' [15N;13C] . . 1 $Halo_volc . . 0.6 . . mM . . . . 17939 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17939 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17939 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17939 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17939 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 . M 17939 1 pH 6.5 . pH 17939 1 pressure 1 . atm 17939 1 temperature 293 . K 17939 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17939 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17939 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17939 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17939 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17939 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17939 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17939 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17939 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 17939 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17939 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17939 _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 DMX . 500 . . . 17939 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 17939 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17939 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17939 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17939 1 4 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17939 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17939 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17939 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17939 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17939 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 17939 _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 . . . . . . . . . 17939 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17939 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17939 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 17939 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 17939 _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 2 '3D CBCA(CO)NH' . . . 17939 1 3 '3D HNCACB' . . . 17939 1 4 '3D H(CCO)NH' . . . 17939 1 5 '3D HBHA(CO)NH' . . . 17939 1 7 '3D HCCH-TOCSY' . . . 17939 1 8 '2D 1H-15N HSQC' . . . 17939 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 MET HA H 1 4.125 0.01 . . . . . A 1 MET HA . 17939 1 2 . 1 1 2 2 ASN H H 1 8.971 0.01 . . . . . A 2 ASN H . 17939 1 3 . 1 1 2 2 ASN HA H 1 5.513 0.01 . . . . . A 2 ASN HA . 17939 1 4 . 1 1 2 2 ASN HB2 H 1 2.660 0.01 . . . . . A 2 ASN HB2 . 17939 1 5 . 1 1 2 2 ASN HB3 H 1 2.660 0.01 . . . . . A 2 ASN HB3 . 17939 1 6 . 1 1 2 2 ASN CA C 13 52.999 0.1 . . . . . A 2 ASN CA . 17939 1 7 . 1 1 2 2 ASN CB C 13 39.634 0.1 . . . . . A 2 ASN CB . 17939 1 8 . 1 1 2 2 ASN N N 15 124.164 0.01 . . . . . A 2 ASN N . 17939 1 9 . 1 1 3 3 VAL H H 1 9.224 0.01 . . . . . A 3 VAL H . 17939 1 10 . 1 1 3 3 VAL HA H 1 4.355 0.01 . . . . . A 3 VAL HA . 17939 1 11 . 1 1 3 3 VAL HB H 1 1.750 0.01 . . . . . A 3 VAL HB . 17939 1 12 . 1 1 3 3 VAL HG11 H 1 0.843 0.01 . . . . . A 3 VAL HG11 . 17939 1 13 . 1 1 3 3 VAL HG12 H 1 0.843 0.01 . . . . . A 3 VAL HG12 . 17939 1 14 . 1 1 3 3 VAL HG13 H 1 0.843 0.01 . . . . . A 3 VAL HG13 . 17939 1 15 . 1 1 3 3 VAL HG21 H 1 0.843 0.01 . . . . . A 3 VAL HG21 . 17939 1 16 . 1 1 3 3 VAL HG22 H 1 0.843 0.01 . . . . . A 3 VAL HG22 . 17939 1 17 . 1 1 3 3 VAL HG23 H 1 0.843 0.01 . . . . . A 3 VAL HG23 . 17939 1 18 . 1 1 3 3 VAL CA C 13 61.075 0.1 . . . . . A 3 VAL CA . 17939 1 19 . 1 1 3 3 VAL CB C 13 35.355 0.1 . . . . . A 3 VAL CB . 17939 1 20 . 1 1 3 3 VAL N N 15 124.563 0.01 . . . . . A 3 VAL N . 17939 1 21 . 1 1 4 4 THR H H 1 8.689 0.01 . . . . . A 4 THR H . 17939 1 22 . 1 1 4 4 THR HA H 1 4.614 0.01 . . . . . A 4 THR HA . 17939 1 23 . 1 1 4 4 THR HB H 1 4.085 0.01 . . . . . A 4 THR HB . 17939 1 24 . 1 1 4 4 THR HG21 H 1 1.127 0.01 . . . . . A 4 THR HG21 . 17939 1 25 . 1 1 4 4 THR HG22 H 1 1.127 0.01 . . . . . A 4 THR HG22 . 17939 1 26 . 1 1 4 4 THR HG23 H 1 1.127 0.01 . . . . . A 4 THR HG23 . 17939 1 27 . 1 1 4 4 THR CA C 13 64.242 0.1 . . . . . A 4 THR CA . 17939 1 28 . 1 1 4 4 THR CB C 13 69.615 0.1 . . . . . A 4 THR CB . 17939 1 29 . 1 1 4 4 THR N N 15 124.879 0.01 . . . . . A 4 THR N . 17939 1 30 . 1 1 5 5 VAL H H 1 9.445 0.01 . . . . . A 5 VAL H . 17939 1 31 . 1 1 5 5 VAL HA H 1 4.272 0.01 . . . . . A 5 VAL HA . 17939 1 32 . 1 1 5 5 VAL HB H 1 2.077 0.01 . . . . . A 5 VAL HB . 17939 1 33 . 1 1 5 5 VAL HG11 H 1 0.784 0.01 . . . . . A 5 VAL HG11 . 17939 1 34 . 1 1 5 5 VAL HG12 H 1 0.784 0.01 . . . . . A 5 VAL HG12 . 17939 1 35 . 1 1 5 5 VAL HG13 H 1 0.784 0.01 . . . . . A 5 VAL HG13 . 17939 1 36 . 1 1 5 5 VAL HG21 H 1 0.784 0.01 . . . . . A 5 VAL HG21 . 17939 1 37 . 1 1 5 5 VAL HG22 H 1 0.784 0.01 . . . . . A 5 VAL HG22 . 17939 1 38 . 1 1 5 5 VAL HG23 H 1 0.784 0.01 . . . . . A 5 VAL HG23 . 17939 1 39 . 1 1 5 5 VAL CA C 13 61.607 0.1 . . . . . A 5 VAL CA . 17939 1 40 . 1 1 5 5 VAL CB C 13 32.524 0.1 . . . . . A 5 VAL CB . 17939 1 41 . 1 1 5 5 VAL N N 15 129.059 0.01 . . . . . A 5 VAL N . 17939 1 42 . 1 1 6 6 GLU H H 1 8.490 0.01 . . . . . A 6 GLU H . 17939 1 43 . 1 1 6 6 GLU HA H 1 4.757 0.01 . . . . . A 6 GLU HA . 17939 1 44 . 1 1 6 6 GLU HB2 H 1 1.901 0.01 . . . . . A 6 GLU HB2 . 17939 1 45 . 1 1 6 6 GLU HB3 H 1 2.200 0.01 . . . . . A 6 GLU HB3 . 17939 1 46 . 1 1 6 6 GLU HG2 H 1 1.850 0.01 . . . . . A 6 GLU HG2 . 17939 1 47 . 1 1 6 6 GLU HG3 H 1 2.289 0.01 . . . . . A 6 GLU HG3 . 17939 1 48 . 1 1 6 6 GLU CA C 13 54.970 0.1 . . . . . A 6 GLU CA . 17939 1 49 . 1 1 6 6 GLU CB C 13 30.817 0.1 . . . . . A 6 GLU CB . 17939 1 50 . 1 1 6 6 GLU N N 15 129.140 0.01 . . . . . A 6 GLU N . 17939 1 51 . 1 1 7 7 VAL H H 1 8.340 0.01 . . . . . A 7 VAL H . 17939 1 52 . 1 1 7 7 VAL HA H 1 4.583 0.01 . . . . . A 7 VAL HA . 17939 1 53 . 1 1 7 7 VAL HB H 1 2.398 0.01 . . . . . A 7 VAL HB . 17939 1 54 . 1 1 7 7 VAL HG11 H 1 0.927 0.01 . . . . . A 7 VAL HG11 . 17939 1 55 . 1 1 7 7 VAL HG12 H 1 0.927 0.01 . . . . . A 7 VAL HG12 . 17939 1 56 . 1 1 7 7 VAL HG13 H 1 0.927 0.01 . . . . . A 7 VAL HG13 . 17939 1 57 . 1 1 7 7 VAL HG21 H 1 0.856 0.01 . . . . . A 7 VAL HG21 . 17939 1 58 . 1 1 7 7 VAL HG22 H 1 0.856 0.01 . . . . . A 7 VAL HG22 . 17939 1 59 . 1 1 7 7 VAL HG23 H 1 0.856 0.01 . . . . . A 7 VAL HG23 . 17939 1 60 . 1 1 7 7 VAL CA C 13 62.528 0.1 . . . . . A 7 VAL CA . 17939 1 61 . 1 1 7 7 VAL CB C 13 30.183 0.1 . . . . . A 7 VAL CB . 17939 1 62 . 1 1 7 7 VAL N N 15 129.123 0.01 . . . . . A 7 VAL N . 17939 1 63 . 1 1 8 8 VAL H H 1 8.609 0.01 . . . . . A 8 VAL H . 17939 1 64 . 1 1 8 8 VAL HA H 1 3.670 0.01 . . . . . A 8 VAL HA . 17939 1 65 . 1 1 8 8 VAL HB H 1 2.117 0.01 . . . . . A 8 VAL HB . 17939 1 66 . 1 1 8 8 VAL HG11 H 1 0.981 0.01 . . . . . A 8 VAL HG11 . 17939 1 67 . 1 1 8 8 VAL HG12 H 1 0.981 0.01 . . . . . A 8 VAL HG12 . 17939 1 68 . 1 1 8 8 VAL HG13 H 1 0.981 0.01 . . . . . A 8 VAL HG13 . 17939 1 69 . 1 1 8 8 VAL HG21 H 1 0.981 0.01 . . . . . A 8 VAL HG21 . 17939 1 70 . 1 1 8 8 VAL HG22 H 1 0.981 0.01 . . . . . A 8 VAL HG22 . 17939 1 71 . 1 1 8 8 VAL HG23 H 1 0.981 0.01 . . . . . A 8 VAL HG23 . 17939 1 72 . 1 1 8 8 VAL CA C 13 66.458 0.1 . . . . . A 8 VAL CA . 17939 1 73 . 1 1 8 8 VAL CB C 13 31.234 0.1 . . . . . A 8 VAL CB . 17939 1 74 . 1 1 8 8 VAL N N 15 129.891 0.01 . . . . . A 8 VAL N . 17939 1 75 . 1 1 9 9 GLY H H 1 9.128 0.01 . . . . . A 9 GLY H . 17939 1 76 . 1 1 9 9 GLY N N 15 116.667 0.01 . . . . . A 9 GLY N . 17939 1 77 . 1 1 11 11 GLU HA H 1 4.622 0.01 . . . . . A 11 GLU HA . 17939 1 78 . 1 1 11 11 GLU HB2 H 1 2.095 0.01 . . . . . A 11 GLU HB2 . 17939 1 79 . 1 1 11 11 GLU HB3 H 1 2.499 0.01 . . . . . A 11 GLU HB3 . 17939 1 80 . 1 1 11 11 GLU HG2 H 1 2.313 0.01 . . . . . A 11 GLU HG2 . 17939 1 81 . 1 1 11 11 GLU HG3 H 1 2.313 0.01 . . . . . A 11 GLU HG3 . 17939 1 82 . 1 1 12 12 THR H H 1 8.876 0.01 . . . . . A 12 THR H . 17939 1 83 . 1 1 12 12 THR HA H 1 5.353 0.01 . . . . . A 12 THR HA . 17939 1 84 . 1 1 12 12 THR HB H 1 3.989 0.01 . . . . . A 12 THR HB . 17939 1 85 . 1 1 12 12 THR CA C 13 62.307 0.1 . . . . . A 12 THR CA . 17939 1 86 . 1 1 12 12 THR CB C 13 70.669 0.1 . . . . . A 12 THR CB . 17939 1 87 . 1 1 12 12 THR N N 15 120.374 0.01 . . . . . A 12 THR N . 17939 1 88 . 1 1 13 13 SER H H 1 8.850 0.01 . . . . . A 13 SER H . 17939 1 89 . 1 1 13 13 SER HA H 1 4.887 0.01 . . . . . A 13 SER HA . 17939 1 90 . 1 1 13 13 SER HB2 H 1 3.628 0.01 . . . . . A 13 SER HB2 . 17939 1 91 . 1 1 13 13 SER HB3 H 1 3.784 0.01 . . . . . A 13 SER HB3 . 17939 1 92 . 1 1 13 13 SER CA C 13 57.740 0.1 . . . . . A 13 SER CA . 17939 1 93 . 1 1 13 13 SER CB C 13 66.716 0.1 . . . . . A 13 SER CB . 17939 1 94 . 1 1 13 13 SER N N 15 122.186 0.01 . . . . . A 13 SER N . 17939 1 95 . 1 1 14 14 GLU H H 1 8.639 0.01 . . . . . A 14 GLU H . 17939 1 96 . 1 1 14 14 GLU HA H 1 5.042 0.01 . . . . . A 14 GLU HA . 17939 1 97 . 1 1 14 14 GLU HB2 H 1 1.946 0.01 . . . . . A 14 GLU HB2 . 17939 1 98 . 1 1 14 14 GLU HB3 H 1 1.946 0.01 . . . . . A 14 GLU HB3 . 17939 1 99 . 1 1 14 14 GLU HG2 H 1 2.124 0.01 . . . . . A 14 GLU HG2 . 17939 1 100 . 1 1 14 14 GLU HG3 H 1 2.124 0.01 . . . . . A 14 GLU HG3 . 17939 1 101 . 1 1 14 14 GLU CA C 13 55.686 0.1 . . . . . A 14 GLU CA . 17939 1 102 . 1 1 14 14 GLU CB C 13 30.487 0.1 . . . . . A 14 GLU CB . 17939 1 103 . 1 1 14 14 GLU N N 15 122.958 0.01 . . . . . A 14 GLU N . 17939 1 104 . 1 1 15 15 VAL H H 1 9.120 0.01 . . . . . A 15 VAL H . 17939 1 105 . 1 1 15 15 VAL HA H 1 4.472 0.01 . . . . . A 15 VAL HA . 17939 1 106 . 1 1 15 15 VAL HB H 1 1.969 0.01 . . . . . A 15 VAL HB . 17939 1 107 . 1 1 15 15 VAL HG11 H 1 0.801 0.01 . . . . . A 15 VAL HG11 . 17939 1 108 . 1 1 15 15 VAL HG12 H 1 0.801 0.01 . . . . . A 15 VAL HG12 . 17939 1 109 . 1 1 15 15 VAL HG13 H 1 0.801 0.01 . . . . . A 15 VAL HG13 . 17939 1 110 . 1 1 15 15 VAL HG21 H 1 0.801 0.01 . . . . . A 15 VAL HG21 . 17939 1 111 . 1 1 15 15 VAL HG22 H 1 0.801 0.01 . . . . . A 15 VAL HG22 . 17939 1 112 . 1 1 15 15 VAL HG23 H 1 0.801 0.01 . . . . . A 15 VAL HG23 . 17939 1 113 . 1 1 15 15 VAL CA C 13 60.589 0.1 . . . . . A 15 VAL CA . 17939 1 114 . 1 1 15 15 VAL CB C 13 35.210 0.1 . . . . . A 15 VAL CB . 17939 1 115 . 1 1 15 15 VAL N N 15 123.906 0.01 . . . . . A 15 VAL N . 17939 1 116 . 1 1 16 16 ALA H H 1 8.322 0.01 . . . . . A 16 ALA H . 17939 1 117 . 1 1 16 16 ALA HA H 1 5.251 0.01 . . . . . A 16 ALA HA . 17939 1 118 . 1 1 16 16 ALA HB1 H 1 1.299 0.01 . . . . . A 16 ALA HB1 . 17939 1 119 . 1 1 16 16 ALA HB2 H 1 1.299 0.01 . . . . . A 16 ALA HB2 . 17939 1 120 . 1 1 16 16 ALA HB3 H 1 1.299 0.01 . . . . . A 16 ALA HB3 . 17939 1 121 . 1 1 16 16 ALA CA C 13 51.060 0.1 . . . . . A 16 ALA CA . 17939 1 122 . 1 1 16 16 ALA CB C 13 19.434 0.1 . . . . . A 16 ALA CB . 17939 1 123 . 1 1 16 16 ALA N N 15 126.922 0.01 . . . . . A 16 ALA N . 17939 1 124 . 1 1 17 17 VAL H H 1 8.551 0.01 . . . . . A 17 VAL H . 17939 1 125 . 1 1 17 17 VAL HA H 1 4.545 0.01 . . . . . A 17 VAL HA . 17939 1 126 . 1 1 17 17 VAL HB H 1 2.153 0.01 . . . . . A 17 VAL HB . 17939 1 127 . 1 1 17 17 VAL HG11 H 1 0.854 0.01 . . . . . A 17 VAL HG11 . 17939 1 128 . 1 1 17 17 VAL HG12 H 1 0.854 0.01 . . . . . A 17 VAL HG12 . 17939 1 129 . 1 1 17 17 VAL HG13 H 1 0.854 0.01 . . . . . A 17 VAL HG13 . 17939 1 130 . 1 1 17 17 VAL HG21 H 1 0.854 0.01 . . . . . A 17 VAL HG21 . 17939 1 131 . 1 1 17 17 VAL HG22 H 1 0.854 0.01 . . . . . A 17 VAL HG22 . 17939 1 132 . 1 1 17 17 VAL HG23 H 1 0.854 0.01 . . . . . A 17 VAL HG23 . 17939 1 133 . 1 1 17 17 VAL CA C 13 59.556 0.1 . . . . . A 17 VAL CA . 17939 1 134 . 1 1 17 17 VAL CB C 13 35.224 0.1 . . . . . A 17 VAL CB . 17939 1 135 . 1 1 17 17 VAL N N 15 118.038 0.01 . . . . . A 17 VAL N . 17939 1 136 . 1 1 18 18 ASP H H 1 8.572 0.01 . . . . . A 18 ASP H . 17939 1 137 . 1 1 18 18 ASP HA H 1 4.610 0.01 . . . . . A 18 ASP HA . 17939 1 138 . 1 1 18 18 ASP HB2 H 1 2.705 0.01 . . . . . A 18 ASP HB2 . 17939 1 139 . 1 1 18 18 ASP HB3 H 1 2.705 0.01 . . . . . A 18 ASP HB3 . 17939 1 140 . 1 1 18 18 ASP CA C 13 54.590 0.1 . . . . . A 18 ASP CA . 17939 1 141 . 1 1 18 18 ASP CB C 13 41.800 0.1 . . . . . A 18 ASP CB . 17939 1 142 . 1 1 18 18 ASP N N 15 123.842 0.01 . . . . . A 18 ASP N . 17939 1 143 . 1 1 19 19 ASP H H 1 8.672 0.01 . . . . . A 19 ASP H . 17939 1 144 . 1 1 19 19 ASP HA H 1 4.408 0.01 . . . . . A 19 ASP HA . 17939 1 145 . 1 1 19 19 ASP HB2 H 1 2.636 0.01 . . . . . A 19 ASP HB2 . 17939 1 146 . 1 1 19 19 ASP HB3 H 1 2.636 0.01 . . . . . A 19 ASP HB3 . 17939 1 147 . 1 1 19 19 ASP N N 15 120.245 0.01 . . . . . A 19 ASP N . 17939 1 148 . 1 1 20 20 ASP H H 1 8.303 0.01 . . . . . A 20 ASP H . 17939 1 149 . 1 1 20 20 ASP HA H 1 4.760 0.01 . . . . . A 20 ASP HA . 17939 1 150 . 1 1 20 20 ASP HB2 H 1 2.740 0.01 . . . . . A 20 ASP HB2 . 17939 1 151 . 1 1 20 20 ASP HB3 H 1 2.740 0.01 . . . . . A 20 ASP HB3 . 17939 1 152 . 1 1 20 20 ASP CA C 13 53.544 0.1 . . . . . A 20 ASP CA . 17939 1 153 . 1 1 20 20 ASP CB C 13 39.934 0.1 . . . . . A 20 ASP CB . 17939 1 154 . 1 1 20 20 ASP N N 15 116.964 0.01 . . . . . A 20 ASP N . 17939 1 155 . 1 1 21 21 GLY H H 1 8.075 0.01 . . . . . A 21 GLY H . 17939 1 156 . 1 1 21 21 GLY HA2 H 1 3.558 0.01 . . . . . A 21 GLY HA2 . 17939 1 157 . 1 1 21 21 GLY HA3 H 1 4.267 0.01 . . . . . A 21 GLY HA3 . 17939 1 158 . 1 1 21 21 GLY CA C 13 45.504 0.1 . . . . . A 21 GLY CA . 17939 1 159 . 1 1 21 21 GLY N N 15 109.011 0.01 . . . . . A 21 GLY N . 17939 1 160 . 1 1 22 22 THR H H 1 9.061 0.01 . . . . . A 22 THR H . 17939 1 161 . 1 1 22 22 THR HA H 1 5.032 0.01 . . . . . A 22 THR HA . 17939 1 162 . 1 1 22 22 THR HB H 1 4.682 0.01 . . . . . A 22 THR HB . 17939 1 163 . 1 1 22 22 THR CA C 13 60.276 0.1 . . . . . A 22 THR CA . 17939 1 164 . 1 1 22 22 THR CB C 13 73.687 0.1 . . . . . A 22 THR CB . 17939 1 165 . 1 1 22 22 THR N N 15 112.343 0.01 . . . . . A 22 THR N . 17939 1 166 . 1 1 23 23 TYR H H 1 7.916 0.01 . . . . . A 23 TYR H . 17939 1 167 . 1 1 23 23 TYR HA H 1 4.038 0.01 . . . . . A 23 TYR HA . 17939 1 168 . 1 1 23 23 TYR HB2 H 1 2.931 0.01 . . . . . A 23 TYR HB2 . 17939 1 169 . 1 1 23 23 TYR HB3 H 1 3.087 0.01 . . . . . A 23 TYR HB3 . 17939 1 170 . 1 1 23 23 TYR CA C 13 64.560 0.1 . . . . . A 23 TYR CA . 17939 1 171 . 1 1 23 23 TYR CB C 13 37.257 0.1 . . . . . A 23 TYR CB . 17939 1 172 . 1 1 23 23 TYR N N 15 118.473 0.01 . . . . . A 23 TYR N . 17939 1 173 . 1 1 24 24 ALA H H 1 9.102 0.01 . . . . . A 24 ALA H . 17939 1 174 . 1 1 24 24 ALA HA H 1 3.945 0.01 . . . . . A 24 ALA HA . 17939 1 175 . 1 1 24 24 ALA HB1 H 1 1.415 0.01 . . . . . A 24 ALA HB1 . 17939 1 176 . 1 1 24 24 ALA HB2 H 1 1.415 0.01 . . . . . A 24 ALA HB2 . 17939 1 177 . 1 1 24 24 ALA HB3 H 1 1.415 0.01 . . . . . A 24 ALA HB3 . 17939 1 178 . 1 1 24 24 ALA CA C 13 55.858 0.1 . . . . . A 24 ALA CA . 17939 1 179 . 1 1 24 24 ALA CB C 13 17.968 0.1 . . . . . A 24 ALA CB . 17939 1 180 . 1 1 24 24 ALA N N 15 121.801 0.01 . . . . . A 24 ALA N . 17939 1 181 . 1 1 25 25 ASP H H 1 7.607 0.01 . . . . . A 25 ASP H . 17939 1 182 . 1 1 25 25 ASP HA H 1 4.362 0.01 . . . . . A 25 ASP HA . 17939 1 183 . 1 1 25 25 ASP HB2 H 1 2.693 0.01 . . . . . A 25 ASP HB2 . 17939 1 184 . 1 1 25 25 ASP HB3 H 1 3.155 0.01 . . . . . A 25 ASP HB3 . 17939 1 185 . 1 1 25 25 ASP CA C 13 58.006 0.1 . . . . . A 25 ASP CA . 17939 1 186 . 1 1 25 25 ASP CB C 13 40.541 0.1 . . . . . A 25 ASP CB . 17939 1 187 . 1 1 25 25 ASP N N 15 116.991 0.01 . . . . . A 25 ASP N . 17939 1 188 . 1 1 26 26 LEU H H 1 7.668 0.01 . . . . . A 26 LEU H . 17939 1 189 . 1 1 26 26 LEU HA H 1 3.921 0.01 . . . . . A 26 LEU HA . 17939 1 190 . 1 1 26 26 LEU HB2 H 1 1.615 0.01 . . . . . A 26 LEU HB2 . 17939 1 191 . 1 1 26 26 LEU HB3 H 1 2.086 0.01 . . . . . A 26 LEU HB3 . 17939 1 192 . 1 1 26 26 LEU HD11 H 1 0.954 0.01 . . . . . A 26 LEU HD11 . 17939 1 193 . 1 1 26 26 LEU HD12 H 1 0.954 0.01 . . . . . A 26 LEU HD12 . 17939 1 194 . 1 1 26 26 LEU HD13 H 1 0.954 0.01 . . . . . A 26 LEU HD13 . 17939 1 195 . 1 1 26 26 LEU HD21 H 1 0.742 0.01 . . . . . A 26 LEU HD21 . 17939 1 196 . 1 1 26 26 LEU HD22 H 1 0.742 0.01 . . . . . A 26 LEU HD22 . 17939 1 197 . 1 1 26 26 LEU HD23 H 1 0.742 0.01 . . . . . A 26 LEU HD23 . 17939 1 198 . 1 1 26 26 LEU CA C 13 58.069 0.1 . . . . . A 26 LEU CA . 17939 1 199 . 1 1 26 26 LEU CB C 13 41.547 0.1 . . . . . A 26 LEU CB . 17939 1 200 . 1 1 26 26 LEU N N 15 120.211 0.01 . . . . . A 26 LEU N . 17939 1 201 . 1 1 27 27 VAL H H 1 7.520 0.01 . . . . . A 27 VAL H . 17939 1 202 . 1 1 27 27 VAL HA H 1 3.400 0.01 . . . . . A 27 VAL HA . 17939 1 203 . 1 1 27 27 VAL HB H 1 2.119 0.01 . . . . . A 27 VAL HB . 17939 1 204 . 1 1 27 27 VAL HG11 H 1 0.901 0.01 . . . . . A 27 VAL HG11 . 17939 1 205 . 1 1 27 27 VAL HG12 H 1 0.901 0.01 . . . . . A 27 VAL HG12 . 17939 1 206 . 1 1 27 27 VAL HG13 H 1 0.901 0.01 . . . . . A 27 VAL HG13 . 17939 1 207 . 1 1 27 27 VAL HG21 H 1 0.631 0.01 . . . . . A 27 VAL HG21 . 17939 1 208 . 1 1 27 27 VAL HG22 H 1 0.631 0.01 . . . . . A 27 VAL HG22 . 17939 1 209 . 1 1 27 27 VAL HG23 H 1 0.631 0.01 . . . . . A 27 VAL HG23 . 17939 1 210 . 1 1 27 27 VAL CA C 13 66.477 0.1 . . . . . A 27 VAL CA . 17939 1 211 . 1 1 27 27 VAL CB C 13 31.539 0.1 . . . . . A 27 VAL CB . 17939 1 212 . 1 1 27 27 VAL N N 15 116.006 0.01 . . . . . A 27 VAL N . 17939 1 213 . 1 1 28 28 ARG H H 1 8.112 0.01 . . . . . A 28 ARG H . 17939 1 214 . 1 1 28 28 ARG HA H 1 4.461 0.01 . . . . . A 28 ARG HA . 17939 1 215 . 1 1 28 28 ARG HB2 H 1 1.935 0.01 . . . . . A 28 ARG HB2 . 17939 1 216 . 1 1 28 28 ARG HB3 H 1 1.935 0.01 . . . . . A 28 ARG HB3 . 17939 1 217 . 1 1 28 28 ARG HG2 H 1 1.793 0.01 . . . . . A 28 ARG HG2 . 17939 1 218 . 1 1 28 28 ARG HG3 H 1 1.793 0.01 . . . . . A 28 ARG HG3 . 17939 1 219 . 1 1 28 28 ARG CA C 13 59.874 0.1 . . . . . A 28 ARG CA . 17939 1 220 . 1 1 28 28 ARG CB C 13 30.034 0.1 . . . . . A 28 ARG CB . 17939 1 221 . 1 1 28 28 ARG N N 15 117.996 0.01 . . . . . A 28 ARG N . 17939 1 222 . 1 1 29 29 ALA H H 1 7.834 0.01 . . . . . A 29 ALA H . 17939 1 223 . 1 1 29 29 ALA HA H 1 4.326 0.01 . . . . . A 29 ALA HA . 17939 1 224 . 1 1 29 29 ALA HB1 H 1 1.644 0.01 . . . . . A 29 ALA HB1 . 17939 1 225 . 1 1 29 29 ALA HB2 H 1 1.644 0.01 . . . . . A 29 ALA HB2 . 17939 1 226 . 1 1 29 29 ALA HB3 H 1 1.644 0.01 . . . . . A 29 ALA HB3 . 17939 1 227 . 1 1 29 29 ALA CA C 13 54.705 0.1 . . . . . A 29 ALA CA . 17939 1 228 . 1 1 29 29 ALA CB C 13 18.131 0.1 . . . . . A 29 ALA CB . 17939 1 229 . 1 1 29 29 ALA N N 15 122.020 0.01 . . . . . A 29 ALA N . 17939 1 230 . 1 1 30 30 VAL H H 1 7.280 0.01 . . . . . A 30 VAL H . 17939 1 231 . 1 1 30 30 VAL HA H 1 4.594 0.01 . . . . . A 30 VAL HA . 17939 1 232 . 1 1 30 30 VAL HB H 1 2.535 0.01 . . . . . A 30 VAL HB . 17939 1 233 . 1 1 30 30 VAL HG11 H 1 0.858 0.01 . . . . . A 30 VAL HG11 . 17939 1 234 . 1 1 30 30 VAL HG12 H 1 0.858 0.01 . . . . . A 30 VAL HG12 . 17939 1 235 . 1 1 30 30 VAL HG13 H 1 0.858 0.01 . . . . . A 30 VAL HG13 . 17939 1 236 . 1 1 30 30 VAL HG21 H 1 0.858 0.01 . . . . . A 30 VAL HG21 . 17939 1 237 . 1 1 30 30 VAL HG22 H 1 0.858 0.01 . . . . . A 30 VAL HG22 . 17939 1 238 . 1 1 30 30 VAL HG23 H 1 0.858 0.01 . . . . . A 30 VAL HG23 . 17939 1 239 . 1 1 30 30 VAL CA C 13 60.736 0.1 . . . . . A 30 VAL CA . 17939 1 240 . 1 1 30 30 VAL CB C 13 29.817 0.1 . . . . . A 30 VAL CB . 17939 1 241 . 1 1 30 30 VAL N N 15 110.431 0.01 . . . . . A 30 VAL N . 17939 1 242 . 1 1 31 31 ASP H H 1 7.900 0.01 . . . . . A 31 ASP H . 17939 1 243 . 1 1 31 31 ASP HA H 1 4.341 0.01 . . . . . A 31 ASP HA . 17939 1 244 . 1 1 31 31 ASP HB2 H 1 2.725 0.01 . . . . . A 31 ASP HB2 . 17939 1 245 . 1 1 31 31 ASP HB3 H 1 3.062 0.01 . . . . . A 31 ASP HB3 . 17939 1 246 . 1 1 31 31 ASP CA C 13 55.976 0.1 . . . . . A 31 ASP CA . 17939 1 247 . 1 1 31 31 ASP CB C 13 38.855 0.1 . . . . . A 31 ASP CB . 17939 1 248 . 1 1 31 31 ASP N N 15 115.229 0.01 . . . . . A 31 ASP N . 17939 1 249 . 1 1 32 32 LEU H H 1 7.600 0.01 . . . . . A 32 LEU H . 17939 1 250 . 1 1 32 32 LEU HA H 1 4.754 0.01 . . . . . A 32 LEU HA . 17939 1 251 . 1 1 32 32 LEU HB2 H 1 1.156 0.01 . . . . . A 32 LEU HB2 . 17939 1 252 . 1 1 32 32 LEU HB3 H 1 1.442 0.01 . . . . . A 32 LEU HB3 . 17939 1 253 . 1 1 32 32 LEU HD11 H 1 0.836 0.01 . . . . . A 32 LEU HD11 . 17939 1 254 . 1 1 32 32 LEU HD12 H 1 0.836 0.01 . . . . . A 32 LEU HD12 . 17939 1 255 . 1 1 32 32 LEU HD13 H 1 0.836 0.01 . . . . . A 32 LEU HD13 . 17939 1 256 . 1 1 32 32 LEU HD21 H 1 0.771 0.01 . . . . . A 32 LEU HD21 . 17939 1 257 . 1 1 32 32 LEU HD22 H 1 0.771 0.01 . . . . . A 32 LEU HD22 . 17939 1 258 . 1 1 32 32 LEU HD23 H 1 0.771 0.01 . . . . . A 32 LEU HD23 . 17939 1 259 . 1 1 32 32 LEU CA C 13 53.230 0.1 . . . . . A 32 LEU CA . 17939 1 260 . 1 1 32 32 LEU CB C 13 45.435 0.1 . . . . . A 32 LEU CB . 17939 1 261 . 1 1 32 32 LEU N N 15 117.843 0.01 . . . . . A 32 LEU N . 17939 1 262 . 1 1 33 33 SER H H 1 8.563 0.01 . . . . . A 33 SER H . 17939 1 263 . 1 1 33 33 SER N N 15 115.585 0.01 . . . . . A 33 SER N . 17939 1 264 . 1 1 34 34 PRO HA H 1 4.111 0.01 . . . . . A 34 PRO HA . 17939 1 265 . 1 1 34 34 PRO HB2 H 1 2.165 0.01 . . . . . A 34 PRO HB2 . 17939 1 266 . 1 1 34 34 PRO HB3 H 1 1.988 0.01 . . . . . A 34 PRO HB3 . 17939 1 267 . 1 1 35 35 HIS H H 1 7.914 0.01 . . . . . A 35 HIS H . 17939 1 268 . 1 1 35 35 HIS HA H 1 4.738 0.01 . . . . . A 35 HIS HA . 17939 1 269 . 1 1 35 35 HIS HB2 H 1 3.243 0.01 . . . . . A 35 HIS HB2 . 17939 1 270 . 1 1 35 35 HIS HB3 H 1 3.243 0.01 . . . . . A 35 HIS HB3 . 17939 1 271 . 1 1 35 35 HIS CA C 13 57.336 0.1 . . . . . A 35 HIS CA . 17939 1 272 . 1 1 35 35 HIS CB C 13 29.368 0.1 . . . . . A 35 HIS CB . 17939 1 273 . 1 1 35 35 HIS N N 15 111.495 0.01 . . . . . A 35 HIS N . 17939 1 274 . 1 1 36 36 GLU H H 1 7.849 0.01 . . . . . A 36 GLU H . 17939 1 275 . 1 1 36 36 GLU HA H 1 4.543 0.01 . . . . . A 36 GLU HA . 17939 1 276 . 1 1 36 36 GLU HB2 H 1 2.036 0.01 . . . . . A 36 GLU HB2 . 17939 1 277 . 1 1 36 36 GLU HB3 H 1 2.248 0.01 . . . . . A 36 GLU HB3 . 17939 1 278 . 1 1 36 36 GLU HG2 H 1 1.886 0.01 . . . . . A 36 GLU HG2 . 17939 1 279 . 1 1 36 36 GLU HG3 H 1 2.072 0.01 . . . . . A 36 GLU HG3 . 17939 1 280 . 1 1 36 36 GLU CA C 13 55.664 0.1 . . . . . A 36 GLU CA . 17939 1 281 . 1 1 36 36 GLU CB C 13 30.997 0.1 . . . . . A 36 GLU CB . 17939 1 282 . 1 1 36 36 GLU N N 15 117.450 0.01 . . . . . A 36 GLU N . 17939 1 283 . 1 1 37 37 VAL H H 1 7.300 0.01 . . . . . A 37 VAL H . 17939 1 284 . 1 1 37 37 VAL HA H 1 5.400 0.01 . . . . . A 37 VAL HA . 17939 1 285 . 1 1 37 37 VAL HB H 1 2.039 0.01 . . . . . A 37 VAL HB . 17939 1 286 . 1 1 37 37 VAL HG11 H 1 0.762 0.01 . . . . . A 37 VAL HG11 . 17939 1 287 . 1 1 37 37 VAL HG12 H 1 0.762 0.01 . . . . . A 37 VAL HG12 . 17939 1 288 . 1 1 37 37 VAL HG13 H 1 0.762 0.01 . . . . . A 37 VAL HG13 . 17939 1 289 . 1 1 37 37 VAL HG21 H 1 0.762 0.01 . . . . . A 37 VAL HG21 . 17939 1 290 . 1 1 37 37 VAL HG22 H 1 0.762 0.01 . . . . . A 37 VAL HG22 . 17939 1 291 . 1 1 37 37 VAL HG23 H 1 0.762 0.01 . . . . . A 37 VAL HG23 . 17939 1 292 . 1 1 37 37 VAL CA C 13 58.791 0.1 . . . . . A 37 VAL CA . 17939 1 293 . 1 1 37 37 VAL CB C 13 35.934 0.1 . . . . . A 37 VAL CB . 17939 1 294 . 1 1 37 37 VAL N N 15 111.225 0.01 . . . . . A 37 VAL N . 17939 1 295 . 1 1 38 38 THR H H 1 8.798 0.01 . . . . . A 38 THR H . 17939 1 296 . 1 1 38 38 THR HA H 1 4.487 0.01 . . . . . A 38 THR HA . 17939 1 297 . 1 1 38 38 THR HB H 1 3.824 0.01 . . . . . A 38 THR HB . 17939 1 298 . 1 1 38 38 THR HG21 H 1 1.182 0.01 . . . . . A 38 THR HG21 . 17939 1 299 . 1 1 38 38 THR HG22 H 1 1.182 0.01 . . . . . A 38 THR HG22 . 17939 1 300 . 1 1 38 38 THR HG23 H 1 1.182 0.01 . . . . . A 38 THR HG23 . 17939 1 301 . 1 1 38 38 THR CA C 13 62.232 0.1 . . . . . A 38 THR CA . 17939 1 302 . 1 1 38 38 THR CB C 13 72.007 0.1 . . . . . A 38 THR CB . 17939 1 303 . 1 1 38 38 THR N N 15 116.433 0.01 . . . . . A 38 THR N . 17939 1 304 . 1 1 39 39 VAL H H 1 9.239 0.01 . . . . . A 39 VAL H . 17939 1 305 . 1 1 39 39 VAL HA H 1 4.434 0.01 . . . . . A 39 VAL HA . 17939 1 306 . 1 1 39 39 VAL HB H 1 1.889 0.01 . . . . . A 39 VAL HB . 17939 1 307 . 1 1 39 39 VAL HG11 H 1 0.790 0.01 . . . . . A 39 VAL HG11 . 17939 1 308 . 1 1 39 39 VAL HG12 H 1 0.790 0.01 . . . . . A 39 VAL HG12 . 17939 1 309 . 1 1 39 39 VAL HG13 H 1 0.790 0.01 . . . . . A 39 VAL HG13 . 17939 1 310 . 1 1 39 39 VAL HG21 H 1 0.613 0.01 . . . . . A 39 VAL HG21 . 17939 1 311 . 1 1 39 39 VAL HG22 H 1 0.613 0.01 . . . . . A 39 VAL HG22 . 17939 1 312 . 1 1 39 39 VAL HG23 H 1 0.613 0.01 . . . . . A 39 VAL HG23 . 17939 1 313 . 1 1 39 39 VAL CA C 13 62.264 0.1 . . . . . A 39 VAL CA . 17939 1 314 . 1 1 39 39 VAL CB C 13 31.356 0.1 . . . . . A 39 VAL CB . 17939 1 315 . 1 1 39 39 VAL N N 15 128.311 0.01 . . . . . A 39 VAL N . 17939 1 316 . 1 1 40 40 LEU H H 1 9.279 0.01 . . . . . A 40 LEU H . 17939 1 317 . 1 1 40 40 LEU HA H 1 4.868 0.01 . . . . . A 40 LEU HA . 17939 1 318 . 1 1 40 40 LEU HB2 H 1 0.891 0.01 . . . . . A 40 LEU HB2 . 17939 1 319 . 1 1 40 40 LEU HB3 H 1 1.706 0.01 . . . . . A 40 LEU HB3 . 17939 1 320 . 1 1 40 40 LEU HG H 1 1.330 0.01 . . . . . A 40 LEU HG . 17939 1 321 . 1 1 40 40 LEU HD11 H 1 0.721 0.01 . . . . . A 40 LEU HD11 . 17939 1 322 . 1 1 40 40 LEU HD12 H 1 0.721 0.01 . . . . . A 40 LEU HD12 . 17939 1 323 . 1 1 40 40 LEU HD13 H 1 0.721 0.01 . . . . . A 40 LEU HD13 . 17939 1 324 . 1 1 40 40 LEU HD21 H 1 0.488 0.01 . . . . . A 40 LEU HD21 . 17939 1 325 . 1 1 40 40 LEU HD22 H 1 0.488 0.01 . . . . . A 40 LEU HD22 . 17939 1 326 . 1 1 40 40 LEU HD23 H 1 0.488 0.01 . . . . . A 40 LEU HD23 . 17939 1 327 . 1 1 40 40 LEU CA C 13 53.485 0.1 . . . . . A 40 LEU CA . 17939 1 328 . 1 1 40 40 LEU CB C 13 45.310 0.1 . . . . . A 40 LEU CB . 17939 1 329 . 1 1 40 40 LEU N N 15 125.021 0.01 . . . . . A 40 LEU N . 17939 1 330 . 1 1 41 41 VAL H H 1 8.815 0.01 . . . . . A 41 VAL H . 17939 1 331 . 1 1 41 41 VAL HA H 1 4.236 0.01 . . . . . A 41 VAL HA . 17939 1 332 . 1 1 41 41 VAL HB H 1 1.812 0.01 . . . . . A 41 VAL HB . 17939 1 333 . 1 1 41 41 VAL HG11 H 1 1.018 0.01 . . . . . A 41 VAL HG11 . 17939 1 334 . 1 1 41 41 VAL HG12 H 1 1.018 0.01 . . . . . A 41 VAL HG12 . 17939 1 335 . 1 1 41 41 VAL HG13 H 1 1.018 0.01 . . . . . A 41 VAL HG13 . 17939 1 336 . 1 1 41 41 VAL HG21 H 1 0.823 0.01 . . . . . A 41 VAL HG21 . 17939 1 337 . 1 1 41 41 VAL HG22 H 1 0.823 0.01 . . . . . A 41 VAL HG22 . 17939 1 338 . 1 1 41 41 VAL HG23 H 1 0.823 0.01 . . . . . A 41 VAL HG23 . 17939 1 339 . 1 1 41 41 VAL CA C 13 62.256 0.1 . . . . . A 41 VAL CA . 17939 1 340 . 1 1 41 41 VAL CB C 13 34.130 0.1 . . . . . A 41 VAL CB . 17939 1 341 . 1 1 41 41 VAL N N 15 123.055 0.01 . . . . . A 41 VAL N . 17939 1 342 . 1 1 42 42 ASP H H 1 9.288 0.01 . . . . . A 42 ASP H . 17939 1 343 . 1 1 42 42 ASP HA H 1 4.293 0.01 . . . . . A 42 ASP HA . 17939 1 344 . 1 1 42 42 ASP HB2 H 1 2.593 0.01 . . . . . A 42 ASP HB2 . 17939 1 345 . 1 1 42 42 ASP HB3 H 1 3.066 0.01 . . . . . A 42 ASP HB3 . 17939 1 346 . 1 1 42 42 ASP N N 15 129.451 0.01 . . . . . A 42 ASP N . 17939 1 347 . 1 1 43 43 GLY HA2 H 1 3.582 0.01 . . . . . A 43 GLY HA2 . 17939 1 348 . 1 1 43 43 GLY HA3 H 1 4.158 0.01 . . . . . A 43 GLY HA3 . 17939 1 349 . 1 1 44 44 ARG H H 1 7.889 0.01 . . . . . A 44 ARG H . 17939 1 350 . 1 1 44 44 ARG HA H 1 4.981 0.01 . . . . . A 44 ARG HA . 17939 1 351 . 1 1 44 44 ARG HB2 H 1 1.777 0.01 . . . . . A 44 ARG HB2 . 17939 1 352 . 1 1 44 44 ARG HB3 H 1 1.777 0.01 . . . . . A 44 ARG HB3 . 17939 1 353 . 1 1 44 44 ARG N N 15 121.162 0.01 . . . . . A 44 ARG N . 17939 1 354 . 1 1 47 47 PRO CA C 13 62.738 0.1 . . . . . A 47 PRO CA . 17939 1 355 . 1 1 47 47 PRO CB C 13 32.266 0.1 . . . . . A 47 PRO CB . 17939 1 356 . 1 1 48 48 GLU H H 1 8.871 0.01 . . . . . A 48 GLU H . 17939 1 357 . 1 1 48 48 GLU HA H 1 4.142 0.01 . . . . . A 48 GLU HA . 17939 1 358 . 1 1 48 48 GLU HB2 H 1 2.059 0.01 . . . . . A 48 GLU HB2 . 17939 1 359 . 1 1 48 48 GLU HB3 H 1 2.154 0.01 . . . . . A 48 GLU HB3 . 17939 1 360 . 1 1 48 48 GLU HG2 H 1 2.346 0.01 . . . . . A 48 GLU HG2 . 17939 1 361 . 1 1 48 48 GLU HG3 H 1 2.346 0.01 . . . . . A 48 GLU HG3 . 17939 1 362 . 1 1 48 48 GLU CA C 13 59.506 0.1 . . . . . A 48 GLU CA . 17939 1 363 . 1 1 48 48 GLU CB C 13 28.180 0.1 . . . . . A 48 GLU CB . 17939 1 364 . 1 1 48 48 GLU N N 15 120.263 0.01 . . . . . A 48 GLU N . 17939 1 365 . 1 1 49 49 ASP H H 1 8.283 0.01 . . . . . A 49 ASP H . 17939 1 366 . 1 1 49 49 ASP HA H 1 4.829 0.01 . . . . . A 49 ASP HA . 17939 1 367 . 1 1 49 49 ASP HB2 H 1 2.779 0.01 . . . . . A 49 ASP HB2 . 17939 1 368 . 1 1 49 49 ASP HB3 H 1 2.894 0.01 . . . . . A 49 ASP HB3 . 17939 1 369 . 1 1 49 49 ASP CA C 13 53.517 0.1 . . . . . A 49 ASP CA . 17939 1 370 . 1 1 49 49 ASP CB C 13 40.100 0.1 . . . . . A 49 ASP CB . 17939 1 371 . 1 1 49 49 ASP N N 15 114.551 0.01 . . . . . A 49 ASP N . 17939 1 372 . 1 1 50 50 GLN H H 1 7.585 0.01 . . . . . A 50 GLN H . 17939 1 373 . 1 1 50 50 GLN HA H 1 4.431 0.01 . . . . . A 50 GLN HA . 17939 1 374 . 1 1 50 50 GLN HB2 H 1 2.257 0.01 . . . . . A 50 GLN HB2 . 17939 1 375 . 1 1 50 50 GLN HB3 H 1 2.517 0.01 . . . . . A 50 GLN HB3 . 17939 1 376 . 1 1 50 50 GLN N N 15 119.954 0.01 . . . . . A 50 GLN N . 17939 1 377 . 1 1 51 51 SER H H 1 8.312 0.01 . . . . . A 51 SER H . 17939 1 378 . 1 1 51 51 SER HA H 1 4.223 0.01 . . . . . A 51 SER HA . 17939 1 379 . 1 1 51 51 SER HB2 H 1 3.718 0.01 . . . . . A 51 SER HB2 . 17939 1 380 . 1 1 51 51 SER HB3 H 1 3.865 0.01 . . . . . A 51 SER HB3 . 17939 1 381 . 1 1 51 51 SER CA C 13 59.388 0.1 . . . . . A 51 SER CA . 17939 1 382 . 1 1 51 51 SER CB C 13 63.959 0.1 . . . . . A 51 SER CB . 17939 1 383 . 1 1 52 52 VAL H H 1 7.661 0.01 . . . . . A 52 VAL H . 17939 1 384 . 1 1 52 52 VAL HA H 1 2.912 0.01 . . . . . A 52 VAL HA . 17939 1 385 . 1 1 52 52 VAL HB H 1 1.614 0.01 . . . . . A 52 VAL HB . 17939 1 386 . 1 1 52 52 VAL HG11 H 1 0.882 0.01 . . . . . A 52 VAL HG11 . 17939 1 387 . 1 1 52 52 VAL HG12 H 1 0.882 0.01 . . . . . A 52 VAL HG12 . 17939 1 388 . 1 1 52 52 VAL HG13 H 1 0.882 0.01 . . . . . A 52 VAL HG13 . 17939 1 389 . 1 1 52 52 VAL HG21 H 1 0.194 0.01 . . . . . A 52 VAL HG21 . 17939 1 390 . 1 1 52 52 VAL HG22 H 1 0.194 0.01 . . . . . A 52 VAL HG22 . 17939 1 391 . 1 1 52 52 VAL HG23 H 1 0.194 0.01 . . . . . A 52 VAL HG23 . 17939 1 392 . 1 1 52 52 VAL CA C 13 64.426 0.1 . . . . . A 52 VAL CA . 17939 1 393 . 1 1 52 52 VAL CB C 13 30.788 0.1 . . . . . A 52 VAL CB . 17939 1 394 . 1 1 52 52 VAL N N 15 122.000 0.01 . . . . . A 52 VAL N . 17939 1 395 . 1 1 53 53 GLU H H 1 7.702 0.01 . . . . . A 53 GLU H . 17939 1 396 . 1 1 53 53 GLU HA H 1 4.665 0.01 . . . . . A 53 GLU HA . 17939 1 397 . 1 1 53 53 GLU HB2 H 1 1.920 0.01 . . . . . A 53 GLU HB2 . 17939 1 398 . 1 1 53 53 GLU HB3 H 1 2.345 0.01 . . . . . A 53 GLU HB3 . 17939 1 399 . 1 1 53 53 GLU HG2 H 1 2.213 0.01 . . . . . A 53 GLU HG2 . 17939 1 400 . 1 1 53 53 GLU HG3 H 1 2.213 0.01 . . . . . A 53 GLU HG3 . 17939 1 401 . 1 1 53 53 GLU CA C 13 56.131 0.1 . . . . . A 53 GLU CA . 17939 1 402 . 1 1 53 53 GLU CB C 13 32.251 0.1 . . . . . A 53 GLU CB . 17939 1 403 . 1 1 53 53 GLU N N 15 124.531 0.01 . . . . . A 53 GLU N . 17939 1 404 . 1 1 54 54 VAL H H 1 7.045 0.01 . . . . . A 54 VAL H . 17939 1 405 . 1 1 54 54 VAL HA H 1 4.861 0.01 . . . . . A 54 VAL HA . 17939 1 406 . 1 1 54 54 VAL HB H 1 2.543 0.01 . . . . . A 54 VAL HB . 17939 1 407 . 1 1 54 54 VAL HG11 H 1 1.085 0.01 . . . . . A 54 VAL HG11 . 17939 1 408 . 1 1 54 54 VAL HG12 H 1 1.085 0.01 . . . . . A 54 VAL HG12 . 17939 1 409 . 1 1 54 54 VAL HG13 H 1 1.085 0.01 . . . . . A 54 VAL HG13 . 17939 1 410 . 1 1 54 54 VAL HG21 H 1 1.085 0.01 . . . . . A 54 VAL HG21 . 17939 1 411 . 1 1 54 54 VAL HG22 H 1 1.085 0.01 . . . . . A 54 VAL HG22 . 17939 1 412 . 1 1 54 54 VAL HG23 H 1 1.085 0.01 . . . . . A 54 VAL HG23 . 17939 1 413 . 1 1 54 54 VAL CA C 13 60.009 0.1 . . . . . A 54 VAL CA . 17939 1 414 . 1 1 54 54 VAL CB C 13 35.722 0.1 . . . . . A 54 VAL CB . 17939 1 415 . 1 1 54 54 VAL N N 15 111.511 0.01 . . . . . A 54 VAL N . 17939 1 416 . 1 1 55 55 ASP H H 1 8.116 0.01 . . . . . A 55 ASP H . 17939 1 417 . 1 1 55 55 ASP CA C 13 53.901 0.1 . . . . . A 55 ASP CA . 17939 1 418 . 1 1 55 55 ASP CB C 13 41.231 0.1 . . . . . A 55 ASP CB . 17939 1 419 . 1 1 55 55 ASP N N 15 114.847 0.01 . . . . . A 55 ASP N . 17939 1 420 . 1 1 56 56 ARG H H 1 7.307 0.01 . . . . . A 56 ARG H . 17939 1 421 . 1 1 56 56 ARG HA H 1 5.526 0.01 . . . . . A 56 ARG HA . 17939 1 422 . 1 1 56 56 ARG HB2 H 1 1.846 0.01 . . . . . A 56 ARG HB2 . 17939 1 423 . 1 1 56 56 ARG HB3 H 1 1.846 0.01 . . . . . A 56 ARG HB3 . 17939 1 424 . 1 1 56 56 ARG CA C 13 55.803 0.1 . . . . . A 56 ARG CA . 17939 1 425 . 1 1 56 56 ARG CB C 13 32.567 0.1 . . . . . A 56 ARG CB . 17939 1 426 . 1 1 56 56 ARG N N 15 120.611 0.01 . . . . . A 56 ARG N . 17939 1 427 . 1 1 57 57 VAL H H 1 8.597 0.01 . . . . . A 57 VAL H . 17939 1 428 . 1 1 57 57 VAL CA C 13 59.549 0.1 . . . . . A 57 VAL CA . 17939 1 429 . 1 1 57 57 VAL CB C 13 35.775 0.1 . . . . . A 57 VAL CB . 17939 1 430 . 1 1 57 57 VAL N N 15 116.213 0.01 . . . . . A 57 VAL N . 17939 1 431 . 1 1 58 58 LYS H H 1 8.196 0.01 . . . . . A 58 LYS H . 17939 1 432 . 1 1 58 58 LYS HA H 1 5.452 0.01 . . . . . A 58 LYS HA . 17939 1 433 . 1 1 58 58 LYS HB2 H 1 1.668 0.01 . . . . . A 58 LYS HB2 . 17939 1 434 . 1 1 58 58 LYS HB3 H 1 1.668 0.01 . . . . . A 58 LYS HB3 . 17939 1 435 . 1 1 58 58 LYS HG2 H 1 1.329 0.01 . . . . . A 58 LYS HG2 . 17939 1 436 . 1 1 58 58 LYS HG3 H 1 1.329 0.01 . . . . . A 58 LYS HG3 . 17939 1 437 . 1 1 58 58 LYS CA C 13 55.229 0.1 . . . . . A 58 LYS CA . 17939 1 438 . 1 1 58 58 LYS CB C 13 36.265 0.1 . . . . . A 58 LYS CB . 17939 1 439 . 1 1 58 58 LYS N N 15 121.254 0.01 . . . . . A 58 LYS N . 17939 1 440 . 1 1 59 59 VAL H H 1 9.271 0.01 . . . . . A 59 VAL H . 17939 1 441 . 1 1 59 59 VAL HA H 1 4.666 0.01 . . . . . A 59 VAL HA . 17939 1 442 . 1 1 59 59 VAL HB H 1 1.876 0.01 . . . . . A 59 VAL HB . 17939 1 443 . 1 1 59 59 VAL HG11 H 1 0.746 0.01 . . . . . A 59 VAL HG11 . 17939 1 444 . 1 1 59 59 VAL HG12 H 1 0.746 0.01 . . . . . A 59 VAL HG12 . 17939 1 445 . 1 1 59 59 VAL HG13 H 1 0.746 0.01 . . . . . A 59 VAL HG13 . 17939 1 446 . 1 1 59 59 VAL HG21 H 1 0.746 0.01 . . . . . A 59 VAL HG21 . 17939 1 447 . 1 1 59 59 VAL HG22 H 1 0.746 0.01 . . . . . A 59 VAL HG22 . 17939 1 448 . 1 1 59 59 VAL HG23 H 1 0.746 0.01 . . . . . A 59 VAL HG23 . 17939 1 449 . 1 1 59 59 VAL CA C 13 61.582 0.1 . . . . . A 59 VAL CA . 17939 1 450 . 1 1 59 59 VAL CB C 13 34.223 0.1 . . . . . A 59 VAL CB . 17939 1 451 . 1 1 59 59 VAL N N 15 122.110 0.01 . . . . . A 59 VAL N . 17939 1 452 . 1 1 60 60 LEU H H 1 9.083 0.01 . . . . . A 60 LEU H . 17939 1 453 . 1 1 60 60 LEU HA H 1 4.803 0.01 . . . . . A 60 LEU HA . 17939 1 454 . 1 1 60 60 LEU HB2 H 1 1.381 0.01 . . . . . A 60 LEU HB2 . 17939 1 455 . 1 1 60 60 LEU HB3 H 1 1.679 0.01 . . . . . A 60 LEU HB3 . 17939 1 456 . 1 1 60 60 LEU HG H 1 1.455 0.01 . . . . . A 60 LEU HG . 17939 1 457 . 1 1 60 60 LEU HD11 H 1 0.867 0.01 . . . . . A 60 LEU HD11 . 17939 1 458 . 1 1 60 60 LEU HD12 H 1 0.867 0.01 . . . . . A 60 LEU HD12 . 17939 1 459 . 1 1 60 60 LEU HD13 H 1 0.867 0.01 . . . . . A 60 LEU HD13 . 17939 1 460 . 1 1 60 60 LEU HD21 H 1 0.867 0.01 . . . . . A 60 LEU HD21 . 17939 1 461 . 1 1 60 60 LEU HD22 H 1 0.867 0.01 . . . . . A 60 LEU HD22 . 17939 1 462 . 1 1 60 60 LEU HD23 H 1 0.867 0.01 . . . . . A 60 LEU HD23 . 17939 1 463 . 1 1 60 60 LEU CA C 13 53.189 0.1 . . . . . A 60 LEU CA . 17939 1 464 . 1 1 60 60 LEU CB C 13 44.412 0.1 . . . . . A 60 LEU CB . 17939 1 465 . 1 1 60 60 LEU N N 15 128.324 0.01 . . . . . A 60 LEU N . 17939 1 466 . 1 1 61 61 ARG H H 1 8.984 0.01 . . . . . A 61 ARG H . 17939 1 467 . 1 1 61 61 ARG N N 15 124.518 0.01 . . . . . A 61 ARG N . 17939 1 468 . 1 1 63 63 ILE HA H 1 4.214 0.01 . . . . . A 63 ILE HA . 17939 1 469 . 1 1 63 63 ILE HB H 1 1.859 0.01 . . . . . A 63 ILE HB . 17939 1 470 . 1 1 63 63 ILE HG12 H 1 1.190 0.01 . . . . . A 63 ILE HG12 . 17939 1 471 . 1 1 63 63 ILE HG13 H 1 1.453 0.01 . . . . . A 63 ILE HG13 . 17939 1 472 . 1 1 63 63 ILE HG21 H 1 0.882 0.01 . . . . . A 63 ILE HG21 . 17939 1 473 . 1 1 63 63 ILE HG22 H 1 0.882 0.01 . . . . . A 63 ILE HG22 . 17939 1 474 . 1 1 63 63 ILE HG23 H 1 0.882 0.01 . . . . . A 63 ILE HG23 . 17939 1 475 . 1 1 63 63 ILE CA C 13 60.904 0.1 . . . . . A 63 ILE CA . 17939 1 476 . 1 1 63 63 ILE CB C 13 38.733 0.1 . . . . . A 63 ILE CB . 17939 1 477 . 1 1 64 64 LYS H H 1 8.536 0.01 . . . . . A 64 LYS H . 17939 1 478 . 1 1 64 64 LYS HA H 1 4.332 0.01 . . . . . A 64 LYS HA . 17939 1 479 . 1 1 64 64 LYS HB2 H 1 1.837 0.01 . . . . . A 64 LYS HB2 . 17939 1 480 . 1 1 64 64 LYS HB3 H 1 1.837 0.01 . . . . . A 64 LYS HB3 . 17939 1 481 . 1 1 64 64 LYS HG2 H 1 1.448 0.01 . . . . . A 64 LYS HG2 . 17939 1 482 . 1 1 64 64 LYS HG3 H 1 1.448 0.01 . . . . . A 64 LYS HG3 . 17939 1 483 . 1 1 64 64 LYS CA C 13 56.789 0.1 . . . . . A 64 LYS CA . 17939 1 484 . 1 1 64 64 LYS CB C 13 32.678 0.1 . . . . . A 64 LYS CB . 17939 1 485 . 1 1 64 64 LYS N N 15 126.091 0.01 . . . . . A 64 LYS N . 17939 1 486 . 1 1 65 65 GLY H H 1 8.549 0.01 . . . . . A 65 GLY H . 17939 1 487 . 1 1 65 65 GLY HA2 H 1 4.011 0.01 . . . . . A 65 GLY HA2 . 17939 1 488 . 1 1 65 65 GLY HA3 H 1 4.011 0.01 . . . . . A 65 GLY HA3 . 17939 1 489 . 1 1 65 65 GLY CA C 13 45.511 0.1 . . . . . A 65 GLY CA . 17939 1 490 . 1 1 65 65 GLY N N 15 111.050 0.01 . . . . . A 65 GLY N . 17939 1 491 . 1 1 66 66 GLY H H 1 8.386 0.01 . . . . . A 66 GLY H . 17939 1 492 . 1 1 66 66 GLY N N 15 108.990 0.01 . . . . . A 66 GLY N . 17939 1 stop_ save_