data_15769 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15769 _Entry.Title ; 1H,13C, and 15N resonance assignment of the ubiquitin like domain (UBL) of Dsk2p. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-05-12 _Entry.Accession_date 2008-05-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _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 Daoning Zhang . . . 15769 2 Tony Chen . Y. . 15769 3 David Fushman . . . 15769 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15769 RDCs 1 15769 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 357 15769 '15N chemical shifts' 82 15769 '1H chemical shifts' 589 15769 'residual dipolar couplings' 79 15769 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 3 . . 2009-08-14 2008-05-12 update BMRB 'added PubMed ID' 15769 2 . . 2008-12-03 2008-05-12 update BMRB 'complete entry citation' 15769 1 . . 2008-09-12 2008-05-12 original author 'original release' 15769 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15769 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636891 _Citation.Full_citation . _Citation.Title '1H, 13C, and 15N resonance assignment of the ubiquitin-like domain from Dsk2p' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _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 147 _Citation.Page_last 149 _Citation.Year 2008 _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 Tony Chen . . . 15769 1 2 Daoning Zhang . . . 15769 1 3 Yulia Matiuhin . . . 15769 1 4 Michael Glickman . . . 15769 1 5 David Fushman . . . 15769 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15769 _Assembly.ID 1 _Assembly.Name 'Ubiquitin like domain of Dsk2p' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9436 _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 'UBL domain' 1 $Dsk2_UBL A . yes native no no 1 'signal recognition, binding' . 15769 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2BWF . . X-ray . 'share the same sequence' . 15769 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dsk2_UBL _Entity.Sf_category entity _Entity.Sf_framecode Dsk2_UBL _Entity.Entry_ID 15769 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dsk2_UBL _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGSSLNIHIKS GQDKWEVNVAPESTVLQFKE AINKANGIPVANQRLIYSGK ILKDDQTVESYHIQDGHSVH LVKSQPKPLDLQPSLIS ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2BWE . "The Crystal Structure Of The Complex Between The Uba And Ubl Domains Of Dsk2" . . . . . 76.29 77 100.00 100.00 9.78e-45 . . . . 15769 1 2 no PDB 2BWF . "Crystal Sturcture Of The Ubl Domain Of Dsk2 From S. Cerevisiae" . . . . . 76.29 77 100.00 100.00 9.78e-45 . . . . 15769 1 3 no DBJ GAA25728 . "K7_Dsk2p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 78.35 373 100.00 100.00 8.64e-43 . . . . 15769 1 4 no EMBL CAA89774 . "unknown [Saccharomyces cerevisiae]" . . . . . 78.35 373 100.00 100.00 8.64e-43 . . . . 15769 1 5 no EMBL CAY82109 . "Dsk2p [Saccharomyces cerevisiae EC1118]" . . . . . 78.35 373 100.00 100.00 8.64e-43 . . . . 15769 1 6 no GB AAB07267 . "ubiquitin-like protein [Saccharomyces cerevisiae]" . . . . . 78.35 373 100.00 100.00 8.02e-43 . . . . 15769 1 7 no GB AHY76732 . "Dsk2p [Saccharomyces cerevisiae YJM993]" . . . . . 78.35 373 100.00 100.00 8.64e-43 . . . . 15769 1 8 no GB AJP40971 . "Dsk2p [Saccharomyces cerevisiae YJM1078]" . . . . . 78.35 373 100.00 100.00 8.64e-43 . . . . 15769 1 9 no GB AJS62143 . "Dsk2p [Saccharomyces cerevisiae YJM189]" . . . . . 78.35 373 100.00 100.00 8.64e-43 . . . . 15769 1 10 no GB AJS62578 . "Dsk2p [Saccharomyces cerevisiae YJM193]" . . . . . 78.35 373 100.00 100.00 8.64e-43 . . . . 15769 1 11 no REF NP_014003 . "Dsk2p [Saccharomyces cerevisiae S288c]" . . . . . 78.35 373 100.00 100.00 8.64e-43 . . . . 15769 1 12 no SP P48510 . "RecName: Full=Ubiquitin domain-containing protein DSK2" . . . . . 78.35 373 100.00 100.00 8.64e-43 . . . . 15769 1 13 no TPG DAA10177 . "TPA: Dsk2p [Saccharomyces cerevisiae S288c]" . . . . . 78.35 373 100.00 100.00 8.64e-43 . . . . 15769 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Binding 15769 1 catalysis 15769 1 degradation 15769 1 proteasomal 15769 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 -10 MET . 15769 1 2 -9 ARG . 15769 1 3 -8 GLY . 15769 1 4 -7 SER . 15769 1 5 -6 HIS . 15769 1 6 -5 HIS . 15769 1 7 -4 HIS . 15769 1 8 -3 HIS . 15769 1 9 -2 HIS . 15769 1 10 -1 HIS . 15769 1 11 0 GLY . 15769 1 12 1 SER . 15769 1 13 2 SER . 15769 1 14 3 LEU . 15769 1 15 4 ASN . 15769 1 16 5 ILE . 15769 1 17 6 HIS . 15769 1 18 7 ILE . 15769 1 19 8 LYS . 15769 1 20 9 SER . 15769 1 21 10 GLY . 15769 1 22 11 GLN . 15769 1 23 12 ASP . 15769 1 24 13 LYS . 15769 1 25 14 TRP . 15769 1 26 15 GLU . 15769 1 27 16 VAL . 15769 1 28 17 ASN . 15769 1 29 18 VAL . 15769 1 30 19 ALA . 15769 1 31 20 PRO . 15769 1 32 21 GLU . 15769 1 33 22 SER . 15769 1 34 23 THR . 15769 1 35 24 VAL . 15769 1 36 25 LEU . 15769 1 37 26 GLN . 15769 1 38 27 PHE . 15769 1 39 28 LYS . 15769 1 40 29 GLU . 15769 1 41 30 ALA . 15769 1 42 31 ILE . 15769 1 43 32 ASN . 15769 1 44 33 LYS . 15769 1 45 34 ALA . 15769 1 46 35 ASN . 15769 1 47 36 GLY . 15769 1 48 37 ILE . 15769 1 49 38 PRO . 15769 1 50 39 VAL . 15769 1 51 40 ALA . 15769 1 52 41 ASN . 15769 1 53 42 GLN . 15769 1 54 43 ARG . 15769 1 55 44 LEU . 15769 1 56 45 ILE . 15769 1 57 46 TYR . 15769 1 58 47 SER . 15769 1 59 48 GLY . 15769 1 60 49 LYS . 15769 1 61 50 ILE . 15769 1 62 51 LEU . 15769 1 63 52 LYS . 15769 1 64 53 ASP . 15769 1 65 54 ASP . 15769 1 66 55 GLN . 15769 1 67 56 THR . 15769 1 68 57 VAL . 15769 1 69 58 GLU . 15769 1 70 59 SER . 15769 1 71 60 TYR . 15769 1 72 61 HIS . 15769 1 73 62 ILE . 15769 1 74 63 GLN . 15769 1 75 64 ASP . 15769 1 76 65 GLY . 15769 1 77 66 HIS . 15769 1 78 67 SER . 15769 1 79 68 VAL . 15769 1 80 69 HIS . 15769 1 81 70 LEU . 15769 1 82 71 VAL . 15769 1 83 72 LYS . 15769 1 84 73 SER . 15769 1 85 74 GLN . 15769 1 86 75 PRO . 15769 1 87 76 LYS . 15769 1 88 77 PRO . 15769 1 89 78 LEU . 15769 1 90 79 ASP . 15769 1 91 80 LEU . 15769 1 92 81 GLN . 15769 1 93 82 PRO . 15769 1 94 83 SER . 15769 1 95 84 LEU . 15769 1 96 85 ILE . 15769 1 97 86 SER . 15769 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 15769 1 . ARG 2 2 15769 1 . GLY 3 3 15769 1 . SER 4 4 15769 1 . HIS 5 5 15769 1 . HIS 6 6 15769 1 . HIS 7 7 15769 1 . HIS 8 8 15769 1 . HIS 9 9 15769 1 . HIS 10 10 15769 1 . GLY 11 11 15769 1 . SER 12 12 15769 1 . SER 13 13 15769 1 . LEU 14 14 15769 1 . ASN 15 15 15769 1 . ILE 16 16 15769 1 . HIS 17 17 15769 1 . ILE 18 18 15769 1 . LYS 19 19 15769 1 . SER 20 20 15769 1 . GLY 21 21 15769 1 . GLN 22 22 15769 1 . ASP 23 23 15769 1 . LYS 24 24 15769 1 . TRP 25 25 15769 1 . GLU 26 26 15769 1 . VAL 27 27 15769 1 . ASN 28 28 15769 1 . VAL 29 29 15769 1 . ALA 30 30 15769 1 . PRO 31 31 15769 1 . GLU 32 32 15769 1 . SER 33 33 15769 1 . THR 34 34 15769 1 . VAL 35 35 15769 1 . LEU 36 36 15769 1 . GLN 37 37 15769 1 . PHE 38 38 15769 1 . LYS 39 39 15769 1 . GLU 40 40 15769 1 . ALA 41 41 15769 1 . ILE 42 42 15769 1 . ASN 43 43 15769 1 . LYS 44 44 15769 1 . ALA 45 45 15769 1 . ASN 46 46 15769 1 . GLY 47 47 15769 1 . ILE 48 48 15769 1 . PRO 49 49 15769 1 . VAL 50 50 15769 1 . ALA 51 51 15769 1 . ASN 52 52 15769 1 . GLN 53 53 15769 1 . ARG 54 54 15769 1 . LEU 55 55 15769 1 . ILE 56 56 15769 1 . TYR 57 57 15769 1 . SER 58 58 15769 1 . GLY 59 59 15769 1 . LYS 60 60 15769 1 . ILE 61 61 15769 1 . LEU 62 62 15769 1 . LYS 63 63 15769 1 . ASP 64 64 15769 1 . ASP 65 65 15769 1 . GLN 66 66 15769 1 . THR 67 67 15769 1 . VAL 68 68 15769 1 . GLU 69 69 15769 1 . SER 70 70 15769 1 . TYR 71 71 15769 1 . HIS 72 72 15769 1 . ILE 73 73 15769 1 . GLN 74 74 15769 1 . ASP 75 75 15769 1 . GLY 76 76 15769 1 . HIS 77 77 15769 1 . SER 78 78 15769 1 . VAL 79 79 15769 1 . HIS 80 80 15769 1 . LEU 81 81 15769 1 . VAL 82 82 15769 1 . LYS 83 83 15769 1 . SER 84 84 15769 1 . GLN 85 85 15769 1 . PRO 86 86 15769 1 . LYS 87 87 15769 1 . PRO 88 88 15769 1 . LEU 89 89 15769 1 . ASP 90 90 15769 1 . LEU 91 91 15769 1 . GLN 92 92 15769 1 . PRO 93 93 15769 1 . SER 94 94 15769 1 . LEU 95 95 15769 1 . ILE 96 96 15769 1 . SER 97 97 15769 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 15769 _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 $Dsk2_UBL . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Metazoa Saccharomyces cerevisiae Dsk2p . . . . . . . . . . . . . . . . . . . . 15769 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 15769 _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 $Dsk2_UBL . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli M15 . . . . . . . . . . . . . . . pQE-30 . . . . . . 15769 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15769 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'Dsk2 UBL' '[U-100% 13C; U-100% 15N]' . . 1 $Dsk2_UBL . . 2 . . mM . . . . 15769 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15769 1 3 'sodium azide' 'natural abundance' . . . . . . 0.002 . . w/v . . . . 15769 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 15769 1 5 D2O . . . . . . . 7 . . % . . . . 15769 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15769 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'Dsk2 UBL' '[U-100% 15N]' . . 1 $Dsk2_UBL . . 2 . . mM . . . . 15769 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15769 2 3 'sodium azide' 'natural abundance' . . . . . . 0.002 . . w/v . . . . 15769 2 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 15769 2 5 D2O . . . . . . . 7 . . % . . . . 15769 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15769 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details RDC _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'Dsk2 UBL' '[U-100% 15N]' . . 1 $Dsk2_UBL . . 2 . . mM . . . . 15769 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15769 3 3 'sodium azide' 'natural abundance' . . . . . . 0.002 . . w/v . . . . 15769 3 4 'liquid crystal for RDC' 'natural abundance' . . . . . . 0.05 . . w/v . . . . 15769 3 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 15769 3 6 D2O . . . . . . . 7 . . % . . . . 15769 3 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 15769 _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 pH 6.8 . pH 15769 1 pressure 1 . atm 15769 1 temperature 296 . K 15769 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15769 _Sample_condition_list.ID 2 _Sample_condition_list.Details RDC 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 pH 6.8 . pH 15769 2 pressure 1 . atm 15769 2 temperature 308 . K 15769 2 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15769 _Software.ID 1 _Software.Name CARA _Software.Version 1.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15769 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15769 1 'peak picking' 15769 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15769 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15769 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 15769 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 15769 _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 HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15769 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15769 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15769 1 4 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15769 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15769 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15769 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15769 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15769 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15769 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15769 1 11 HSQC_IP no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15769 1 12 HSQC_AP no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15769 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 15769 _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 TMS 'methyl protons' . . . . ppm 0 internal indirect 0.251450002 . . . . . . . . . 15769 1 H 1 TMS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 15769 1 N 15 TMS 'methyl protons' . . . . ppm 0 internal indirect 0.1013291444 . . . . . . . . . 15769 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 15769 _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 HNCA' . . . 15769 1 3 '3D HNCO' . . . 15769 1 4 '3D HCACO' . . . 15769 1 6 '3D CBCA(CO)NH' . . . 15769 1 7 '3D H(CCO)NH' . . . 15769 1 9 '3D HNCACB' . . . 15769 1 10 '3D 1H-15N TOCSY' . . . 15769 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 15769 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 10 10 HIS HA H 1 4.46 0 . 1 . . . . -1 HIS HA . 15769 1 2 . 1 1 10 10 HIS HB2 H 1 2.988 0 . 2 . . . . -1 HIS HB . 15769 1 3 . 1 1 10 10 HIS HB3 H 1 2.988 0 . 2 . . . . -1 HIS HB . 15769 1 4 . 1 1 10 10 HIS C C 13 175.724 0 . 1 . . . . -1 HIS C . 15769 1 5 . 1 1 10 10 HIS CA C 13 56.365 0 . 1 . . . . -1 HIS CA . 15769 1 6 . 1 1 10 10 HIS CB C 13 30.345 0 . 1 . . . . -1 HIS CB . 15769 1 7 . 1 1 11 11 GLY H H 1 8.467 0 . 1 . . . . 0 GLY H . 15769 1 8 . 1 1 11 11 GLY HA2 H 1 3.841 0 . 2 . . . . 0 GLY HA . 15769 1 9 . 1 1 11 11 GLY HA3 H 1 3.841 0 . 2 . . . . 0 GLY HA . 15769 1 10 . 1 1 11 11 GLY C C 13 174.212 0 . 1 . . . . 0 GLY C . 15769 1 11 . 1 1 11 11 GLY CA C 13 45.417 0 . 1 . . . . 0 GLY CA . 15769 1 12 . 1 1 11 11 GLY N N 15 110.33 0 . 1 . . . . 0 GLY N . 15769 1 13 . 1 1 12 12 SER H H 1 8.19 0 . 1 . . . . 1 SER H . 15769 1 14 . 1 1 12 12 SER HA H 1 3.703 0 . 1 . . . . 1 SER HA . 15769 1 15 . 1 1 12 12 SER HB2 H 1 3.703 0 . 2 . . . . 1 SER HB . 15769 1 16 . 1 1 12 12 SER HB3 H 1 3.703 0 . 2 . . . . 1 SER HB . 15769 1 17 . 1 1 12 12 SER C C 13 174.212 0 . 1 . . . . 1 SER C . 15769 1 18 . 1 1 12 12 SER CA C 13 58.414 0 . 1 . . . . 1 SER CA . 15769 1 19 . 1 1 12 12 SER CB C 13 64.073 0 . 1 . . . . 1 SER CB . 15769 1 20 . 1 1 12 12 SER N N 15 115.504 0 . 1 . . . . 1 SER N . 15769 1 21 . 1 1 13 13 SER H H 1 8.012 0 . 1 . . . . 2 SER H . 15769 1 22 . 1 1 13 13 SER HA H 1 3.498 0 . 1 . . . . 2 SER HA . 15769 1 23 . 1 1 13 13 SER HB2 H 1 3.498 0 . 2 . . . . 2 SER HB . 15769 1 24 . 1 1 13 13 SER HB3 H 1 3.498 0 . 2 . . . . 2 SER HB . 15769 1 25 . 1 1 13 13 SER C C 13 172.862 0 . 1 . . . . 2 SER C . 15769 1 26 . 1 1 13 13 SER CA C 13 58.442 0 . 1 . . . . 2 SER CA . 15769 1 27 . 1 1 13 13 SER CB C 13 64.333 0 . 1 . . . . 2 SER CB . 15769 1 28 . 1 1 13 13 SER N N 15 115.284 0 . 1 . . . . 2 SER N . 15769 1 29 . 1 1 14 14 LEU H H 1 8.686 0 . 1 . . . . 3 LEU H . 15769 1 30 . 1 1 14 14 LEU HA H 1 4.348 0 . 1 . . . . 3 LEU HA . 15769 1 31 . 1 1 14 14 LEU HB2 H 1 1.505 0 . 2 . . . . 3 LEU HB2 . 15769 1 32 . 1 1 14 14 LEU HB3 H 1 1.296 0 . 2 . . . . 3 LEU HB3 . 15769 1 33 . 1 1 14 14 LEU HD11 H 1 0.54 0 . 2 . . . . 3 LEU HD1 . 15769 1 34 . 1 1 14 14 LEU HD12 H 1 0.54 0 . 2 . . . . 3 LEU HD1 . 15769 1 35 . 1 1 14 14 LEU HD13 H 1 0.54 0 . 2 . . . . 3 LEU HD1 . 15769 1 36 . 1 1 14 14 LEU HD21 H 1 0.397 0 . 2 . . . . 3 LEU HD2 . 15769 1 37 . 1 1 14 14 LEU HD22 H 1 0.397 0 . 2 . . . . 3 LEU HD2 . 15769 1 38 . 1 1 14 14 LEU HD23 H 1 0.397 0 . 2 . . . . 3 LEU HD2 . 15769 1 39 . 1 1 14 14 LEU HG H 1 0.852 0 . 1 . . . . 3 LEU HG . 15769 1 40 . 1 1 14 14 LEU C C 13 175.058 0 . 1 . . . . 3 LEU C . 15769 1 41 . 1 1 14 14 LEU CA C 13 53.754 0 . 1 . . . . 3 LEU CA . 15769 1 42 . 1 1 14 14 LEU CB C 13 44.212 0 . 1 . . . . 3 LEU CB . 15769 1 43 . 1 1 14 14 LEU CD1 C 13 25.801 0 . 2 . . . . 3 LEU CD1 . 15769 1 44 . 1 1 14 14 LEU CD2 C 13 23.459 0 . 2 . . . . 3 LEU CD2 . 15769 1 45 . 1 1 14 14 LEU CG C 13 26.737 0 . 1 . . . . 3 LEU CG . 15769 1 46 . 1 1 14 14 LEU N N 15 122.206 0 . 1 . . . . 3 LEU N . 15769 1 47 . 1 1 15 15 ASN H H 1 8.855 0 . 1 . . . . 4 ASN H . 15769 1 48 . 1 1 15 15 ASN HA H 1 5.065 0 . 1 . . . . 4 ASN HA . 15769 1 49 . 1 1 15 15 ASN HB2 H 1 2.543 0 . 2 . . . . 4 ASN HB . 15769 1 50 . 1 1 15 15 ASN HB3 H 1 2.543 0 . 2 . . . . 4 ASN HB . 15769 1 51 . 1 1 15 15 ASN C C 13 173.871 0 . 1 . . . . 4 ASN C . 15769 1 52 . 1 1 15 15 ASN CA C 13 52.912 0 . 1 . . . . 4 ASN CA . 15769 1 53 . 1 1 15 15 ASN CB C 13 40.115 0 . 1 . . . . 4 ASN CB . 15769 1 54 . 1 1 15 15 ASN N N 15 122.027 0 . 1 . . . . 4 ASN N . 15769 1 55 . 1 1 16 16 ILE H H 1 8.724 0 . 1 . . . . 5 ILE H . 15769 1 56 . 1 1 16 16 ILE HA H 1 4.345 0 . 1 . . . . 5 ILE HA . 15769 1 57 . 1 1 16 16 ILE HB H 1 1.523 0 . 1 . . . . 5 ILE HB . 15769 1 58 . 1 1 16 16 ILE HD11 H 1 0.117 0 . 1 . . . . 5 ILE HD1 . 15769 1 59 . 1 1 16 16 ILE HD12 H 1 0.117 0 . 1 . . . . 5 ILE HD1 . 15769 1 60 . 1 1 16 16 ILE HD13 H 1 0.117 0 . 1 . . . . 5 ILE HD1 . 15769 1 61 . 1 1 16 16 ILE HG12 H 1 0.814 0 . 2 . . . . 5 ILE HG12 . 15769 1 62 . 1 1 16 16 ILE HG13 H 1 0.814 0 . 2 . . . . 5 ILE HG13 . 15769 1 63 . 1 1 16 16 ILE HG21 H 1 0.117 0 . 1 . . . . 5 ILE HG2 . 15769 1 64 . 1 1 16 16 ILE HG22 H 1 0.117 0 . 1 . . . . 5 ILE HG2 . 15769 1 65 . 1 1 16 16 ILE HG23 H 1 0.117 0 . 1 . . . . 5 ILE HG2 . 15769 1 66 . 1 1 16 16 ILE C C 13 175.106 0 . 1 . . . . 5 ILE C . 15769 1 67 . 1 1 16 16 ILE CA C 13 59.256 0 . 1 . . . . 5 ILE CA . 15769 1 68 . 1 1 16 16 ILE CB C 13 40.359 0 . 1 . . . . 5 ILE CB . 15769 1 69 . 1 1 16 16 ILE CD1 C 13 13.626 0 . 1 . . . . 5 ILE CD1 . 15769 1 70 . 1 1 16 16 ILE CG1 C 13 27.44 0 . 1 . . . . 5 ILE CG1 . 15769 1 71 . 1 1 16 16 ILE CG2 C 13 18.933 0 . 1 . . . . 5 ILE CG2 . 15769 1 72 . 1 1 16 16 ILE N N 15 125.315 0 . 1 . . . . 5 ILE N . 15769 1 73 . 1 1 17 17 HIS H H 1 8.548 0 . 1 . . . . 6 HIS H . 15769 1 74 . 1 1 17 17 HIS HA H 1 4.934 0 . 1 . . . . 6 HIS HA . 15769 1 75 . 1 1 17 17 HIS HB2 H 1 3.184 0 . 2 . . . . 6 HIS HB2 . 15769 1 76 . 1 1 17 17 HIS HB3 H 1 2.756 0 . 2 . . . . 6 HIS HB3 . 15769 1 77 . 1 1 17 17 HIS C C 13 174.082 0 . 1 . . . . 6 HIS C . 15769 1 78 . 1 1 17 17 HIS CA C 13 55.073 0 . 1 . . . . 6 HIS CA . 15769 1 79 . 1 1 17 17 HIS CB C 13 30.751 0 . 1 . . . . 6 HIS CB . 15769 1 80 . 1 1 17 17 HIS N N 15 124.906 0 . 1 . . . . 6 HIS N . 15769 1 81 . 1 1 18 18 ILE H H 1 9.365 0 . 1 . . . . 7 ILE H . 15769 1 82 . 1 1 18 18 ILE HA H 1 5.031 0 . 1 . . . . 7 ILE HA . 15769 1 83 . 1 1 18 18 ILE HB H 1 2.207 0 . 1 . . . . 7 ILE HB . 15769 1 84 . 1 1 18 18 ILE HD11 H 1 0.651 0 . 1 . . . . 7 ILE HD1 . 15769 1 85 . 1 1 18 18 ILE HD12 H 1 0.651 0 . 1 . . . . 7 ILE HD1 . 15769 1 86 . 1 1 18 18 ILE HD13 H 1 0.651 0 . 1 . . . . 7 ILE HD1 . 15769 1 87 . 1 1 18 18 ILE HG12 H 1 1.595 0 . 2 . . . . 7 ILE HG1 . 15769 1 88 . 1 1 18 18 ILE HG13 H 1 1.595 0 . 2 . . . . 7 ILE HG1 . 15769 1 89 . 1 1 18 18 ILE HG21 H 1 1.066 0 . 1 . . . . 7 ILE HG2 . 15769 1 90 . 1 1 18 18 ILE HG22 H 1 1.066 0 . 1 . . . . 7 ILE HG2 . 15769 1 91 . 1 1 18 18 ILE HG23 H 1 1.066 0 . 1 . . . . 7 ILE HG2 . 15769 1 92 . 1 1 18 18 ILE C C 13 175.643 0 . 1 . . . . 7 ILE C . 15769 1 93 . 1 1 18 18 ILE CA C 13 57.909 0 . 1 . . . . 7 ILE CA . 15769 1 94 . 1 1 18 18 ILE CB C 13 37.839 0 . 1 . . . . 7 ILE CB . 15769 1 95 . 1 1 18 18 ILE CD1 C 13 12.065 0 . 1 . . . . 7 ILE CD1 . 15769 1 96 . 1 1 18 18 ILE CG1 C 13 27.44 0 . 1 . . . . 7 ILE CG1 . 15769 1 97 . 1 1 18 18 ILE CG2 C 13 19.323 0 . 1 . . . . 7 ILE CG2 . 15769 1 98 . 1 1 18 18 ILE N N 15 124.712 0 . 1 . . . . 7 ILE N . 15769 1 99 . 1 1 19 19 LYS H H 1 8.472 0 . 1 . . . . 8 LYS H . 15769 1 100 . 1 1 19 19 LYS HA H 1 4.904 0 . 1 . . . . 8 LYS HA . 15769 1 101 . 1 1 19 19 LYS HB2 H 1 1.696 0 . 2 . . . . 8 LYS HB . 15769 1 102 . 1 1 19 19 LYS HB3 H 1 1.696 0 . 2 . . . . 8 LYS HB . 15769 1 103 . 1 1 19 19 LYS HD2 H 1 1.409 0 . 2 . . . . 8 LYS HD . 15769 1 104 . 1 1 19 19 LYS HD3 H 1 1.409 0 . 2 . . . . 8 LYS HD . 15769 1 105 . 1 1 19 19 LYS HE2 H 1 2.733 0 . 2 . . . . 8 LYS HE . 15769 1 106 . 1 1 19 19 LYS HE3 H 1 2.733 0 . 2 . . . . 8 LYS HE . 15769 1 107 . 1 1 19 19 LYS HG2 H 1 1.152 0 . 2 . . . . 8 LYS HG . 15769 1 108 . 1 1 19 19 LYS HG3 H 1 1.152 0 . 2 . . . . 8 LYS HG . 15769 1 109 . 1 1 19 19 LYS C C 13 175.903 0 . 1 . . . . 8 LYS C . 15769 1 110 . 1 1 19 19 LYS CA C 13 54.905 0 . 1 . . . . 8 LYS CA . 15769 1 111 . 1 1 19 19 LYS CB C 13 35.628 0 . 1 . . . . 8 LYS CB . 15769 1 112 . 1 1 19 19 LYS CD C 13 29.547 0 . 1 . . . . 8 LYS CD . 15769 1 113 . 1 1 19 19 LYS CE C 13 42.034 0 . 1 . . . . 8 LYS CE . 15769 1 114 . 1 1 19 19 LYS CG C 13 25.332 0 . 1 . . . . 8 LYS CG . 15769 1 115 . 1 1 19 19 LYS N N 15 124.905 0 . 1 . . . . 8 LYS N . 15769 1 116 . 1 1 20 20 SER H H 1 8.11 0 . 1 . . . . 9 SER H . 15769 1 117 . 1 1 20 20 SER HA H 1 4.784 0 . 1 . . . . 9 SER HA . 15769 1 118 . 1 1 20 20 SER HB2 H 1 4.791 0 . 2 . . . . 9 SER HB . 15769 1 119 . 1 1 20 20 SER HB3 H 1 4.791 0 . 2 . . . . 9 SER HB . 15769 1 120 . 1 1 20 20 SER C C 13 175.09 0 . 1 . . . . 9 SER C . 15769 1 121 . 1 1 20 20 SER CA C 13 57.375 0 . 1 . . . . 9 SER CA . 15769 1 122 . 1 1 20 20 SER CB C 13 65.152 0 . 1 . . . . 9 SER CB . 15769 1 123 . 1 1 20 20 SER N N 15 117.262 0 . 1 . . . . 9 SER N . 15769 1 124 . 1 1 21 21 GLY H H 1 9.047 0 . 1 . . . . 10 GLY H . 15769 1 125 . 1 1 21 21 GLY HA2 H 1 3.973 0 . 2 . . . . 10 GLY HA2 . 15769 1 126 . 1 1 21 21 GLY HA3 H 1 3.627 0 . 2 . . . . 10 GLY HA3 . 15769 1 127 . 1 1 21 21 GLY C C 13 175.659 0 . 1 . . . . 10 GLY C . 15769 1 128 . 1 1 21 21 GLY CA C 13 47.579 0 . 1 . . . . 10 GLY CA . 15769 1 129 . 1 1 21 21 GLY N N 15 118.081 0 . 1 . . . . 10 GLY N . 15769 1 130 . 1 1 22 22 GLN H H 1 9.041 0 . 1 . . . . 11 GLN H . 15769 1 131 . 1 1 22 22 GLN HA H 1 4.168 0 . 1 . . . . 11 GLN HA . 15769 1 132 . 1 1 22 22 GLN HB2 H 1 1.796 0 . 2 . . . . 11 GLN HB . 15769 1 133 . 1 1 22 22 GLN HB3 H 1 1.796 0 . 2 . . . . 11 GLN HB . 15769 1 134 . 1 1 22 22 GLN HG2 H 1 2.233 0 . 2 . . . . 11 GLN HG . 15769 1 135 . 1 1 22 22 GLN HG3 H 1 2.233 0 . 2 . . . . 11 GLN HG . 15769 1 136 . 1 1 22 22 GLN C C 13 175.741 0 . 1 . . . . 11 GLN C . 15769 1 137 . 1 1 22 22 GLN CA C 13 56.14 0 . 1 . . . . 11 GLN CA . 15769 1 138 . 1 1 22 22 GLN CB C 13 29.207 0 . 1 . . . . 11 GLN CB . 15769 1 139 . 1 1 22 22 GLN CG C 13 34.229 0 . 1 . . . . 11 GLN CG . 15769 1 140 . 1 1 22 22 GLN N N 15 125.856 0 . 1 . . . . 11 GLN N . 15769 1 141 . 1 1 23 23 ASP H H 1 7.978 0 . 1 . . . . 12 ASP H . 15769 1 142 . 1 1 23 23 ASP HA H 1 4.32 0 . 1 . . . . 12 ASP HA . 15769 1 143 . 1 1 23 23 ASP HB2 H 1 2.382 0 . 2 . . . . 12 ASP HB2 . 15769 1 144 . 1 1 23 23 ASP HB3 H 1 2.382 0 . 2 . . . . 12 ASP HB3 . 15769 1 145 . 1 1 23 23 ASP C C 13 174.879 0 . 1 . . . . 12 ASP C . 15769 1 146 . 1 1 23 23 ASP CA C 13 54.428 0 . 1 . . . . 12 ASP CA . 15769 1 147 . 1 1 23 23 ASP CB C 13 44.212 0 . 1 . . . . 12 ASP CB . 15769 1 148 . 1 1 23 23 ASP N N 15 120.076 0 . 1 . . . . 12 ASP N . 15769 1 149 . 1 1 24 24 LYS H H 1 7.495 0 . 1 . . . . 13 LYS H . 15769 1 150 . 1 1 24 24 LYS HA H 1 4.957 0 . 1 . . . . 13 LYS HA . 15769 1 151 . 1 1 24 24 LYS HB2 H 1 1.396 0 . 2 . . . . 13 LYS HB . 15769 1 152 . 1 1 24 24 LYS HB3 H 1 1.396 0 . 2 . . . . 13 LYS HB . 15769 1 153 . 1 1 24 24 LYS HD2 H 1 1.396 0 . 2 . . . . 13 LYS HD . 15769 1 154 . 1 1 24 24 LYS HD3 H 1 1.396 0 . 2 . . . . 13 LYS HD . 15769 1 155 . 1 1 24 24 LYS HE2 H 1 2.665 0 . 2 . . . . 13 LYS HE . 15769 1 156 . 1 1 24 24 LYS HE3 H 1 2.665 0 . 2 . . . . 13 LYS HE . 15769 1 157 . 1 1 24 24 LYS HG2 H 1 1.053 0 . 2 . . . . 13 LYS HG . 15769 1 158 . 1 1 24 24 LYS HG3 H 1 1.053 0 . 2 . . . . 13 LYS HG . 15769 1 159 . 1 1 24 24 LYS C C 13 174.489 0 . 1 . . . . 13 LYS C . 15769 1 160 . 1 1 24 24 LYS CA C 13 54.821 0 . 1 . . . . 13 LYS CA . 15769 1 161 . 1 1 24 24 LYS CB C 13 35.498 0 . 1 . . . . 13 LYS CB . 15769 1 162 . 1 1 24 24 LYS CD C 13 29.547 0 . 1 . . . . 13 LYS CD . 15769 1 163 . 1 1 24 24 LYS CE C 13 41.721 0 . 1 . . . . 13 LYS CE . 15769 1 164 . 1 1 24 24 LYS CG C 13 24.006 0 . 1 . . . . 13 LYS CG . 15769 1 165 . 1 1 24 24 LYS N N 15 119.096 0 . 1 . . . . 13 LYS N . 15769 1 166 . 1 1 25 25 TRP H H 1 8.928 0 . 1 . . . . 14 TRP H . 15769 1 167 . 1 1 25 25 TRP HA H 1 4.765 0 . 1 . . . . 14 TRP HA . 15769 1 168 . 1 1 25 25 TRP HB2 H 1 3.128 0 . 2 . . . . 14 TRP HB2 . 15769 1 169 . 1 1 25 25 TRP HB3 H 1 2.589 0 . 2 . . . . 14 TRP HB3 . 15769 1 170 . 1 1 25 25 TRP C C 13 174.342 0 . 1 . . . . 14 TRP C . 15769 1 171 . 1 1 25 25 TRP CA C 13 57.6 0 . 1 . . . . 14 TRP CA . 15769 1 172 . 1 1 25 25 TRP CB C 13 32.507 0 . 1 . . . . 14 TRP CB . 15769 1 173 . 1 1 25 25 TRP N N 15 120.644 0 . 1 . . . . 14 TRP N . 15769 1 174 . 1 1 26 26 GLU H H 1 8.634 0 . 1 . . . . 15 GLU H . 15769 1 175 . 1 1 26 26 GLU HA H 1 5.039 0 . 1 . . . . 15 GLU HA . 15769 1 176 . 1 1 26 26 GLU HB2 H 1 1.83 0 . 2 . . . . 15 GLU HB . 15769 1 177 . 1 1 26 26 GLU HB3 H 1 1.83 0 . 2 . . . . 15 GLU HB . 15769 1 178 . 1 1 26 26 GLU HG2 H 1 1.838 0 . 2 . . . . 15 GLU HG . 15769 1 179 . 1 1 26 26 GLU HG3 H 1 1.838 0 . 2 . . . . 15 GLU HG . 15769 1 180 . 1 1 26 26 GLU C C 13 175.676 0 . 1 . . . . 15 GLU C . 15769 1 181 . 1 1 26 26 GLU CA C 13 55.747 0 . 1 . . . . 15 GLU CA . 15769 1 182 . 1 1 26 26 GLU CB C 13 31.711 0 . 1 . . . . 15 GLU CB . 15769 1 183 . 1 1 26 26 GLU CG C 13 36.18 0 . 1 . . . . 15 GLU CG . 15769 1 184 . 1 1 26 26 GLU N N 15 121.686 0 . 1 . . . . 15 GLU N . 15769 1 185 . 1 1 27 27 VAL H H 1 8.643 0 . 1 . . . . 16 VAL H . 15769 1 186 . 1 1 27 27 VAL HA H 1 4.408 0 . 1 . . . . 16 VAL HA . 15769 1 187 . 1 1 27 27 VAL HB H 1 1.426 0 . 1 . . . . 16 VAL HB . 15769 1 188 . 1 1 27 27 VAL HG11 H 1 0.691 0 . 2 . . . . 16 VAL HG . 15769 1 189 . 1 1 27 27 VAL HG12 H 1 0.691 0 . 2 . . . . 16 VAL HG . 15769 1 190 . 1 1 27 27 VAL HG13 H 1 0.691 0 . 2 . . . . 16 VAL HG . 15769 1 191 . 1 1 27 27 VAL HG21 H 1 0.691 0 . 2 . . . . 16 VAL HG . 15769 1 192 . 1 1 27 27 VAL HG22 H 1 0.691 0 . 2 . . . . 16 VAL HG . 15769 1 193 . 1 1 27 27 VAL HG23 H 1 0.691 0 . 2 . . . . 16 VAL HG . 15769 1 194 . 1 1 27 27 VAL C C 13 173.204 0 . 1 . . . . 16 VAL C . 15769 1 195 . 1 1 27 27 VAL CA C 13 60.182 0 . 1 . . . . 16 VAL CA . 15769 1 196 . 1 1 27 27 VAL CB C 13 36.111 0 . 1 . . . . 16 VAL CB . 15769 1 197 . 1 1 27 27 VAL CG1 C 13 21.82 0 . 2 . . . . 16 VAL CG1 . 15769 1 198 . 1 1 27 27 VAL CG2 C 13 21.196 0 . 2 . . . . 16 VAL CG2 . 15769 1 199 . 1 1 27 27 VAL N N 15 118.937 0 . 1 . . . . 16 VAL N . 15769 1 200 . 1 1 28 28 ASN H H 1 8.341 0 . 1 . . . . 17 ASN H . 15769 1 201 . 1 1 28 28 ASN HA H 1 5.808 0 . 1 . . . . 17 ASN HA . 15769 1 202 . 1 1 28 28 ASN HB2 H 1 2.351 0 . 2 . . . . 17 ASN HB . 15769 1 203 . 1 1 28 28 ASN HB3 H 1 2.351 0 . 2 . . . . 17 ASN HB . 15769 1 204 . 1 1 28 28 ASN C C 13 174.863 0 . 1 . . . . 17 ASN C . 15769 1 205 . 1 1 28 28 ASN CA C 13 52.379 0 . 1 . . . . 17 ASN CA . 15769 1 206 . 1 1 28 28 ASN CB C 13 41.416 0 . 1 . . . . 17 ASN CB . 15769 1 207 . 1 1 28 28 ASN N N 15 122.923 0 . 1 . . . . 17 ASN N . 15769 1 208 . 1 1 29 29 VAL H H 1 8.714 0 . 1 . . . . 18 VAL H . 15769 1 209 . 1 1 29 29 VAL HA H 1 4.42 0 . 1 . . . . 18 VAL HA . 15769 1 210 . 1 1 29 29 VAL HB H 1 1.778 0 . 1 . . . . 18 VAL HB . 15769 1 211 . 1 1 29 29 VAL HG11 H 1 0.475 0 . 2 . . . . 18 VAL HG . 15769 1 212 . 1 1 29 29 VAL HG12 H 1 0.475 0 . 2 . . . . 18 VAL HG . 15769 1 213 . 1 1 29 29 VAL HG13 H 1 0.475 0 . 2 . . . . 18 VAL HG . 15769 1 214 . 1 1 29 29 VAL HG21 H 1 0.475 0 . 2 . . . . 18 VAL HG . 15769 1 215 . 1 1 29 29 VAL HG22 H 1 0.475 0 . 2 . . . . 18 VAL HG . 15769 1 216 . 1 1 29 29 VAL HG23 H 1 0.475 0 . 2 . . . . 18 VAL HG . 15769 1 217 . 1 1 29 29 VAL C C 13 173.383 0 . 1 . . . . 18 VAL C . 15769 1 218 . 1 1 29 29 VAL CA C 13 59.228 0 . 1 . . . . 18 VAL CA . 15769 1 219 . 1 1 29 29 VAL CB C 13 36.111 0 . 1 . . . . 18 VAL CB . 15769 1 220 . 1 1 29 29 VAL CG1 C 13 21.196 0 . 2 . . . . 18 VAL CG1 . 15769 1 221 . 1 1 29 29 VAL CG2 C 13 20.103 0 . 2 . . . . 18 VAL CG2 . 15769 1 222 . 1 1 29 29 VAL N N 15 118.565 0 . 1 . . . . 18 VAL N . 15769 1 223 . 1 1 30 30 ALA H H 1 8.317 0 . 1 . . . . 19 ALA H . 15769 1 224 . 1 1 30 30 ALA HA H 1 4.443 0 . 1 . . . . 19 ALA HA . 15769 1 225 . 1 1 30 30 ALA HB1 H 1 1.643 0 . 1 . . . . 19 ALA HB . 15769 1 226 . 1 1 30 30 ALA HB2 H 1 1.643 0 . 1 . . . . 19 ALA HB . 15769 1 227 . 1 1 30 30 ALA HB3 H 1 1.643 0 . 1 . . . . 19 ALA HB . 15769 1 228 . 1 1 30 30 ALA C C 13 177.529 0 . 1 . . . . 19 ALA C . 15769 1 229 . 1 1 30 30 ALA CA C 13 50.498 0 . 1 . . . . 19 ALA CA . 15769 1 230 . 1 1 30 30 ALA CB C 13 17.55 0 . 1 . . . . 19 ALA CB . 15769 1 231 . 1 1 30 30 ALA N N 15 127.43 0 . 1 . . . . 19 ALA N . 15769 1 232 . 1 1 31 31 PRO HA H 1 3.765 0 . 1 . . . . 20 PRO HA . 15769 1 233 . 1 1 31 31 PRO HB2 H 1 2.031 0 . 2 . . . . 20 PRO HB . 15769 1 234 . 1 1 31 31 PRO HB3 H 1 2.031 0 . 2 . . . . 20 PRO HB . 15769 1 235 . 1 1 31 31 PRO HD2 H 1 3.471 0 . 2 . . . . 20 PRO HD . 15769 1 236 . 1 1 31 31 PRO HD3 H 1 3.471 0 . 2 . . . . 20 PRO HD . 15769 1 237 . 1 1 31 31 PRO HG2 H 1 1.83 0 . 2 . . . . 20 PRO HG . 15769 1 238 . 1 1 31 31 PRO HG3 H 1 1.83 0 . 2 . . . . 20 PRO HG . 15769 1 239 . 1 1 31 31 PRO C C 13 176.115 0 . 1 . . . . 20 PRO C . 15769 1 240 . 1 1 31 31 PRO CA C 13 65.263 0 . 1 . . . . 20 PRO CA . 15769 1 241 . 1 1 31 31 PRO CB C 13 31.559 0 . 1 . . . . 20 PRO CB . 15769 1 242 . 1 1 31 31 PRO CD C 13 50.696 0 . 1 . . . . 20 PRO CD . 15769 1 243 . 1 1 31 31 PRO CG C 13 27.752 0 . 1 . . . . 20 PRO CG . 15769 1 244 . 1 1 32 32 GLU H H 1 8.709 0 . 1 . . . . 21 GLU H . 15769 1 245 . 1 1 32 32 GLU HA H 1 4.094 0 . 1 . . . . 21 GLU HA . 15769 1 246 . 1 1 32 32 GLU HB2 H 1 1.896 0 . 2 . . . . 21 GLU HB . 15769 1 247 . 1 1 32 32 GLU HB3 H 1 1.896 0 . 2 . . . . 21 GLU HB . 15769 1 248 . 1 1 32 32 GLU HG2 H 1 2.095 0 . 2 . . . . 21 GLU HG . 15769 1 249 . 1 1 32 32 GLU HG3 H 1 2.095 0 . 2 . . . . 21 GLU HG . 15769 1 250 . 1 1 32 32 GLU C C 13 176.586 0 . 1 . . . . 21 GLU C . 15769 1 251 . 1 1 32 32 GLU CA C 13 56.982 0 . 1 . . . . 21 GLU CA . 15769 1 252 . 1 1 32 32 GLU CB C 13 27.993 0 . 1 . . . . 21 GLU CB . 15769 1 253 . 1 1 32 32 GLU CG C 13 36.102 0 . 1 . . . . 21 GLU CG . 15769 1 254 . 1 1 32 32 GLU N N 15 112.107 0 . 1 . . . . 21 GLU N . 15769 1 255 . 1 1 33 33 SER H H 1 7.567 0 . 1 . . . . 22 SER H . 15769 1 256 . 1 1 33 33 SER HA H 1 3.757 0 . 1 . . . . 22 SER HA . 15769 1 257 . 1 1 33 33 SER HB2 H 1 3.762 0 . 2 . . . . 22 SER HB . 15769 1 258 . 1 1 33 33 SER HB3 H 1 3.762 0 . 2 . . . . 22 SER HB . 15769 1 259 . 1 1 33 33 SER C C 13 174.619 0 . 1 . . . . 22 SER C . 15769 1 260 . 1 1 33 33 SER CA C 13 59.817 0 . 1 . . . . 22 SER CA . 15769 1 261 . 1 1 33 33 SER CB C 13 64.177 0 . 1 . . . . 22 SER CB . 15769 1 262 . 1 1 33 33 SER N N 15 116.374 0 . 1 . . . . 22 SER N . 15769 1 263 . 1 1 34 34 THR H H 1 8.711 0 . 1 . . . . 23 THR H . 15769 1 264 . 1 1 34 34 THR HA H 1 4.722 0 . 1 . . . . 23 THR HA . 15769 1 265 . 1 1 34 34 THR HB H 1 4.555 0 . 1 . . . . 23 THR HB . 15769 1 266 . 1 1 34 34 THR HG21 H 1 1.129 0 . 2 . . . . 23 THR HG2 . 15769 1 267 . 1 1 34 34 THR HG22 H 1 1.129 0 . 2 . . . . 23 THR HG2 . 15769 1 268 . 1 1 34 34 THR HG23 H 1 1.129 0 . 2 . . . . 23 THR HG2 . 15769 1 269 . 1 1 34 34 THR C C 13 176.798 0 . 1 . . . . 23 THR C . 15769 1 270 . 1 1 34 34 THR CA C 13 61.446 0 . 1 . . . . 23 THR CA . 15769 1 271 . 1 1 34 34 THR CB C 13 71.265 0 . 1 . . . . 23 THR CB . 15769 1 272 . 1 1 34 34 THR CG2 C 13 22.133 0 . 1 . . . . 23 THR CG2 . 15769 1 273 . 1 1 34 34 THR N N 15 112.798 0 . 1 . . . . 23 THR N . 15769 1 274 . 1 1 35 35 VAL H H 1 9.002 0 . 1 . . . . 24 VAL H . 15769 1 275 . 1 1 35 35 VAL HA H 1 3.657 0 . 1 . . . . 24 VAL HA . 15769 1 276 . 1 1 35 35 VAL HB H 1 2.577 0 . 1 . . . . 24 VAL HB . 15769 1 277 . 1 1 35 35 VAL HG11 H 1 0.92 0 . 2 . . . . 24 VAL HG . 15769 1 278 . 1 1 35 35 VAL HG12 H 1 0.92 0 . 2 . . . . 24 VAL HG . 15769 1 279 . 1 1 35 35 VAL HG13 H 1 0.92 0 . 2 . . . . 24 VAL HG . 15769 1 280 . 1 1 35 35 VAL HG21 H 1 0.92 0 . 2 . . . . 24 VAL HG . 15769 1 281 . 1 1 35 35 VAL HG22 H 1 0.92 0 . 2 . . . . 24 VAL HG . 15769 1 282 . 1 1 35 35 VAL HG23 H 1 0.92 0 . 2 . . . . 24 VAL HG . 15769 1 283 . 1 1 35 35 VAL C C 13 178.017 0 . 1 . . . . 24 VAL C . 15769 1 284 . 1 1 35 35 VAL CA C 13 66.648 0 . 1 . . . . 24 VAL CA . 15769 1 285 . 1 1 35 35 VAL CB C 13 31.076 0 . 1 . . . . 24 VAL CB . 15769 1 286 . 1 1 35 35 VAL CG1 C 13 25.302 0 . 2 . . . . 24 VAL CG1 . 15769 1 287 . 1 1 35 35 VAL CG2 C 13 21.641 0 . 2 . . . . 24 VAL CG2 . 15769 1 288 . 1 1 35 35 VAL N N 15 123.292 0 . 1 . . . . 24 VAL N . 15769 1 289 . 1 1 36 36 LEU H H 1 8.263 0 . 1 . . . . 25 LEU H . 15769 1 290 . 1 1 36 36 LEU HA H 1 3.891 0 . 1 . . . . 25 LEU HA . 15769 1 291 . 1 1 36 36 LEU HB2 H 1 1.686 0 . 2 . . . . 25 LEU HB . 15769 1 292 . 1 1 36 36 LEU HB3 H 1 1.686 0 . 2 . . . . 25 LEU HB . 15769 1 293 . 1 1 36 36 LEU HD11 H 1 0.738 0 . 2 . . . . 25 LEU HD . 15769 1 294 . 1 1 36 36 LEU HD12 H 1 0.738 0 . 2 . . . . 25 LEU HD . 15769 1 295 . 1 1 36 36 LEU HD13 H 1 0.738 0 . 2 . . . . 25 LEU HD . 15769 1 296 . 1 1 36 36 LEU HD21 H 1 0.738 0 . 2 . . . . 25 LEU HD . 15769 1 297 . 1 1 36 36 LEU HD22 H 1 0.738 0 . 2 . . . . 25 LEU HD . 15769 1 298 . 1 1 36 36 LEU HD23 H 1 0.738 0 . 2 . . . . 25 LEU HD . 15769 1 299 . 1 1 36 36 LEU HG H 1 1.358 0 . 1 . . . . 25 LEU HG . 15769 1 300 . 1 1 36 36 LEU C C 13 178.586 0 . 1 . . . . 25 LEU C . 15769 1 301 . 1 1 36 36 LEU CA C 13 58.907 0 . 1 . . . . 25 LEU CA . 15769 1 302 . 1 1 36 36 LEU CB C 13 42.18 0 . 1 . . . . 25 LEU CB . 15769 1 303 . 1 1 36 36 LEU CD1 C 13 25.566 0 . 2 . . . . 25 LEU CD1 . 15769 1 304 . 1 1 36 36 LEU CD2 C 13 23.615 0 . 2 . . . . 25 LEU CD2 . 15769 1 305 . 1 1 36 36 LEU CG C 13 27.049 0 . 1 . . . . 25 LEU CG . 15769 1 306 . 1 1 36 36 LEU N N 15 122.078 0 . 1 . . . . 25 LEU N . 15769 1 307 . 1 1 37 37 GLN H H 1 7.661 0 . 1 . . . . 26 GLN H . 15769 1 308 . 1 1 37 37 GLN HA H 1 4 0 . 1 . . . . 26 GLN HA . 15769 1 309 . 1 1 37 37 GLN HB2 H 1 2.312 0 . 2 . . . . 26 GLN HB . 15769 1 310 . 1 1 37 37 GLN HB3 H 1 2.312 0 . 2 . . . . 26 GLN HB . 15769 1 311 . 1 1 37 37 GLN HG2 H 1 2.353 0 . 2 . . . . 26 GLN HG . 15769 1 312 . 1 1 37 37 GLN HG3 H 1 2.353 0 . 2 . . . . 26 GLN HG . 15769 1 313 . 1 1 37 37 GLN C C 13 180.294 0 . 1 . . . . 26 GLN C . 15769 1 314 . 1 1 37 37 GLN CA C 13 58.907 0 . 1 . . . . 26 GLN CA . 15769 1 315 . 1 1 37 37 GLN CB C 13 28.345 0 . 1 . . . . 26 GLN CB . 15769 1 316 . 1 1 37 37 GLN CG C 13 35.322 0 . 1 . . . . 26 GLN CG . 15769 1 317 . 1 1 37 37 GLN N N 15 117.539 0 . 1 . . . . 26 GLN N . 15769 1 318 . 1 1 38 38 PHE H H 1 8.614 0 . 1 . . . . 27 PHE H . 15769 1 319 . 1 1 38 38 PHE HA H 1 4.515 0 . 1 . . . . 27 PHE HA . 15769 1 320 . 1 1 38 38 PHE HB2 H 1 3.762 0 . 2 . . . . 27 PHE HB2 . 15769 1 321 . 1 1 38 38 PHE HB3 H 1 2.86 0 . 2 . . . . 27 PHE HB3 . 15769 1 322 . 1 1 38 38 PHE C C 13 176.993 0 . 1 . . . . 27 PHE C . 15769 1 323 . 1 1 38 38 PHE CA C 13 57.628 0 . 1 . . . . 27 PHE CA . 15769 1 324 . 1 1 38 38 PHE CB C 13 38.766 0 . 1 . . . . 27 PHE CB . 15769 1 325 . 1 1 38 38 PHE N N 15 124.052 0 . 1 . . . . 27 PHE N . 15769 1 326 . 1 1 39 39 LYS H H 1 8.733 0 . 1 . . . . 28 LYS H . 15769 1 327 . 1 1 39 39 LYS HA H 1 4.021 0 . 1 . . . . 28 LYS HA . 15769 1 328 . 1 1 39 39 LYS HB2 H 1 2.171 0 . 2 . . . . 28 LYS HB . 15769 1 329 . 1 1 39 39 LYS HB3 H 1 2.171 0 . 2 . . . . 28 LYS HB . 15769 1 330 . 1 1 39 39 LYS HD2 H 1 1.851 0 . 2 . . . . 28 LYS HD . 15769 1 331 . 1 1 39 39 LYS HD3 H 1 1.851 0 . 2 . . . . 28 LYS HD . 15769 1 332 . 1 1 39 39 LYS HE2 H 1 3.483 0 . 2 . . . . 28 LYS HE . 15769 1 333 . 1 1 39 39 LYS HE3 H 1 3.483 0 . 2 . . . . 28 LYS HE . 15769 1 334 . 1 1 39 39 LYS HG2 H 1 1.44 0 . 2 . . . . 28 LYS HG . 15769 1 335 . 1 1 39 39 LYS HG3 H 1 1.44 0 . 2 . . . . 28 LYS HG . 15769 1 336 . 1 1 39 39 LYS C C 13 180.408 0 . 1 . . . . 28 LYS C . 15769 1 337 . 1 1 39 39 LYS CA C 13 59.62 0 . 1 . . . . 28 LYS CA . 15769 1 338 . 1 1 39 39 LYS CB C 13 34.178 0 . 1 . . . . 28 LYS CB . 15769 1 339 . 1 1 39 39 LYS CD C 13 32.196 0 . 1 . . . . 28 LYS CD . 15769 1 340 . 1 1 39 39 LYS CG C 13 27.441 0 . 1 . . . . 28 LYS CG . 15769 1 341 . 1 1 39 39 LYS N N 15 119.725 0 . 1 . . . . 28 LYS N . 15769 1 342 . 1 1 40 40 GLU H H 1 8.247 0 . 1 . . . . 29 GLU H . 15769 1 343 . 1 1 40 40 GLU HA H 1 3.621 0 . 1 . . . . 29 GLU HA . 15769 1 344 . 1 1 40 40 GLU HB2 H 1 2.033 0 . 2 . . . . 29 GLU HB . 15769 1 345 . 1 1 40 40 GLU HB3 H 1 2.033 0 . 2 . . . . 29 GLU HB . 15769 1 346 . 1 1 40 40 GLU HG2 H 1 2.368 0 . 2 . . . . 29 GLU HG . 15769 1 347 . 1 1 40 40 GLU HG3 H 1 2.368 0 . 2 . . . . 29 GLU HG . 15769 1 348 . 1 1 40 40 GLU C C 13 179.286 0 . 1 . . . . 29 GLU C . 15769 1 349 . 1 1 40 40 GLU CA C 13 60.014 0 . 1 . . . . 29 GLU CA . 15769 1 350 . 1 1 40 40 GLU CB C 13 29.055 0 . 1 . . . . 29 GLU CB . 15769 1 351 . 1 1 40 40 GLU CG C 13 36.727 0 . 1 . . . . 29 GLU CG . 15769 1 352 . 1 1 40 40 GLU N N 15 120.924 0 . 1 . . . . 29 GLU N . 15769 1 353 . 1 1 41 41 ALA H H 1 7.858 0 . 1 . . . . 30 ALA H . 15769 1 354 . 1 1 41 41 ALA HA H 1 4.051 0 . 1 . . . . 30 ALA HA . 15769 1 355 . 1 1 41 41 ALA HB1 H 1 1.503 0 . 1 . . . . 30 ALA HB . 15769 1 356 . 1 1 41 41 ALA HB2 H 1 1.503 0 . 1 . . . . 30 ALA HB . 15769 1 357 . 1 1 41 41 ALA HB3 H 1 1.503 0 . 1 . . . . 30 ALA HB . 15769 1 358 . 1 1 41 41 ALA C C 13 181.465 0 . 1 . . . . 30 ALA C . 15769 1 359 . 1 1 41 41 ALA CA C 13 55.354 0 . 1 . . . . 30 ALA CA . 15769 1 360 . 1 1 41 41 ALA CB C 13 17.615 0 . 1 . . . . 30 ALA CB . 15769 1 361 . 1 1 41 41 ALA N N 15 123.654 0 . 1 . . . . 30 ALA N . 15769 1 362 . 1 1 42 42 ILE H H 1 8.475 0 . 1 . . . . 31 ILE H . 15769 1 363 . 1 1 42 42 ILE HA H 1 3.101 0 . 1 . . . . 31 ILE HA . 15769 1 364 . 1 1 42 42 ILE HB H 1 1.958 0 . 1 . . . . 31 ILE HB . 15769 1 365 . 1 1 42 42 ILE HD11 H 1 -0.102 0 . 1 . . . . 31 ILE HD1 . 15769 1 366 . 1 1 42 42 ILE HD12 H 1 -0.102 0 . 1 . . . . 31 ILE HD1 . 15769 1 367 . 1 1 42 42 ILE HD13 H 1 -0.102 0 . 1 . . . . 31 ILE HD1 . 15769 1 368 . 1 1 42 42 ILE HG12 H 1 1.518 0 . 2 . . . . 31 ILE HG1 . 15769 1 369 . 1 1 42 42 ILE HG13 H 1 1.518 0 . 2 . . . . 31 ILE HG1 . 15769 1 370 . 1 1 42 42 ILE HG21 H 1 0.281 0 . 1 . . . . 31 ILE HG2 . 15769 1 371 . 1 1 42 42 ILE HG22 H 1 0.281 0 . 1 . . . . 31 ILE HG2 . 15769 1 372 . 1 1 42 42 ILE HG23 H 1 0.281 0 . 1 . . . . 31 ILE HG2 . 15769 1 373 . 1 1 42 42 ILE C C 13 177.106 0 . 1 . . . . 31 ILE C . 15769 1 374 . 1 1 42 42 ILE CA C 13 66.105 0 . 1 . . . . 31 ILE CA . 15769 1 375 . 1 1 42 42 ILE CB C 13 36.864 0 . 1 . . . . 31 ILE CB . 15769 1 376 . 1 1 42 42 ILE CD1 C 13 14.484 0 . 1 . . . . 31 ILE CD1 . 15769 1 377 . 1 1 42 42 ILE CG1 C 13 30.093 0 . 1 . . . . 31 ILE CG1 . 15769 1 378 . 1 1 42 42 ILE CG2 C 13 17.216 0 . 1 . . . . 31 ILE CG2 . 15769 1 379 . 1 1 42 42 ILE N N 15 121.474 0 . 1 . . . . 31 ILE N . 15769 1 380 . 1 1 43 43 ASN H H 1 8.398 0 . 1 . . . . 32 ASN H . 15769 1 381 . 1 1 43 43 ASN HA H 1 3.952 0 . 1 . . . . 32 ASN HA . 15769 1 382 . 1 1 43 43 ASN HB2 H 1 2.511 0 . 2 . . . . 32 ASN HB . 15769 1 383 . 1 1 43 43 ASN HB3 H 1 2.511 0 . 2 . . . . 32 ASN HB . 15769 1 384 . 1 1 43 43 ASN C C 13 178.212 0 . 1 . . . . 32 ASN C . 15769 1 385 . 1 1 43 43 ASN CA C 13 57.347 0 . 1 . . . . 32 ASN CA . 15769 1 386 . 1 1 43 43 ASN CB C 13 40.247 0 . 1 . . . . 32 ASN CB . 15769 1 387 . 1 1 43 43 ASN N N 15 117.13 0 . 1 . . . . 32 ASN N . 15769 1 388 . 1 1 44 44 LYS H H 1 7.661 0 . 1 . . . . 33 LYS H . 15769 1 389 . 1 1 44 44 LYS HA H 1 3.77 0 . 1 . . . . 33 LYS HA . 15769 1 390 . 1 1 44 44 LYS HB2 H 1 1.798 0 . 2 . . . . 33 LYS HB . 15769 1 391 . 1 1 44 44 LYS HB3 H 1 1.798 0 . 2 . . . . 33 LYS HB . 15769 1 392 . 1 1 44 44 LYS HD2 H 1 1.798 0 . 2 . . . . 33 LYS HD . 15769 1 393 . 1 1 44 44 LYS HD3 H 1 1.798 0 . 2 . . . . 33 LYS HD . 15769 1 394 . 1 1 44 44 LYS HE2 H 1 2.868 0 . 2 . . . . 33 LYS HE . 15769 1 395 . 1 1 44 44 LYS HE3 H 1 2.868 0 . 2 . . . . 33 LYS HE . 15769 1 396 . 1 1 44 44 LYS HG2 H 1 1.515 0 . 2 . . . . 33 LYS HG . 15769 1 397 . 1 1 44 44 LYS HG3 H 1 1.515 0 . 2 . . . . 33 LYS HG . 15769 1 398 . 1 1 44 44 LYS C C 13 177.48 0 . 1 . . . . 33 LYS C . 15769 1 399 . 1 1 44 44 LYS CA C 13 59.136 0 . 1 . . . . 33 LYS CA . 15769 1 400 . 1 1 44 44 LYS CB C 13 31.903 0 . 1 . . . . 33 LYS CB . 15769 1 401 . 1 1 44 44 LYS CD C 13 28.922 0 . 1 . . . . 33 LYS CD . 15769 1 402 . 1 1 44 44 LYS CE C 13 42.346 0 . 1 . . . . 33 LYS CE . 15769 1 403 . 1 1 44 44 LYS CG C 13 25.332 0 . 1 . . . . 33 LYS CG . 15769 1 404 . 1 1 44 44 LYS N N 15 119.029 0 . 1 . . . . 33 LYS N . 15769 1 405 . 1 1 45 45 ALA H H 1 7.202 0 . 1 . . . . 34 ALA H . 15769 1 406 . 1 1 45 45 ALA HA H 1 4.201 0 . 1 . . . . 34 ALA HA . 15769 1 407 . 1 1 45 45 ALA HB1 H 1 1.206 0 . 1 . . . . 34 ALA HB . 15769 1 408 . 1 1 45 45 ALA HB2 H 1 1.206 0 . 1 . . . . 34 ALA HB . 15769 1 409 . 1 1 45 45 ALA HB3 H 1 1.206 0 . 1 . . . . 34 ALA HB . 15769 1 410 . 1 1 45 45 ALA C C 13 179.351 0 . 1 . . . . 34 ALA C . 15769 1 411 . 1 1 45 45 ALA CA C 13 54.007 0 . 1 . . . . 34 ALA CA . 15769 1 412 . 1 1 45 45 ALA CB C 13 18.785 0 . 1 . . . . 34 ALA CB . 15769 1 413 . 1 1 45 45 ALA N N 15 119.285 0 . 1 . . . . 34 ALA N . 15769 1 414 . 1 1 46 46 ASN H H 1 8.024 0 . 1 . . . . 35 ASN H . 15769 1 415 . 1 1 46 46 ASN HA H 1 4.473 0 . 1 . . . . 35 ASN HA . 15769 1 416 . 1 1 46 46 ASN HB2 H 1 2.12 0 . 2 . . . . 35 ASN HB . 15769 1 417 . 1 1 46 46 ASN HB3 H 1 2.12 0 . 2 . . . . 35 ASN HB . 15769 1 418 . 1 1 46 46 ASN C C 13 176.798 0 . 1 . . . . 35 ASN C . 15769 1 419 . 1 1 46 46 ASN CA C 13 51.733 0 . 1 . . . . 35 ASN CA . 15769 1 420 . 1 1 46 46 ASN CB C 13 38.555 0 . 1 . . . . 35 ASN CB . 15769 1 421 . 1 1 46 46 ASN N N 15 110.99 0 . 1 . . . . 35 ASN N . 15769 1 422 . 1 1 47 47 GLY H H 1 8.574 0 . 1 . . . . 36 GLY H . 15769 1 423 . 1 1 47 47 GLY HA2 H 1 3.831 0 . 2 . . . . 36 GLY HA2 . 15769 1 424 . 1 1 47 47 GLY HA3 H 1 3.509 0 . 2 . . . . 36 GLY HA3 . 15769 1 425 . 1 1 47 47 GLY C C 13 174.7 0 . 1 . . . . 36 GLY C . 15769 1 426 . 1 1 47 47 GLY CA C 13 46.007 0 . 1 . . . . 36 GLY CA . 15769 1 427 . 1 1 47 47 GLY N N 15 109.461 0 . 1 . . . . 36 GLY N . 15769 1 428 . 1 1 48 48 ILE H H 1 7.784 0 . 1 . . . . 37 ILE H . 15769 1 429 . 1 1 48 48 ILE HA H 1 4.028 0 . 1 . . . . 37 ILE HA . 15769 1 430 . 1 1 48 48 ILE HB H 1 1.443 0 . 1 . . . . 37 ILE HB . 15769 1 431 . 1 1 48 48 ILE HD11 H 1 0.675 0 . 1 . . . . 37 ILE HD1 . 15769 1 432 . 1 1 48 48 ILE HD12 H 1 0.675 0 . 1 . . . . 37 ILE HD1 . 15769 1 433 . 1 1 48 48 ILE HD13 H 1 0.675 0 . 1 . . . . 37 ILE HD1 . 15769 1 434 . 1 1 48 48 ILE HG12 H 1 1.332 0 . 2 . . . . 37 ILE HG1 . 15769 1 435 . 1 1 48 48 ILE HG13 H 1 1.332 0 . 2 . . . . 37 ILE HG1 . 15769 1 436 . 1 1 48 48 ILE HG21 H 1 0.766 0 . 1 . . . . 37 ILE HG2 . 15769 1 437 . 1 1 48 48 ILE HG22 H 1 0.766 0 . 1 . . . . 37 ILE HG2 . 15769 1 438 . 1 1 48 48 ILE HG23 H 1 0.766 0 . 1 . . . . 37 ILE HG2 . 15769 1 439 . 1 1 48 48 ILE C C 13 175.497 0 . 1 . . . . 37 ILE C . 15769 1 440 . 1 1 48 48 ILE CA C 13 59.833 0 . 1 . . . . 37 ILE CA . 15769 1 441 . 1 1 48 48 ILE N N 15 123.713 0 . 1 . . . . 37 ILE N . 15769 1 442 . 1 1 49 49 PRO HA H 1 4.005 0 . 1 . . . . 38 PRO HA . 15769 1 443 . 1 1 49 49 PRO HB2 H 1 1.902 0 . 2 . . . . 38 PRO HB . 15769 1 444 . 1 1 49 49 PRO HB3 H 1 1.902 0 . 2 . . . . 38 PRO HB . 15769 1 445 . 1 1 49 49 PRO HD2 H 1 3.37 0 . 2 . . . . 38 PRO HD . 15769 1 446 . 1 1 49 49 PRO HD3 H 1 3.37 0 . 2 . . . . 38 PRO HD . 15769 1 447 . 1 1 49 49 PRO HG2 H 1 1.702 0 . 2 . . . . 38 PRO HG . 15769 1 448 . 1 1 49 49 PRO HG3 H 1 1.702 0 . 2 . . . . 38 PRO HG . 15769 1 449 . 1 1 49 49 PRO C C 13 177.773 0 . 1 . . . . 38 PRO C . 15769 1 450 . 1 1 49 49 PRO CA C 13 63.664 0 . 1 . . . . 38 PRO CA . 15769 1 451 . 1 1 49 49 PRO CB C 13 32.166 0 . 1 . . . . 38 PRO CB . 15769 1 452 . 1 1 49 49 PRO CD C 13 51.795 0 . 1 . . . . 38 PRO CD . 15769 1 453 . 1 1 49 49 PRO CG C 13 28.21 0 . 1 . . . . 38 PRO CG . 15769 1 454 . 1 1 50 50 VAL H H 1 8.622 0 . 1 . . . . 39 VAL H . 15769 1 455 . 1 1 50 50 VAL HA H 1 3.294 0 . 1 . . . . 39 VAL HA . 15769 1 456 . 1 1 50 50 VAL HB H 1 1.74 0 . 1 . . . . 39 VAL HB . 15769 1 457 . 1 1 50 50 VAL HG11 H 1 0.731 0 . 2 . . . . 39 VAL HG . 15769 1 458 . 1 1 50 50 VAL HG12 H 1 0.731 0 . 2 . . . . 39 VAL HG . 15769 1 459 . 1 1 50 50 VAL HG13 H 1 0.731 0 . 2 . . . . 39 VAL HG . 15769 1 460 . 1 1 50 50 VAL HG21 H 1 0.731 0 . 2 . . . . 39 VAL HG . 15769 1 461 . 1 1 50 50 VAL HG22 H 1 0.731 0 . 2 . . . . 39 VAL HG . 15769 1 462 . 1 1 50 50 VAL HG23 H 1 0.731 0 . 2 . . . . 39 VAL HG . 15769 1 463 . 1 1 50 50 VAL C C 13 179.058 0 . 1 . . . . 39 VAL C . 15769 1 464 . 1 1 50 50 VAL CA C 13 67.34 0 . 1 . . . . 39 VAL CA . 15769 1 465 . 1 1 50 50 VAL CB C 13 32.166 0 . 1 . . . . 39 VAL CB . 15769 1 466 . 1 1 50 50 VAL CG1 C 13 22.445 0 . 2 . . . . 39 VAL CG1 . 15769 1 467 . 1 1 50 50 VAL CG2 C 13 21.196 0 . 2 . . . . 39 VAL CG2 . 15769 1 468 . 1 1 50 50 VAL N N 15 124.291 0 . 1 . . . . 39 VAL N . 15769 1 469 . 1 1 51 51 ALA H H 1 8.567 0 . 1 . . . . 40 ALA H . 15769 1 470 . 1 1 51 51 ALA HA H 1 3.891 0 . 1 . . . . 40 ALA HA . 15769 1 471 . 1 1 51 51 ALA HB1 H 1 1.211 0 . 1 . . . . 40 ALA HB . 15769 1 472 . 1 1 51 51 ALA HB2 H 1 1.211 0 . 1 . . . . 40 ALA HB . 15769 1 473 . 1 1 51 51 ALA HB3 H 1 1.211 0 . 1 . . . . 40 ALA HB . 15769 1 474 . 1 1 51 51 ALA C C 13 177.578 0 . 1 . . . . 40 ALA C . 15769 1 475 . 1 1 51 51 ALA CA C 13 54.147 0 . 1 . . . . 40 ALA CA . 15769 1 476 . 1 1 51 51 ALA CB C 13 18.737 0 . 1 . . . . 40 ALA CB . 15769 1 477 . 1 1 51 51 ALA N N 15 117.981 0 . 1 . . . . 40 ALA N . 15769 1 478 . 1 1 52 52 ASN H H 1 7.565 0 . 1 . . . . 41 ASN H . 15769 1 479 . 1 1 52 52 ASN HA H 1 4.787 0 . 1 . . . . 41 ASN HA . 15769 1 480 . 1 1 52 52 ASN HB2 H 1 3.015 0 . 2 . . . . 41 ASN HB2 . 15769 1 481 . 1 1 52 52 ASN HB3 H 1 2.297 0 . 2 . . . . 41 ASN HB3 . 15769 1 482 . 1 1 52 52 ASN C C 13 174.245 0 . 1 . . . . 41 ASN C . 15769 1 483 . 1 1 52 52 ASN CA C 13 52.716 0 . 1 . . . . 41 ASN CA . 15769 1 484 . 1 1 52 52 ASN CB C 13 39.595 0 . 1 . . . . 41 ASN CB . 15769 1 485 . 1 1 52 52 ASN N N 15 113.028 0 . 1 . . . . 41 ASN N . 15769 1 486 . 1 1 53 53 GLN H H 1 7.177 0 . 1 . . . . 42 GLN H . 15769 1 487 . 1 1 53 53 GLN HA H 1 3.933 0 . 1 . . . . 42 GLN HA . 15769 1 488 . 1 1 53 53 GLN HB2 H 1 1.351 0 . 2 . . . . 42 GLN HB . 15769 1 489 . 1 1 53 53 GLN HB3 H 1 1.351 0 . 2 . . . . 42 GLN HB . 15769 1 490 . 1 1 53 53 GLN HG2 H 1 2.49 0 . 2 . . . . 42 GLN HG . 15769 1 491 . 1 1 53 53 GLN HG3 H 1 2.49 0 . 2 . . . . 42 GLN HG . 15769 1 492 . 1 1 53 53 GLN C C 13 175.041 0 . 1 . . . . 42 GLN C . 15769 1 493 . 1 1 53 53 GLN CA C 13 56.617 0 . 1 . . . . 42 GLN CA . 15769 1 494 . 1 1 53 53 GLN CB C 13 30.426 0 . 1 . . . . 42 GLN CB . 15769 1 495 . 1 1 53 53 GLN CG C 13 33.059 0 . 1 . . . . 42 GLN CG . 15769 1 496 . 1 1 53 53 GLN N N 15 117.725 0 . 1 . . . . 42 GLN N . 15769 1 497 . 1 1 54 54 ARG H H 1 8.099 0 . 1 . . . . 43 ARG H . 15769 1 498 . 1 1 54 54 ARG HA H 1 4.333 0 . 1 . . . . 43 ARG HA . 15769 1 499 . 1 1 54 54 ARG HB2 H 1 1.602 0 . 2 . . . . 43 ARG HB . 15769 1 500 . 1 1 54 54 ARG HB3 H 1 1.602 0 . 2 . . . . 43 ARG HB . 15769 1 501 . 1 1 54 54 ARG HD2 H 1 2.935 0 . 2 . . . . 43 ARG HD . 15769 1 502 . 1 1 54 54 ARG HD3 H 1 2.935 0 . 2 . . . . 43 ARG HD . 15769 1 503 . 1 1 54 54 ARG HG2 H 1 1.175 0 . 2 . . . . 43 ARG HG . 15769 1 504 . 1 1 54 54 ARG HG3 H 1 1.175 0 . 2 . . . . 43 ARG HG . 15769 1 505 . 1 1 54 54 ARG C C 13 174.245 0 . 1 . . . . 43 ARG C . 15769 1 506 . 1 1 54 54 ARG CA C 13 55.158 0 . 1 . . . . 43 ARG CA . 15769 1 507 . 1 1 54 54 ARG CB C 13 31.331 0 . 1 . . . . 43 ARG CB . 15769 1 508 . 1 1 54 54 ARG CD C 13 43.907 0 . 1 . . . . 43 ARG CD . 15769 1 509 . 1 1 54 54 ARG CG C 13 27.127 0 . 1 . . . . 43 ARG CG . 15769 1 510 . 1 1 54 54 ARG N N 15 124.759 0 . 1 . . . . 43 ARG N . 15769 1 511 . 1 1 55 55 LEU H H 1 8.371 0 . 1 . . . . 44 LEU H . 15769 1 512 . 1 1 55 55 LEU HA H 1 5.32 0 . 1 . . . . 44 LEU HA . 15769 1 513 . 1 1 55 55 LEU HB2 H 1 1.446 0 . 2 . . . . 44 LEU HB . 15769 1 514 . 1 1 55 55 LEU HB3 H 1 1.446 0 . 2 . . . . 44 LEU HB . 15769 1 515 . 1 1 55 55 LEU HD11 H 1 0.473 0 . 2 . . . . 44 LEU HD1 . 15769 1 516 . 1 1 55 55 LEU HD12 H 1 0.473 0 . 2 . . . . 44 LEU HD1 . 15769 1 517 . 1 1 55 55 LEU HD13 H 1 0.473 0 . 2 . . . . 44 LEU HD1 . 15769 1 518 . 1 1 55 55 LEU HD21 H 1 0.315 0 . 2 . . . . 44 LEU HD2 . 15769 1 519 . 1 1 55 55 LEU HD22 H 1 0.315 0 . 2 . . . . 44 LEU HD2 . 15769 1 520 . 1 1 55 55 LEU HD23 H 1 0.315 0 . 2 . . . . 44 LEU HD2 . 15769 1 521 . 1 1 55 55 LEU HG H 1 0.893 0 . 1 . . . . 44 LEU HG . 15769 1 522 . 1 1 55 55 LEU C C 13 175.789 0 . 1 . . . . 44 LEU C . 15769 1 523 . 1 1 55 55 LEU CA C 13 52.716 0 . 1 . . . . 44 LEU CA . 15769 1 524 . 1 1 55 55 LEU CB C 13 44.537 0 . 1 . . . . 44 LEU CB . 15769 1 525 . 1 1 55 55 LEU CD1 C 13 22.523 0 . 2 . . . . 44 LEU CD1 . 15769 1 526 . 1 1 55 55 LEU CD2 C 13 22.523 0 . 2 . . . . 44 LEU CD2 . 15769 1 527 . 1 1 55 55 LEU CG C 13 27.44 0 . 1 . . . . 44 LEU CG . 15769 1 528 . 1 1 55 55 LEU N N 15 124.716 0 . 1 . . . . 44 LEU N . 15769 1 529 . 1 1 56 56 ILE H H 1 9.129 0 . 1 . . . . 45 ILE H . 15769 1 530 . 1 1 56 56 ILE HA H 1 4.901 0 . 1 . . . . 45 ILE HA . 15769 1 531 . 1 1 56 56 ILE HB H 1 1.549 0 . 1 . . . . 45 ILE HB . 15769 1 532 . 1 1 56 56 ILE HD11 H 1 0.559 0 . 1 . . . . 45 ILE HD1 . 15769 1 533 . 1 1 56 56 ILE HD12 H 1 0.559 0 . 1 . . . . 45 ILE HD1 . 15769 1 534 . 1 1 56 56 ILE HD13 H 1 0.559 0 . 1 . . . . 45 ILE HD1 . 15769 1 535 . 1 1 56 56 ILE HG12 H 1 1.237 0 . 2 . . . . 45 ILE HG1 . 15769 1 536 . 1 1 56 56 ILE HG13 H 1 1.237 0 . 2 . . . . 45 ILE HG1 . 15769 1 537 . 1 1 56 56 ILE HG21 H 1 0.559 0 . 1 . . . . 45 ILE HG2 . 15769 1 538 . 1 1 56 56 ILE HG22 H 1 0.559 0 . 1 . . . . 45 ILE HG2 . 15769 1 539 . 1 1 56 56 ILE HG23 H 1 0.559 0 . 1 . . . . 45 ILE HG2 . 15769 1 540 . 1 1 56 56 ILE C C 13 175.692 0 . 1 . . . . 45 ILE C . 15769 1 541 . 1 1 56 56 ILE CA C 13 60.014 0 . 1 . . . . 45 ILE CA . 15769 1 542 . 1 1 56 56 ILE CB C 13 41.416 0 . 1 . . . . 45 ILE CB . 15769 1 543 . 1 1 56 56 ILE CD1 C 13 14.328 0 . 1 . . . . 45 ILE CD1 . 15769 1 544 . 1 1 56 56 ILE CG1 C 13 28.22 0 . 1 . . . . 45 ILE CG1 . 15769 1 545 . 1 1 56 56 ILE CG2 C 13 18.152 0 . 1 . . . . 45 ILE CG2 . 15769 1 546 . 1 1 56 56 ILE N N 15 121.38 0 . 1 . . . . 45 ILE N . 15769 1 547 . 1 1 57 57 TYR H H 1 8.948 0 . 1 . . . . 46 TYR H . 15769 1 548 . 1 1 57 57 TYR HA H 1 4.443 0 . 1 . . . . 46 TYR HA . 15769 1 549 . 1 1 57 57 TYR HB2 H 1 2.73 0 . 2 . . . . 46 TYR HB . 15769 1 550 . 1 1 57 57 TYR HB3 H 1 2.73 0 . 2 . . . . 46 TYR HB . 15769 1 551 . 1 1 57 57 TYR C C 13 175.204 0 . 1 . . . . 46 TYR C . 15769 1 552 . 1 1 57 57 TYR CA C 13 56.561 0 . 1 . . . . 46 TYR CA . 15769 1 553 . 1 1 57 57 TYR CB C 13 43.042 0 . 1 . . . . 46 TYR CB . 15769 1 554 . 1 1 57 57 TYR N N 15 126.549 0 . 1 . . . . 46 TYR N . 15769 1 555 . 1 1 58 58 SER H H 1 8.999 0 . 1 . . . . 47 SER H . 15769 1 556 . 1 1 58 58 SER HA H 1 3.796 0 . 1 . . . . 47 SER HA . 15769 1 557 . 1 1 58 58 SER HB2 H 1 2.998 0 . 2 . . . . 47 SER HB . 15769 1 558 . 1 1 58 58 SER HB3 H 1 2.998 0 . 2 . . . . 47 SER HB . 15769 1 559 . 1 1 58 58 SER C C 13 175.334 0 . 1 . . . . 47 SER C . 15769 1 560 . 1 1 58 58 SER CA C 13 58.033 0 . 1 . . . . 47 SER CA . 15769 1 561 . 1 1 58 58 SER CB C 13 62.74 0 . 1 . . . . 47 SER CB . 15769 1 562 . 1 1 58 58 SER N N 15 125.469 0 . 1 . . . . 47 SER N . 15769 1 563 . 1 1 59 59 GLY H H 1 8.196 0 . 1 . . . . 48 GLY H . 15769 1 564 . 1 1 59 59 GLY HA2 H 1 3.974 0 . 2 . . . . 48 GLY HA2 . 15769 1 565 . 1 1 59 59 GLY HA3 H 1 3.314 0 . 2 . . . . 48 GLY HA3 . 15769 1 566 . 1 1 59 59 GLY C C 13 173.708 0 . 1 . . . . 48 GLY C . 15769 1 567 . 1 1 59 59 GLY CA C 13 45.361 0 . 1 . . . . 48 GLY CA . 15769 1 568 . 1 1 59 59 GLY N N 15 102.953 0 . 1 . . . . 48 GLY N . 15769 1 569 . 1 1 60 60 LYS H H 1 7.88 0 . 1 . . . . 49 LYS H . 15769 1 570 . 1 1 60 60 LYS HA H 1 4.269 0 . 1 . . . . 49 LYS HA . 15769 1 571 . 1 1 60 60 LYS HB2 H 1 1.798 0 . 2 . . . . 49 LYS HB . 15769 1 572 . 1 1 60 60 LYS HB3 H 1 1.798 0 . 2 . . . . 49 LYS HB . 15769 1 573 . 1 1 60 60 LYS HD2 H 1 1.798 0 . 2 . . . . 49 LYS HD . 15769 1 574 . 1 1 60 60 LYS HD3 H 1 1.798 0 . 2 . . . . 49 LYS HD . 15769 1 575 . 1 1 60 60 LYS HE2 H 1 3.04 0 . 2 . . . . 49 LYS HE . 15769 1 576 . 1 1 60 60 LYS HE3 H 1 3.04 0 . 2 . . . . 49 LYS HE . 15769 1 577 . 1 1 60 60 LYS HG2 H 1 1.408 0 . 2 . . . . 49 LYS HG . 15769 1 578 . 1 1 60 60 LYS HG3 H 1 1.408 0 . 2 . . . . 49 LYS HG . 15769 1 579 . 1 1 60 60 LYS C C 13 174.83 0 . 1 . . . . 49 LYS C . 15769 1 580 . 1 1 60 60 LYS CA C 13 54.961 0 . 1 . . . . 49 LYS CA . 15769 1 581 . 1 1 60 60 LYS CB C 13 34.328 0 . 1 . . . . 49 LYS CB . 15769 1 582 . 1 1 60 60 LYS CD C 13 29.469 0 . 1 . . . . 49 LYS CD . 15769 1 583 . 1 1 60 60 LYS CE C 13 42.424 0 . 1 . . . . 49 LYS CE . 15769 1 584 . 1 1 60 60 LYS CG C 13 24.864 0 . 1 . . . . 49 LYS CG . 15769 1 585 . 1 1 60 60 LYS N N 15 121.61 0 . 1 . . . . 49 LYS N . 15769 1 586 . 1 1 61 61 ILE H H 1 8.317 0 . 1 . . . . 50 ILE H . 15769 1 587 . 1 1 61 61 ILE HA H 1 4.332 0 . 1 . . . . 50 ILE HA . 15769 1 588 . 1 1 61 61 ILE HB H 1 1.555 0 . 1 . . . . 50 ILE HB . 15769 1 589 . 1 1 61 61 ILE HD11 H 1 0.729 0 . 1 . . . . 50 ILE HD1 . 15769 1 590 . 1 1 61 61 ILE HD12 H 1 0.729 0 . 1 . . . . 50 ILE HD1 . 15769 1 591 . 1 1 61 61 ILE HD13 H 1 0.729 0 . 1 . . . . 50 ILE HD1 . 15769 1 592 . 1 1 61 61 ILE HG12 H 1 1.549 0 . 2 . . . . 50 ILE HG1 . 15769 1 593 . 1 1 61 61 ILE HG13 H 1 1.549 0 . 2 . . . . 50 ILE HG1 . 15769 1 594 . 1 1 61 61 ILE HG21 H 1 0.729 0 . 1 . . . . 50 ILE HG2 . 15769 1 595 . 1 1 61 61 ILE HG22 H 1 0.729 0 . 1 . . . . 50 ILE HG2 . 15769 1 596 . 1 1 61 61 ILE HG23 H 1 0.729 0 . 1 . . . . 50 ILE HG2 . 15769 1 597 . 1 1 61 61 ILE C C 13 177.009 0 . 1 . . . . 50 ILE C . 15769 1 598 . 1 1 61 61 ILE CA C 13 60.856 0 . 1 . . . . 50 ILE CA . 15769 1 599 . 1 1 61 61 ILE CB C 13 37.969 0 . 1 . . . . 50 ILE CB . 15769 1 600 . 1 1 61 61 ILE CD1 C 13 13.548 0 . 1 . . . . 50 ILE CD1 . 15769 1 601 . 1 1 61 61 ILE CG1 C 13 29 0 . 1 . . . . 50 ILE CG1 . 15769 1 602 . 1 1 61 61 ILE CG2 C 13 18.074 0 . 1 . . . . 50 ILE CG2 . 15769 1 603 . 1 1 61 61 ILE N N 15 123.061 0 . 1 . . . . 50 ILE N . 15769 1 604 . 1 1 62 62 LEU H H 1 8.475 0 . 1 . . . . 51 LEU H . 15769 1 605 . 1 1 62 62 LEU HA H 1 3.739 0 . 1 . . . . 51 LEU HA . 15769 1 606 . 1 1 62 62 LEU HB2 H 1 1.058 0 . 2 . . . . 51 LEU HB . 15769 1 607 . 1 1 62 62 LEU HB3 H 1 1.058 0 . 2 . . . . 51 LEU HB . 15769 1 608 . 1 1 62 62 LEU HD11 H 1 0.487 0 . 2 . . . . 51 LEU HD . 15769 1 609 . 1 1 62 62 LEU HD12 H 1 0.487 0 . 2 . . . . 51 LEU HD . 15769 1 610 . 1 1 62 62 LEU HD13 H 1 0.487 0 . 2 . . . . 51 LEU HD . 15769 1 611 . 1 1 62 62 LEU HD21 H 1 0.487 0 . 2 . . . . 51 LEU HD . 15769 1 612 . 1 1 62 62 LEU HD22 H 1 0.487 0 . 2 . . . . 51 LEU HD . 15769 1 613 . 1 1 62 62 LEU HD23 H 1 0.487 0 . 2 . . . . 51 LEU HD . 15769 1 614 . 1 1 62 62 LEU HG H 1 1.058 0 . 1 . . . . 51 LEU HG . 15769 1 615 . 1 1 62 62 LEU C C 13 176.668 0 . 1 . . . . 51 LEU C . 15769 1 616 . 1 1 62 62 LEU CA C 13 55.354 0 . 1 . . . . 51 LEU CA . 15769 1 617 . 1 1 62 62 LEU CB C 13 41.741 0 . 1 . . . . 51 LEU CB . 15769 1 618 . 1 1 62 62 LEU CD1 C 13 20.18 0 . 2 . . . . 51 LEU CD1 . 15769 1 619 . 1 1 62 62 LEU CD2 C 13 20.18 0 . 2 . . . . 51 LEU CD2 . 15769 1 620 . 1 1 62 62 LEU N N 15 126.904 0 . 1 . . . . 51 LEU N . 15769 1 621 . 1 1 63 63 LYS H H 1 8.305 0 . 1 . . . . 52 LYS H . 15769 1 622 . 1 1 63 63 LYS HA H 1 4.37 0 . 1 . . . . 52 LYS HA . 15769 1 623 . 1 1 63 63 LYS HB2 H 1 1.888 0 . 2 . . . . 52 LYS HB . 15769 1 624 . 1 1 63 63 LYS HB3 H 1 1.888 0 . 2 . . . . 52 LYS HB . 15769 1 625 . 1 1 63 63 LYS HD2 H 1 1.65 0 . 2 . . . . 52 LYS HD . 15769 1 626 . 1 1 63 63 LYS HD3 H 1 1.65 0 . 2 . . . . 52 LYS HD . 15769 1 627 . 1 1 63 63 LYS HE2 H 1 2.957 0 . 2 . . . . 52 LYS HE . 15769 1 628 . 1 1 63 63 LYS HE3 H 1 2.957 0 . 2 . . . . 52 LYS HE . 15769 1 629 . 1 1 63 63 LYS HG2 H 1 1.488 0 . 2 . . . . 52 LYS HG . 15769 1 630 . 1 1 63 63 LYS HG3 H 1 1.488 0 . 2 . . . . 52 LYS HG . 15769 1 631 . 1 1 63 63 LYS C C 13 177.48 0 . 1 . . . . 52 LYS C . 15769 1 632 . 1 1 63 63 LYS CA C 13 55.635 0 . 1 . . . . 52 LYS CA . 15769 1 633 . 1 1 63 63 LYS CB C 13 34.442 0 . 1 . . . . 52 LYS CB . 15769 1 634 . 1 1 63 63 LYS CD C 13 25.176 0 . 1 . . . . 52 LYS CD . 15769 1 635 . 1 1 63 63 LYS CE C 13 42.268 0 . 1 . . . . 52 LYS CE . 15769 1 636 . 1 1 63 63 LYS CG C 13 29.156 0 . 1 . . . . 52 LYS CG . 15769 1 637 . 1 1 63 63 LYS N N 15 123.424 0 . 1 . . . . 52 LYS N . 15769 1 638 . 1 1 64 64 ASP H H 1 8.061 0 . 1 . . . . 53 ASP H . 15769 1 639 . 1 1 64 64 ASP HA H 1 4.165 0 . 1 . . . . 53 ASP HA . 15769 1 640 . 1 1 64 64 ASP HB2 H 1 2.45 0 . 2 . . . . 53 ASP HB . 15769 1 641 . 1 1 64 64 ASP HB3 H 1 2.45 0 . 2 . . . . 53 ASP HB . 15769 1 642 . 1 1 64 64 ASP C C 13 176.424 0 . 1 . . . . 53 ASP C . 15769 1 643 . 1 1 64 64 ASP CA C 13 58.021 0 . 1 . . . . 53 ASP CA . 15769 1 644 . 1 1 64 64 ASP CB C 13 42.131 0 . 1 . . . . 53 ASP CB . 15769 1 645 . 1 1 64 64 ASP N N 15 120.619 0 . 1 . . . . 53 ASP N . 15769 1 646 . 1 1 65 65 ASP H H 1 8.216 0 . 1 . . . . 54 ASP H . 15769 1 647 . 1 1 65 65 ASP HA H 1 4.509 0 . 1 . . . . 54 ASP HA . 15769 1 648 . 1 1 65 65 ASP HB2 H 1 2.788 0 . 2 . . . . 54 ASP HB2 . 15769 1 649 . 1 1 65 65 ASP HB3 H 1 2.504 0 . 2 . . . . 54 ASP HB3 . 15769 1 650 . 1 1 65 65 ASP C C 13 176.521 0 . 1 . . . . 54 ASP C . 15769 1 651 . 1 1 65 65 ASP CA C 13 53.558 0 . 1 . . . . 54 ASP CA . 15769 1 652 . 1 1 65 65 ASP CB C 13 40.31 0 . 1 . . . . 54 ASP CB . 15769 1 653 . 1 1 65 65 ASP N N 15 112.865 0 . 1 . . . . 54 ASP N . 15769 1 654 . 1 1 66 66 GLN H H 1 7.679 0 . 1 . . . . 55 GLN H . 15769 1 655 . 1 1 66 66 GLN HA H 1 4.411 0 . 1 . . . . 55 GLN HA . 15769 1 656 . 1 1 66 66 GLN HB2 H 1 1.689 0 . 2 . . . . 55 GLN HB . 15769 1 657 . 1 1 66 66 GLN HB3 H 1 1.689 0 . 2 . . . . 55 GLN HB . 15769 1 658 . 1 1 66 66 GLN HG2 H 1 2.285 0 . 2 . . . . 55 GLN HG . 15769 1 659 . 1 1 66 66 GLN HG3 H 1 2.285 0 . 2 . . . . 55 GLN HG . 15769 1 660 . 1 1 66 66 GLN C C 13 175.676 0 . 1 . . . . 55 GLN C . 15769 1 661 . 1 1 66 66 GLN CA C 13 53.782 0 . 1 . . . . 55 GLN CA . 15769 1 662 . 1 1 66 66 GLN CB C 13 30.952 0 . 1 . . . . 55 GLN CB . 15769 1 663 . 1 1 66 66 GLN CG C 13 34.854 0 . 1 . . . . 55 GLN CG . 15769 1 664 . 1 1 66 66 GLN N N 15 118.841 0 . 1 . . . . 55 GLN N . 15769 1 665 . 1 1 67 67 THR H H 1 8.245 0 . 1 . . . . 56 THR H . 15769 1 666 . 1 1 67 67 THR HA H 1 4.857 0 . 1 . . . . 56 THR HA . 15769 1 667 . 1 1 67 67 THR HB H 1 4.355 0 . 1 . . . . 56 THR HB . 15769 1 668 . 1 1 67 67 THR HG21 H 1 1.057 0 . 2 . . . . 56 THR HG2 . 15769 1 669 . 1 1 67 67 THR HG22 H 1 1.057 0 . 2 . . . . 56 THR HG2 . 15769 1 670 . 1 1 67 67 THR HG23 H 1 1.057 0 . 2 . . . . 56 THR HG2 . 15769 1 671 . 1 1 67 67 THR C C 13 177.741 0 . 1 . . . . 56 THR C . 15769 1 672 . 1 1 67 67 THR CA C 13 60.351 0 . 1 . . . . 56 THR CA . 15769 1 673 . 1 1 67 67 THR CB C 13 71.389 0 . 1 . . . . 56 THR CB . 15769 1 674 . 1 1 67 67 THR CG2 C 13 22.289 0 . 1 . . . . 56 THR CG2 . 15769 1 675 . 1 1 67 67 THR N N 15 107.889 0 . 1 . . . . 56 THR N . 15769 1 676 . 1 1 68 68 VAL H H 1 8.679 0 . 1 . . . . 57 VAL H . 15769 1 677 . 1 1 68 68 VAL HA H 1 3.276 0 . 1 . . . . 57 VAL HA . 15769 1 678 . 1 1 68 68 VAL HB H 1 1.947 0 . 1 . . . . 57 VAL HB . 15769 1 679 . 1 1 68 68 VAL HG11 H 1 0.292 0 . 2 . . . . 57 VAL HG . 15769 1 680 . 1 1 68 68 VAL HG12 H 1 0.292 0 . 2 . . . . 57 VAL HG . 15769 1 681 . 1 1 68 68 VAL HG13 H 1 0.292 0 . 2 . . . . 57 VAL HG . 15769 1 682 . 1 1 68 68 VAL HG21 H 1 0.292 0 . 2 . . . . 57 VAL HG . 15769 1 683 . 1 1 68 68 VAL HG22 H 1 0.292 0 . 2 . . . . 57 VAL HG . 15769 1 684 . 1 1 68 68 VAL HG23 H 1 0.292 0 . 2 . . . . 57 VAL HG . 15769 1 685 . 1 1 68 68 VAL C C 13 179.204 0 . 1 . . . . 57 VAL C . 15769 1 686 . 1 1 68 68 VAL CA C 13 67.986 0 . 1 . . . . 57 VAL CA . 15769 1 687 . 1 1 68 68 VAL CB C 13 31.331 0 . 1 . . . . 57 VAL CB . 15769 1 688 . 1 1 68 68 VAL CG1 C 13 22.991 0 . 2 . . . . 57 VAL CG1 . 15769 1 689 . 1 1 68 68 VAL CG2 C 13 21.664 0 . 2 . . . . 57 VAL CG2 . 15769 1 690 . 1 1 68 68 VAL N N 15 122.854 0 . 1 . . . . 57 VAL N . 15769 1 691 . 1 1 69 69 GLU H H 1 8.521 0 . 1 . . . . 58 GLU H . 15769 1 692 . 1 1 69 69 GLU HA H 1 4.006 0 . 1 . . . . 58 GLU HA . 15769 1 693 . 1 1 69 69 GLU HB2 H 1 1.673 0 . 2 . . . . 58 GLU HB . 15769 1 694 . 1 1 69 69 GLU HB3 H 1 1.673 0 . 2 . . . . 58 GLU HB . 15769 1 695 . 1 1 69 69 GLU HG2 H 1 1.973 0 . 2 . . . . 58 GLU HG . 15769 1 696 . 1 1 69 69 GLU HG3 H 1 1.973 0 . 2 . . . . 58 GLU HG . 15769 1 697 . 1 1 69 69 GLU C C 13 179.806 0 . 1 . . . . 58 GLU C . 15769 1 698 . 1 1 69 69 GLU CA C 13 58.386 0 . 1 . . . . 58 GLU CA . 15769 1 699 . 1 1 69 69 GLU CB C 13 28.752 0 . 1 . . . . 58 GLU CB . 15769 1 700 . 1 1 69 69 GLU CG C 13 34.932 0 . 1 . . . . 58 GLU CG . 15769 1 701 . 1 1 69 69 GLU N N 15 116.449 0 . 1 . . . . 58 GLU N . 15769 1 702 . 1 1 70 70 SER H H 1 7.759 0 . 1 . . . . 59 SER H . 15769 1 703 . 1 1 70 70 SER HA H 1 3.759 0 . 1 . . . . 59 SER HA . 15769 1 704 . 1 1 70 70 SER HB2 H 1 3.759 0 . 2 . . . . 59 SER HB . 15769 1 705 . 1 1 70 70 SER HB3 H 1 3.759 0 . 2 . . . . 59 SER HB . 15769 1 706 . 1 1 70 70 SER C C 13 175.415 0 . 1 . . . . 59 SER C . 15769 1 707 . 1 1 70 70 SER CA C 13 61.526 0 . 1 . . . . 59 SER CA . 15769 1 708 . 1 1 70 70 SER CB C 13 62.437 0 . 1 . . . . 59 SER CB . 15769 1 709 . 1 1 70 70 SER N N 15 118.026 0 . 1 . . . . 59 SER N . 15769 1 710 . 1 1 71 71 TYR H H 1 7.09 0 . 1 . . . . 60 TYR H . 15769 1 711 . 1 1 71 71 TYR HA H 1 4.246 0 . 1 . . . . 60 TYR HA . 15769 1 712 . 1 1 71 71 TYR HB2 H 1 3.14 0 . 2 . . . . 60 TYR HB2 . 15769 1 713 . 1 1 71 71 TYR HB3 H 1 2.504 0 . 2 . . . . 60 TYR HB3 . 15769 1 714 . 1 1 71 71 TYR C C 13 175.383 0 . 1 . . . . 60 TYR C . 15769 1 715 . 1 1 71 71 TYR CA C 13 59.817 0 . 1 . . . . 60 TYR CA . 15769 1 716 . 1 1 71 71 TYR CB C 13 39.525 0 . 1 . . . . 60 TYR CB . 15769 1 717 . 1 1 71 71 TYR N N 15 118.376 0 . 1 . . . . 60 TYR N . 15769 1 718 . 1 1 72 72 HIS H H 1 8.009 0 . 1 . . . . 61 HIS H . 15769 1 719 . 1 1 72 72 HIS HA H 1 4.123 0 . 1 . . . . 61 HIS HA . 15769 1 720 . 1 1 72 72 HIS HB2 H 1 3.498 0 . 2 . . . . 61 HIS HB2 . 15769 1 721 . 1 1 72 72 HIS HB3 H 1 3.276 0 . 2 . . . . 61 HIS HB3 . 15769 1 722 . 1 1 72 72 HIS C C 13 173.968 0 . 1 . . . . 61 HIS C . 15769 1 723 . 1 1 72 72 HIS CA C 13 56.168 0 . 1 . . . . 61 HIS CA . 15769 1 724 . 1 1 72 72 HIS CB C 13 26.199 0 . 1 . . . . 61 HIS CB . 15769 1 725 . 1 1 72 72 HIS N N 15 112.655 0 . 1 . . . . 61 HIS N . 15769 1 726 . 1 1 73 73 ILE H H 1 6.519 0 . 1 . . . . 62 ILE H . 15769 1 727 . 1 1 73 73 ILE HA H 1 3.352 0 . 1 . . . . 62 ILE HA . 15769 1 728 . 1 1 73 73 ILE HD11 H 1 0.287 0 . 1 . . . . 62 ILE HD1 . 15769 1 729 . 1 1 73 73 ILE HD12 H 1 0.287 0 . 1 . . . . 62 ILE HD1 . 15769 1 730 . 1 1 73 73 ILE HD13 H 1 0.287 0 . 1 . . . . 62 ILE HD1 . 15769 1 731 . 1 1 73 73 ILE HG12 H 1 0.895 0 . 2 . . . . 62 ILE HG1 . 15769 1 732 . 1 1 73 73 ILE HG13 H 1 0.895 0 . 2 . . . . 62 ILE HG1 . 15769 1 733 . 1 1 73 73 ILE HG21 H 1 0.287 0 . 1 . . . . 62 ILE HG2 . 15769 1 734 . 1 1 73 73 ILE HG22 H 1 0.287 0 . 1 . . . . 62 ILE HG2 . 15769 1 735 . 1 1 73 73 ILE HG23 H 1 0.287 0 . 1 . . . . 62 ILE HG2 . 15769 1 736 . 1 1 73 73 ILE C C 13 174.993 0 . 1 . . . . 62 ILE C . 15769 1 737 . 1 1 73 73 ILE CA C 13 63.27 0 . 1 . . . . 62 ILE CA . 15769 1 738 . 1 1 73 73 ILE CB C 13 37.384 0 . 1 . . . . 62 ILE CB . 15769 1 739 . 1 1 73 73 ILE CD1 C 13 13.314 0 . 1 . . . . 62 ILE CD1 . 15769 1 740 . 1 1 73 73 ILE CG1 C 13 27.283 0 . 1 . . . . 62 ILE CG1 . 15769 1 741 . 1 1 73 73 ILE CG2 C 13 17.294 0 . 1 . . . . 62 ILE CG2 . 15769 1 742 . 1 1 73 73 ILE N N 15 118.127 0 . 1 . . . . 62 ILE N . 15769 1 743 . 1 1 74 74 GLN H H 1 6.107 0 . 1 . . . . 63 GLN H . 15769 1 744 . 1 1 74 74 GLN HA H 1 4.17 0 . 1 . . . . 63 GLN HA . 15769 1 745 . 1 1 74 74 GLN HB2 H 1 1.743 0 . 2 . . . . 63 GLN HB . 15769 1 746 . 1 1 74 74 GLN HB3 H 1 1.743 0 . 2 . . . . 63 GLN HB . 15769 1 747 . 1 1 74 74 GLN HG2 H 1 2.073 0 . 2 . . . . 63 GLN HG . 15769 1 748 . 1 1 74 74 GLN HG3 H 1 2.073 0 . 2 . . . . 63 GLN HG . 15769 1 749 . 1 1 74 74 GLN C C 13 174.537 0 . 1 . . . . 63 GLN C . 15769 1 750 . 1 1 74 74 GLN CA C 13 53.305 0 . 1 . . . . 63 GLN CA . 15769 1 751 . 1 1 74 74 GLN CB C 13 30.621 0 . 1 . . . . 63 GLN CB . 15769 1 752 . 1 1 74 74 GLN CG C 13 34.073 0 . 1 . . . . 63 GLN CG . 15769 1 753 . 1 1 74 74 GLN N N 15 123.214 0 . 1 . . . . 63 GLN N . 15769 1 754 . 1 1 75 75 ASP H H 1 8.235 0 . 1 . . . . 64 ASP H . 15769 1 755 . 1 1 75 75 ASP HA H 1 4.05 0 . 1 . . . . 64 ASP HA . 15769 1 756 . 1 1 75 75 ASP HB2 H 1 2.439 0 . 2 . . . . 64 ASP HB . 15769 1 757 . 1 1 75 75 ASP HB3 H 1 2.439 0 . 2 . . . . 64 ASP HB . 15769 1 758 . 1 1 75 75 ASP C C 13 177.627 0 . 1 . . . . 64 ASP C . 15769 1 759 . 1 1 75 75 ASP CA C 13 56.505 0 . 1 . . . . 64 ASP CA . 15769 1 760 . 1 1 75 75 ASP CB C 13 42.391 0 . 1 . . . . 64 ASP CB . 15769 1 761 . 1 1 75 75 ASP N N 15 118.324 0 . 1 . . . . 64 ASP N . 15769 1 762 . 1 1 76 76 GLY H H 1 9.176 0 . 1 . . . . 65 GLY H . 15769 1 763 . 1 1 76 76 GLY HA2 H 1 4.179 0 . 2 . . . . 65 GLY HA . 15769 1 764 . 1 1 76 76 GLY HA3 H 1 4.179 0 . 2 . . . . 65 GLY HA . 15769 1 765 . 1 1 76 76 GLY C C 13 175.237 0 . 1 . . . . 65 GLY C . 15769 1 766 . 1 1 76 76 GLY CA C 13 45.642 0 . 1 . . . . 65 GLY CA . 15769 1 767 . 1 1 76 76 GLY N N 15 113.142 0 . 1 . . . . 65 GLY N . 15769 1 768 . 1 1 77 77 HIS H H 1 8.015 0 . 1 . . . . 66 HIS H . 15769 1 769 . 1 1 77 77 HIS HA H 1 4.751 0 . 1 . . . . 66 HIS HA . 15769 1 770 . 1 1 77 77 HIS HB2 H 1 3.447 0 . 2 . . . . 66 HIS HB . 15769 1 771 . 1 1 77 77 HIS HB3 H 1 3.447 0 . 2 . . . . 66 HIS HB . 15769 1 772 . 1 1 77 77 HIS C C 13 174.066 0 . 1 . . . . 66 HIS C . 15769 1 773 . 1 1 77 77 HIS CA C 13 55.972 0 . 1 . . . . 66 HIS CA . 15769 1 774 . 1 1 77 77 HIS CB C 13 33.152 0 . 1 . . . . 66 HIS CB . 15769 1 775 . 1 1 77 77 HIS N N 15 119.754 0 . 1 . . . . 66 HIS N . 15769 1 776 . 1 1 78 78 SER H H 1 8.637 0 . 1 . . . . 67 SER H . 15769 1 777 . 1 1 78 78 SER HA H 1 5.797 0 . 1 . . . . 67 SER HA . 15769 1 778 . 1 1 78 78 SER HB2 H 1 3.654 0 . 2 . . . . 67 SER HB2 . 15769 1 779 . 1 1 78 78 SER HB3 H 1 3.446 0 . 2 . . . . 67 SER HB3 . 15769 1 780 . 1 1 78 78 SER C C 13 174.44 0 . 1 . . . . 67 SER C . 15769 1 781 . 1 1 78 78 SER CA C 13 57.804 0 . 1 . . . . 67 SER CA . 15769 1 782 . 1 1 78 78 SER CB C 13 65.868 0 . 1 . . . . 67 SER CB . 15769 1 783 . 1 1 78 78 SER N N 15 112.686 0 . 1 . . . . 67 SER N . 15769 1 784 . 1 1 79 79 VAL H H 1 9.001 0 . 1 . . . . 68 VAL H . 15769 1 785 . 1 1 79 79 VAL HA H 1 4.444 0 . 1 . . . . 68 VAL HA . 15769 1 786 . 1 1 79 79 VAL HB H 1 1.847 0 . 1 . . . . 68 VAL HB . 15769 1 787 . 1 1 79 79 VAL HG11 H 1 0.862 0 . 2 . . . . 68 VAL HG . 15769 1 788 . 1 1 79 79 VAL HG12 H 1 0.862 0 . 2 . . . . 68 VAL HG . 15769 1 789 . 1 1 79 79 VAL HG13 H 1 0.862 0 . 2 . . . . 68 VAL HG . 15769 1 790 . 1 1 79 79 VAL HG21 H 1 0.862 0 . 2 . . . . 68 VAL HG . 15769 1 791 . 1 1 79 79 VAL HG22 H 1 0.862 0 . 2 . . . . 68 VAL HG . 15769 1 792 . 1 1 79 79 VAL HG23 H 1 0.862 0 . 2 . . . . 68 VAL HG . 15769 1 793 . 1 1 79 79 VAL C C 13 174.456 0 . 1 . . . . 68 VAL C . 15769 1 794 . 1 1 79 79 VAL CA C 13 61.375 0 . 1 . . . . 68 VAL CA . 15769 1 795 . 1 1 79 79 VAL CB C 13 35.58 0 . 1 . . . . 68 VAL CB . 15769 1 796 . 1 1 79 79 VAL CG1 C 13 23.069 0 . 2 . . . . 68 VAL CG1 . 15769 1 797 . 1 1 79 79 VAL CG2 C 13 23.069 0 . 2 . . . . 68 VAL CG2 . 15769 1 798 . 1 1 79 79 VAL N N 15 122.415 0 . 1 . . . . 68 VAL N . 15769 1 799 . 1 1 80 80 HIS H H 1 8.944 0 . 1 . . . . 69 HIS H . 15769 1 800 . 1 1 80 80 HIS HA H 1 5.148 0 . 1 . . . . 69 HIS HA . 15769 1 801 . 1 1 80 80 HIS HB2 H 1 2.983 0 . 2 . . . . 69 HIS HB . 15769 1 802 . 1 1 80 80 HIS HB3 H 1 2.983 0 . 2 . . . . 69 HIS HB . 15769 1 803 . 1 1 80 80 HIS C C 13 173.887 0 . 1 . . . . 69 HIS C . 15769 1 804 . 1 1 80 80 HIS CA C 13 56 0 . 1 . . . . 69 HIS CA . 15769 1 805 . 1 1 80 80 HIS CB C 13 32.247 0 . 1 . . . . 69 HIS CB . 15769 1 806 . 1 1 80 80 HIS N N 15 125.464 0 . 1 . . . . 69 HIS N . 15769 1 807 . 1 1 81 81 LEU H H 1 8.807 0 . 1 . . . . 70 LEU H . 15769 1 808 . 1 1 81 81 LEU HA H 1 5.081 0 . 1 . . . . 70 LEU HA . 15769 1 809 . 1 1 81 81 LEU HB2 H 1 1.401 0 . 2 . . . . 70 LEU HB2 . 15769 1 810 . 1 1 81 81 LEU HB3 H 1 1.249 0 . 2 . . . . 70 LEU HB3 . 15769 1 811 . 1 1 81 81 LEU HD11 H 1 0.486 0 . 2 . . . . 70 LEU HD . 15769 1 812 . 1 1 81 81 LEU HD12 H 1 0.486 0 . 2 . . . . 70 LEU HD . 15769 1 813 . 1 1 81 81 LEU HD13 H 1 0.486 0 . 2 . . . . 70 LEU HD . 15769 1 814 . 1 1 81 81 LEU HD21 H 1 0.486 0 . 2 . . . . 70 LEU HD . 15769 1 815 . 1 1 81 81 LEU HD22 H 1 0.486 0 . 2 . . . . 70 LEU HD . 15769 1 816 . 1 1 81 81 LEU HD23 H 1 0.486 0 . 2 . . . . 70 LEU HD . 15769 1 817 . 1 1 81 81 LEU HG H 1 1.042 0 . 1 . . . . 70 LEU HG . 15769 1 818 . 1 1 81 81 LEU C C 13 175.708 0 . 1 . . . . 70 LEU C . 15769 1 819 . 1 1 81 81 LEU CA C 13 53.951 0 . 1 . . . . 70 LEU CA . 15769 1 820 . 1 1 81 81 LEU CB C 13 45.058 0 . 1 . . . . 70 LEU CB . 15769 1 821 . 1 1 81 81 LEU CD1 C 13 26.503 0 . 2 . . . . 70 LEU CD1 . 15769 1 822 . 1 1 81 81 LEU CD2 C 13 25.801 0 . 2 . . . . 70 LEU CD2 . 15769 1 823 . 1 1 81 81 LEU CG C 13 28.298 0 . 1 . . . . 70 LEU CG . 15769 1 824 . 1 1 81 81 LEU N N 15 124.738 0 . 1 . . . . 70 LEU N . 15769 1 825 . 1 1 82 82 VAL H H 1 9.367 0 . 1 . . . . 71 VAL H . 15769 1 826 . 1 1 82 82 VAL HA H 1 4.153 0 . 1 . . . . 71 VAL HA . 15769 1 827 . 1 1 82 82 VAL HB H 1 1.795 0 . 1 . . . . 71 VAL HB . 15769 1 828 . 1 1 82 82 VAL HG11 H 1 0.747 0 . 2 . . . . 71 VAL HG . 15769 1 829 . 1 1 82 82 VAL HG12 H 1 0.747 0 . 2 . . . . 71 VAL HG . 15769 1 830 . 1 1 82 82 VAL HG13 H 1 0.747 0 . 2 . . . . 71 VAL HG . 15769 1 831 . 1 1 82 82 VAL HG21 H 1 0.747 0 . 2 . . . . 71 VAL HG . 15769 1 832 . 1 1 82 82 VAL HG22 H 1 0.747 0 . 2 . . . . 71 VAL HG . 15769 1 833 . 1 1 82 82 VAL HG23 H 1 0.747 0 . 2 . . . . 71 VAL HG . 15769 1 834 . 1 1 82 82 VAL C C 13 174.944 0 . 1 . . . . 71 VAL C . 15769 1 835 . 1 1 82 82 VAL CA C 13 61.277 0 . 1 . . . . 71 VAL CA . 15769 1 836 . 1 1 82 82 VAL CB C 13 34.263 0 . 1 . . . . 71 VAL CB . 15769 1 837 . 1 1 82 82 VAL CG1 C 13 21.04 0 . 2 . . . . 71 VAL CG1 . 15769 1 838 . 1 1 82 82 VAL CG2 C 13 21.04 0 . 2 . . . . 71 VAL CG2 . 15769 1 839 . 1 1 82 82 VAL N N 15 129.921 0 . 1 . . . . 71 VAL N . 15769 1 840 . 1 1 83 83 LYS H H 1 8.545 0 . 1 . . . . 72 LYS H . 15769 1 841 . 1 1 83 83 LYS HA H 1 4.576 0 . 1 . . . . 72 LYS HA . 15769 1 842 . 1 1 83 83 LYS HB2 H 1 1.576 0 . 2 . . . . 72 LYS HB . 15769 1 843 . 1 1 83 83 LYS HB3 H 1 1.576 0 . 2 . . . . 72 LYS HB . 15769 1 844 . 1 1 83 83 LYS HD2 H 1 1.576 0 . 2 . . . . 72 LYS HD . 15769 1 845 . 1 1 83 83 LYS HD3 H 1 1.576 0 . 2 . . . . 72 LYS HD . 15769 1 846 . 1 1 83 83 LYS HE2 H 1 2.808 0 . 2 . . . . 72 LYS HE . 15769 1 847 . 1 1 83 83 LYS HE3 H 1 2.808 0 . 2 . . . . 72 LYS HE . 15769 1 848 . 1 1 83 83 LYS HG2 H 1 1.223 0 . 2 . . . . 72 LYS HG . 15769 1 849 . 1 1 83 83 LYS HG3 H 1 1.223 0 . 2 . . . . 72 LYS HG . 15769 1 850 . 1 1 83 83 LYS C C 13 176.765 0 . 1 . . . . 72 LYS C . 15769 1 851 . 1 1 83 83 LYS CA C 13 56.168 0 . 1 . . . . 72 LYS CA . 15769 1 852 . 1 1 83 83 LYS CB C 13 32.897 0 . 1 . . . . 72 LYS CB . 15769 1 853 . 1 1 83 83 LYS CD C 13 29.703 0 . 1 . . . . 72 LYS CD . 15769 1 854 . 1 1 83 83 LYS CE C 13 41.878 0 . 1 . . . . 72 LYS CE . 15769 1 855 . 1 1 83 83 LYS CG C 13 25.41 0 . 1 . . . . 72 LYS CG . 15769 1 856 . 1 1 83 83 LYS N N 15 126.503 0 . 1 . . . . 72 LYS N . 15769 1 857 . 1 1 84 84 SER H H 1 8.577 0 . 1 . . . . 73 SER H . 15769 1 858 . 1 1 84 84 SER HA H 1 4.324 0 . 1 . . . . 73 SER HA . 15769 1 859 . 1 1 84 84 SER HB2 H 1 3.526 0 . 2 . . . . 73 SER HB . 15769 1 860 . 1 1 84 84 SER HB3 H 1 3.526 0 . 2 . . . . 73 SER HB . 15769 1 861 . 1 1 84 84 SER C C 13 173.773 0 . 1 . . . . 73 SER C . 15769 1 862 . 1 1 84 84 SER CA C 13 57.572 0 . 1 . . . . 73 SER CA . 15769 1 863 . 1 1 84 84 SER CB C 13 64.713 0 . 1 . . . . 73 SER CB . 15769 1 864 . 1 1 84 84 SER N N 15 120.058 0 . 1 . . . . 73 SER N . 15769 1 865 . 1 1 85 85 GLN H H 1 8.351 0 . 1 . . . . 74 GLN H . 15769 1 866 . 1 1 85 85 GLN HA H 1 4.479 0 . 1 . . . . 74 GLN HA . 15769 1 867 . 1 1 85 85 GLN HB2 H 1 1.926 0 . 2 . . . . 74 GLN HB2 . 15769 1 868 . 1 1 85 85 GLN HB3 H 1 1.777 0 . 2 . . . . 74 GLN HB3 . 15769 1 869 . 1 1 85 85 GLN HG2 H 1 2.231 0 . 2 . . . . 74 GLN HG . 15769 1 870 . 1 1 85 85 GLN HG3 H 1 2.231 0 . 2 . . . . 74 GLN HG . 15769 1 871 . 1 1 85 85 GLN C C 13 174.082 0 . 1 . . . . 74 GLN C . 15769 1 872 . 1 1 85 85 GLN CA C 13 53.558 0 . 1 . . . . 74 GLN CA . 15769 1 873 . 1 1 85 85 GLN CB C 13 29.32 0 . 1 . . . . 74 GLN CB . 15769 1 874 . 1 1 85 85 GLN N N 15 122.178 0 . 1 . . . . 74 GLN N . 15769 1 875 . 1 1 86 86 PRO HA H 1 4.256 0 . 1 . . . . 75 PRO HA . 15769 1 876 . 1 1 86 86 PRO HB2 H 1 2.113 0 . 2 . . . . 75 PRO HB . 15769 1 877 . 1 1 86 86 PRO HB3 H 1 2.113 0 . 2 . . . . 75 PRO HB . 15769 1 878 . 1 1 86 86 PRO HD2 H 1 3.534 0 . 2 . . . . 75 PRO HD . 15769 1 879 . 1 1 86 86 PRO HD3 H 1 3.534 0 . 2 . . . . 75 PRO HD . 15769 1 880 . 1 1 86 86 PRO HG2 H 1 1.792 0 . 2 . . . . 75 PRO HG . 15769 1 881 . 1 1 86 86 PRO HG3 H 1 1.792 0 . 2 . . . . 75 PRO HG . 15769 1 882 . 1 1 86 86 PRO C C 13 176.635 0 . 1 . . . . 75 PRO C . 15769 1 883 . 1 1 86 86 PRO CA C 13 63.102 0 . 1 . . . . 75 PRO CA . 15769 1 884 . 1 1 86 86 PRO CB C 13 32.2 0 . 1 . . . . 75 PRO CB . 15769 1 885 . 1 1 86 86 PRO CD C 13 50.749 0 . 1 . . . . 75 PRO CD . 15769 1 886 . 1 1 86 86 PRO CG C 13 27.491 0 . 1 . . . . 75 PRO CG . 15769 1 887 . 1 1 87 87 LYS H H 1 8.317 0 . 1 . . . . 76 LYS H . 15769 1 888 . 1 1 87 87 LYS HA H 1 4.444 0 . 1 . . . . 76 LYS HA . 15769 1 889 . 1 1 87 87 LYS HB2 H 1 1.681 0 . 2 . . . . 76 LYS HB . 15769 1 890 . 1 1 87 87 LYS HB3 H 1 1.681 0 . 2 . . . . 76 LYS HB . 15769 1 891 . 1 1 87 87 LYS HD2 H 1 1.581 0 . 2 . . . . 76 LYS HD . 15769 1 892 . 1 1 87 87 LYS HD3 H 1 1.581 0 . 2 . . . . 76 LYS HD . 15769 1 893 . 1 1 87 87 LYS HE2 H 1 2.873 0 . 2 . . . . 76 LYS HE . 15769 1 894 . 1 1 87 87 LYS HE3 H 1 2.873 0 . 2 . . . . 76 LYS HE . 15769 1 895 . 1 1 87 87 LYS HG2 H 1 1.347 0 . 2 . . . . 76 LYS HG . 15769 1 896 . 1 1 87 87 LYS HG3 H 1 1.347 0 . 2 . . . . 76 LYS HG . 15769 1 897 . 1 1 87 87 LYS C C 13 174.83 0 . 1 . . . . 76 LYS C . 15769 1 898 . 1 1 87 87 LYS CA C 13 54.344 0 . 1 . . . . 76 LYS CA . 15769 1 899 . 1 1 87 87 LYS N N 15 122.538 0 . 1 . . . . 76 LYS N . 15769 1 900 . 1 1 88 88 PRO HA H 1 4.225 0 . 1 . . . . 77 PRO HA . 15769 1 901 . 1 1 88 88 PRO HB2 H 1 2.154 0 . 2 . . . . 77 PRO HB . 15769 1 902 . 1 1 88 88 PRO HB3 H 1 2.154 0 . 2 . . . . 77 PRO HB . 15769 1 903 . 1 1 88 88 PRO HD2 H 1 3.666 0 . 2 . . . . 77 PRO HD2 . 15769 1 904 . 1 1 88 88 PRO HD3 H 1 3.491 0 . 2 . . . . 77 PRO HD3 . 15769 1 905 . 1 1 88 88 PRO HG2 H 1 1.847 0 . 2 . . . . 77 PRO HG . 15769 1 906 . 1 1 88 88 PRO HG3 H 1 1.847 0 . 2 . . . . 77 PRO HG . 15769 1 907 . 1 1 88 88 PRO C C 13 177.204 0 . 1 . . . . 77 PRO C . 15769 1 908 . 1 1 88 88 PRO CA C 13 63.298 0 . 1 . . . . 77 PRO CA . 15769 1 909 . 1 1 88 88 PRO CB C 13 32.166 0 . 1 . . . . 77 PRO CB . 15769 1 910 . 1 1 88 88 PRO CD C 13 50.724 0 . 1 . . . . 77 PRO CD . 15769 1 911 . 1 1 88 88 PRO CG C 13 27.465 0 . 1 . . . . 77 PRO CG . 15769 1 912 . 1 1 89 89 LEU H H 1 8.222 0 . 1 . . . . 78 LEU H . 15769 1 913 . 1 1 89 89 LEU HA H 1 4.115 0 . 1 . . . . 78 LEU HA . 15769 1 914 . 1 1 89 89 LEU HB2 H 1 1.464 0 . 2 . . . . 78 LEU HB . 15769 1 915 . 1 1 89 89 LEU HB3 H 1 1.464 0 . 2 . . . . 78 LEU HB . 15769 1 916 . 1 1 89 89 LEU HD11 H 1 0.764 0 . 2 . . . . 78 LEU HD . 15769 1 917 . 1 1 89 89 LEU HD12 H 1 0.764 0 . 2 . . . . 78 LEU HD . 15769 1 918 . 1 1 89 89 LEU HD13 H 1 0.764 0 . 2 . . . . 78 LEU HD . 15769 1 919 . 1 1 89 89 LEU HD21 H 1 0.764 0 . 2 . . . . 78 LEU HD . 15769 1 920 . 1 1 89 89 LEU HD22 H 1 0.764 0 . 2 . . . . 78 LEU HD . 15769 1 921 . 1 1 89 89 LEU HD23 H 1 0.764 0 . 2 . . . . 78 LEU HD . 15769 1 922 . 1 1 89 89 LEU HG H 1 1.464 0 . 1 . . . . 78 LEU HG . 15769 1 923 . 1 1 89 89 LEU C C 13 177.285 0 . 1 . . . . 78 LEU C . 15769 1 924 . 1 1 89 89 LEU CA C 13 55.466 0 . 1 . . . . 78 LEU CA . 15769 1 925 . 1 1 89 89 LEU CB C 13 42.391 0 . 1 . . . . 78 LEU CB . 15769 1 926 . 1 1 89 89 LEU CD1 C 13 24.942 0 . 2 . . . . 78 LEU CD1 . 15769 1 927 . 1 1 89 89 LEU CD2 C 13 23.693 0 . 2 . . . . 78 LEU CD2 . 15769 1 928 . 1 1 89 89 LEU CG C 13 27.205 0 . 1 . . . . 78 LEU CG . 15769 1 929 . 1 1 89 89 LEU N N 15 121.338 0 . 1 . . . . 78 LEU N . 15769 1 930 . 1 1 90 90 ASP H H 1 8.138 0 . 1 . . . . 79 ASP H . 15769 1 931 . 1 1 90 90 ASP HA H 1 4.393 0 . 1 . . . . 79 ASP HA . 15769 1 932 . 1 1 90 90 ASP HB2 H 1 2.492 0 . 2 . . . . 79 ASP HB . 15769 1 933 . 1 1 90 90 ASP HB3 H 1 2.492 0 . 2 . . . . 79 ASP HB . 15769 1 934 . 1 1 90 90 ASP C C 13 176.082 0 . 1 . . . . 79 ASP C . 15769 1 935 . 1 1 90 90 ASP CA C 13 54.344 0 . 1 . . . . 79 ASP CA . 15769 1 936 . 1 1 90 90 ASP CB C 13 41.156 0 . 1 . . . . 79 ASP CB . 15769 1 937 . 1 1 90 90 ASP N N 15 120.325 0 . 1 . . . . 79 ASP N . 15769 1 938 . 1 1 91 91 LEU H H 1 7.947 0 . 1 . . . . 80 LEU H . 15769 1 939 . 1 1 91 91 LEU HA H 1 4.213 0 . 1 . . . . 80 LEU HA . 15769 1 940 . 1 1 91 91 LEU HB2 H 1 1.463 0 . 2 . . . . 80 LEU HB . 15769 1 941 . 1 1 91 91 LEU HB3 H 1 1.463 0 . 2 . . . . 80 LEU HB . 15769 1 942 . 1 1 91 91 LEU HD11 H 1 0.742 0 . 2 . . . . 80 LEU HD . 15769 1 943 . 1 1 91 91 LEU HD12 H 1 0.742 0 . 2 . . . . 80 LEU HD . 15769 1 944 . 1 1 91 91 LEU HD13 H 1 0.742 0 . 2 . . . . 80 LEU HD . 15769 1 945 . 1 1 91 91 LEU HD21 H 1 0.742 0 . 2 . . . . 80 LEU HD . 15769 1 946 . 1 1 91 91 LEU HD22 H 1 0.742 0 . 2 . . . . 80 LEU HD . 15769 1 947 . 1 1 91 91 LEU HD23 H 1 0.742 0 . 2 . . . . 80 LEU HD . 15769 1 948 . 1 1 91 91 LEU HG H 1 1.463 0 . 1 . . . . 80 LEU HG . 15769 1 949 . 1 1 91 91 LEU C C 13 177.285 0 . 1 . . . . 80 LEU C . 15769 1 950 . 1 1 91 91 LEU CA C 13 55.298 0 . 1 . . . . 80 LEU CA . 15769 1 951 . 1 1 91 91 LEU CB C 13 42.456 0 . 1 . . . . 80 LEU CB . 15769 1 952 . 1 1 91 91 LEU CD1 C 13 25.098 0 . 2 . . . . 80 LEU CD1 . 15769 1 953 . 1 1 91 91 LEU CD2 C 13 23.537 0 . 2 . . . . 80 LEU CD2 . 15769 1 954 . 1 1 91 91 LEU CG C 13 27.361 0 . 1 . . . . 80 LEU CG . 15769 1 955 . 1 1 91 91 LEU N N 15 121.576 0 . 1 . . . . 80 LEU N . 15769 1 956 . 1 1 92 92 GLN H H 1 8.217 0 . 1 . . . . 81 GLN H . 15769 1 957 . 1 1 92 92 GLN HA H 1 4.462 0 . 1 . . . . 81 GLN HA . 15769 1 958 . 1 1 92 92 GLN HB2 H 1 1.739 0 . 2 . . . . 81 GLN HB . 15769 1 959 . 1 1 92 92 GLN HB3 H 1 1.739 0 . 2 . . . . 81 GLN HB . 15769 1 960 . 1 1 92 92 GLN HG2 H 1 2.183 0 . 2 . . . . 81 GLN HG . 15769 1 961 . 1 1 92 92 GLN HG3 H 1 2.183 0 . 2 . . . . 81 GLN HG . 15769 1 962 . 1 1 92 92 GLN CA C 13 53.782 0 . 1 . . . . 81 GLN CA . 15769 1 963 . 1 1 92 92 GLN CB C 13 28.979 0 . 1 . . . . 81 GLN CB . 15769 1 964 . 1 1 92 92 GLN N N 15 121.68 0 . 1 . . . . 81 GLN N . 15769 1 965 . 1 1 93 93 PRO HA H 1 4.281 0 . 1 . . . . 82 PRO HA . 15769 1 966 . 1 1 93 93 PRO HB2 H 1 2.165 0 . 2 . . . . 82 PRO HB . 15769 1 967 . 1 1 93 93 PRO HB3 H 1 2.165 0 . 2 . . . . 82 PRO HB . 15769 1 968 . 1 1 93 93 PRO HD2 H 1 3.576 0 . 2 . . . . 82 PRO HD . 15769 1 969 . 1 1 93 93 PRO HD3 H 1 3.576 0 . 2 . . . . 82 PRO HD . 15769 1 970 . 1 1 93 93 PRO HG2 H 1 1.835 0 . 2 . . . . 82 PRO HG . 15769 1 971 . 1 1 93 93 PRO HG3 H 1 1.835 0 . 2 . . . . 82 PRO HG . 15769 1 972 . 1 1 93 93 PRO C C 13 177.074 0 . 1 . . . . 82 PRO C . 15769 1 973 . 1 1 93 93 PRO CA C 13 63.439 0 . 1 . . . . 82 PRO CA . 15769 1 974 . 1 1 93 93 PRO CB C 13 32.166 0 . 1 . . . . 82 PRO CB . 15769 1 975 . 1 1 93 93 PRO CD C 13 50.696 0 . 1 . . . . 82 PRO CD . 15769 1 976 . 1 1 93 93 PRO CG C 13 27.518 0 . 1 . . . . 82 PRO CG . 15769 1 977 . 1 1 94 94 SER H H 1 8.283 0 . 1 . . . . 83 SER H . 15769 1 978 . 1 1 94 94 SER HA H 1 4.768 0 . 1 . . . . 83 SER HA . 15769 1 979 . 1 1 94 94 SER HB2 H 1 3.706 0 . 2 . . . . 83 SER HB . 15769 1 980 . 1 1 94 94 SER HB3 H 1 3.706 0 . 2 . . . . 83 SER HB . 15769 1 981 . 1 1 94 94 SER C C 13 174.667 0 . 1 . . . . 83 SER C . 15769 1 982 . 1 1 94 94 SER CA C 13 58.442 0 . 1 . . . . 83 SER CA . 15769 1 983 . 1 1 94 94 SER CB C 13 63.917 0 . 1 . . . . 83 SER CB . 15769 1 984 . 1 1 94 94 SER N N 15 115.261 0 . 1 . . . . 83 SER N . 15769 1 985 . 1 1 95 95 LEU H H 1 8.192 0 . 1 . . . . 84 LEU H . 15769 1 986 . 1 1 95 95 LEU HA H 1 4.271 0 . 1 . . . . 84 LEU HA . 15769 1 987 . 1 1 95 95 LEU HB2 H 1 1.493 0 . 2 . . . . 84 LEU HB . 15769 1 988 . 1 1 95 95 LEU HB3 H 1 1.493 0 . 2 . . . . 84 LEU HB . 15769 1 989 . 1 1 95 95 LEU HD11 H 1 0.742 0 . 2 . . . . 84 LEU HD . 15769 1 990 . 1 1 95 95 LEU HD12 H 1 0.742 0 . 2 . . . . 84 LEU HD . 15769 1 991 . 1 1 95 95 LEU HD13 H 1 0.742 0 . 2 . . . . 84 LEU HD . 15769 1 992 . 1 1 95 95 LEU HD21 H 1 0.742 0 . 2 . . . . 84 LEU HD . 15769 1 993 . 1 1 95 95 LEU HD22 H 1 0.742 0 . 2 . . . . 84 LEU HD . 15769 1 994 . 1 1 95 95 LEU HD23 H 1 0.742 0 . 2 . . . . 84 LEU HD . 15769 1 995 . 1 1 95 95 LEU HG H 1 1.484 0 . 1 . . . . 84 LEU HG . 15769 1 996 . 1 1 95 95 LEU C C 13 177.22 0 . 1 . . . . 84 LEU C . 15769 1 997 . 1 1 95 95 LEU CA C 13 55.354 0 . 1 . . . . 84 LEU CA . 15769 1 998 . 1 1 95 95 LEU CB C 13 42.391 0 . 1 . . . . 84 LEU CB . 15769 1 999 . 1 1 95 95 LEU CD1 C 13 25.02 0 . 2 . . . . 84 LEU CD1 . 15769 1 1000 . 1 1 95 95 LEU CD2 C 13 23.615 0 . 2 . . . . 84 LEU CD2 . 15769 1 1001 . 1 1 95 95 LEU CG C 13 27.205 0 . 1 . . . . 84 LEU CG . 15769 1 1002 . 1 1 95 95 LEU N N 15 123.889 0 . 1 . . . . 84 LEU N . 15769 1 1003 . 1 1 96 96 ILE H H 1 7.98 0 . 1 . . . . 85 ILE H . 15769 1 1004 . 1 1 96 96 ILE HA H 1 4.104 0 . 1 . . . . 85 ILE HA . 15769 1 1005 . 1 1 96 96 ILE HB H 1 1.76 0 . 1 . . . . 85 ILE HB . 15769 1 1006 . 1 1 96 96 ILE HD11 H 1 0.755 0 . 1 . . . . 85 ILE HD1 . 15769 1 1007 . 1 1 96 96 ILE HD12 H 1 0.755 0 . 1 . . . . 85 ILE HD1 . 15769 1 1008 . 1 1 96 96 ILE HD13 H 1 0.755 0 . 1 . . . . 85 ILE HD1 . 15769 1 1009 . 1 1 96 96 ILE HG12 H 1 1.314 0 . 2 . . . . 85 ILE HG1 . 15769 1 1010 . 1 1 96 96 ILE HG13 H 1 1.314 0 . 2 . . . . 85 ILE HG1 . 15769 1 1011 . 1 1 96 96 ILE HG21 H 1 1.02 0 . 1 . . . . 85 ILE HG2 . 15769 1 1012 . 1 1 96 96 ILE HG22 H 1 1.02 0 . 1 . . . . 85 ILE HG2 . 15769 1 1013 . 1 1 96 96 ILE HG23 H 1 1.02 0 . 1 . . . . 85 ILE HG2 . 15769 1 1014 . 1 1 96 96 ILE C C 13 175.562 0 . 1 . . . . 85 ILE C . 15769 1 1015 . 1 1 96 96 ILE CA C 13 61.081 0 . 1 . . . . 85 ILE CA . 15769 1 1016 . 1 1 96 96 ILE CB C 13 38.842 0 . 1 . . . . 85 ILE CB . 15769 1 1017 . 1 1 96 96 ILE CD1 C 13 13.002 0 . 1 . . . . 85 ILE CD1 . 15769 1 1018 . 1 1 96 96 ILE CG1 C 13 27.205 0 . 1 . . . . 85 ILE CG1 . 15769 1 1019 . 1 1 96 96 ILE CG2 C 13 17.606 0 . 1 . . . . 85 ILE CG2 . 15769 1 1020 . 1 1 96 96 ILE N N 15 121.198 0 . 1 . . . . 85 ILE N . 15769 1 1021 . 1 1 97 97 SER H H 1 7.836 0 . 1 . . . . 86 SER H . 15769 1 1022 . 1 1 97 97 SER HA H 1 4.13 0 . 1 . . . . 86 SER HA . 15769 1 1023 . 1 1 97 97 SER HB2 H 1 3.688 0 . 2 . . . . 86 SER HB . 15769 1 1024 . 1 1 97 97 SER HB3 H 1 3.688 0 . 2 . . . . 86 SER HB . 15769 1 1025 . 1 1 97 97 SER C C 13 178.749 0 . 1 . . . . 86 SER C . 15769 1 1026 . 1 1 97 97 SER CA C 13 60.042 0 . 1 . . . . 86 SER CA . 15769 1 1027 . 1 1 97 97 SER CB C 13 65.152 0 . 1 . . . . 86 SER CB . 15769 1 1028 . 1 1 97 97 SER N N 15 125.242 0 . 1 . . . . 86 SER N . 15769 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC _RDC_list.Entry_ID 15769 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 2 _RDC_list.Sample_condition_list_label $sample_conditions_2 _RDC_list.Spectrometer_frequency_1H 600.1283731 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 11 HSQC_IP . . . 15769 1 12 HSQC_AP . . . 15769 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $CARA . . 15769 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 13 13 SER H H 1 . . 1 1 13 13 SER N N 15 . 0.20649 . . 2.0 . . . . 2 S . . . . . 15769 1 2 DNH . 1 1 14 14 LEU H H 1 . . 1 1 14 14 LEU N N 15 . -0.13756 . . 2.0 . . . . 3 L . . . . . 15769 1 3 DNH . 1 1 15 15 ASN H H 1 . . 1 1 15 15 ASN N N 15 . 0.33186 . . 2.0 . . . . 4 N . . . . . 15769 1 4 DNH . 1 1 16 16 ILE H H 1 . . 1 1 16 16 ILE N N 15 . 18.079 . . 2.0 . . . . 5 I . . . . . 15769 1 5 DNH . 1 1 17 17 HIS H H 1 . . 1 1 17 17 HIS N N 15 . 14.786 . . 2.0 . . . . 6 H . . . . . 15769 1 6 DNH . 1 1 18 18 ILE H H 1 . . 1 1 18 18 ILE N N 15 . 6.4291 . . 2.0 . . . . 7 I . . . . . 15769 1 7 DNH . 1 1 19 19 LYS H H 1 . . 1 1 19 19 LYS N N 15 . 9.7969 . . 2.0 . . . . 8 K . . . . . 15769 1 8 DNH . 1 1 20 20 SER H H 1 . . 1 1 20 20 SER N N 15 . 4.3436 . . 2.0 . . . . 9 S . . . . . 15769 1 9 DNH . 1 1 21 21 GLY H H 1 . . 1 1 21 21 GLY N N 15 . 2.86 . . 2.0 . . . . 10 G . . . . . 15769 1 10 DNH . 1 1 22 22 GLN H H 1 . . 1 1 22 22 GLN N N 15 . -9.7017 . . 2.0 . . . . 11 Q . . . . . 15769 1 11 DNH . 1 1 23 23 ASP H H 1 . . 1 1 23 23 ASP N N 15 . -3.1298 . . 2.0 . . . . 12 D . . . . . 15769 1 12 DNH . 1 1 24 24 LYS H H 1 . . 1 1 24 24 LYS N N 15 . 11.927 . . 2.0 . . . . 13 K . . . . . 15769 1 13 DNH . 1 1 25 25 TRP H H 1 . . 1 1 25 25 TRP N N 15 . 12.569 . . 2.0 . . . . 14 W . . . . . 15769 1 14 DNH . 1 1 26 26 GLU H H 1 . . 1 1 26 26 GLU N N 15 . 15.155 . . 2.0 . . . . 15 E . . . . . 15769 1 15 DNH . 1 1 27 27 VAL H H 1 . . 1 1 27 27 VAL N N 15 . 18.533 . . 2.0 . . . . 16 V . . . . . 15769 1 16 DNH . 1 1 28 28 ASN H H 1 . . 1 1 28 28 ASN N N 15 . 11.684 . . 2.0 . . . . 17 N . . . . . 15769 1 17 DNH . 1 1 29 29 VAL H H 1 . . 1 1 29 29 VAL N N 15 . 10.917 . . 2.0 . . . . 18 V . . . . . 15769 1 18 DNH . 1 1 30 30 ALA H H 1 . . 1 1 30 30 ALA N N 15 . 6.0844 . . 2.0 . . . . 19 A . . . . . 15769 1 19 DNH . 1 1 32 32 GLU H H 1 . . 1 1 32 32 GLU N N 15 . -7.5293 . . 2.0 . . . . 21 E . . . . . 15769 1 20 DNH . 1 1 33 33 SER H H 1 . . 1 1 33 33 SER N N 15 . 3.0752 . . 2.0 . . . . 22 S . . . . . 15769 1 21 DNH . 1 1 34 34 THR H H 1 . . 1 1 34 34 THR N N 15 . 20.405 . . 2.0 . . . . 23 T . . . . . 15769 1 22 DNH . 1 1 35 35 VAL H H 1 . . 1 1 35 35 VAL N N 15 . 10.821 . . 2.0 . . . . 24 V . . . . . 15769 1 23 DNH . 1 1 36 36 LEU H H 1 . . 1 1 36 36 LEU N N 15 . 6.2098 . . 2.0 . . . . 25 L . . . . . 15769 1 24 DNH . 1 1 37 37 GLN H H 1 . . 1 1 37 37 GLN N N 15 . 4.9254 . . 2.0 . . . . 26 Q . . . . . 15769 1 25 DNH . 1 1 38 38 PHE H H 1 . . 1 1 38 38 PHE N N 15 . 8.6475 . . 2.0 . . . . 27 F . . . . . 15769 1 26 DNH . 1 1 39 39 LYS H H 1 . . 1 1 39 39 LYS N N 15 . 7.6184 . . 2.0 . . . . 28 K . . . . . 15769 1 27 DNH . 1 1 40 40 GLU H H 1 . . 1 1 40 40 GLU N N 15 . 2.9675 . . 2.0 . . . . 29 E . . . . . 15769 1 28 DNH . 1 1 41 41 ALA H H 1 . . 1 1 41 41 ALA N N 15 . 10.458 . . 2.0 . . . . 30 A . . . . . 15769 1 29 DNH . 1 1 42 42 ILE H H 1 . . 1 1 42 42 ILE N N 15 . 8.5422 . . 2.0 . . . . 31 I . . . . . 15769 1 30 DNH . 1 1 43 43 ASN H H 1 . . 1 1 43 43 ASN N N 15 . 4.8756 . . 2.0 . . . . 32 N . . . . . 15769 1 31 DNH . 1 1 44 44 LYS H H 1 . . 1 1 44 44 LYS N N 15 . -2.3744 . . 2.0 . . . . 33 K . . . . . 15769 1 32 DNH . 1 1 45 45 ALA H H 1 . . 1 1 45 45 ALA N N 15 . 10.312 . . 2.0 . . . . 34 A . . . . . 15769 1 33 DNH . 1 1 46 46 ASN H H 1 . . 1 1 46 46 ASN N N 15 . 7.1902 . . 2.0 . . . . 35 N . . . . . 15769 1 34 DNH . 1 1 47 47 GLY H H 1 . . 1 1 47 47 GLY N N 15 . -17.292 . . 2.0 . . . . 36 G . . . . . 15769 1 35 DNH . 1 1 48 48 ILE H H 1 . . 1 1 48 48 ILE N N 15 . -12.224 . . 2.0 . . . . 37 I . . . . . 15769 1 36 DNH . 1 1 50 50 VAL H H 1 . . 1 1 50 50 VAL N N 15 . -6.1461 . . 2.0 . . . . 39 V . . . . . 15769 1 37 DNH . 1 1 51 51 ALA H H 1 . . 1 1 51 51 ALA N N 15 . 19.483 . . 2.0 . . . . 40 A . . . . . 15769 1 38 DNH . 1 1 52 52 ASN H H 1 . . 1 1 52 52 ASN N N 15 . 0.46527 . . 2.0 . . . . 41 N . . . . . 15769 1 39 DNH . 1 1 53 53 GLN H H 1 . . 1 1 53 53 GLN N N 15 . 9.6049 . . 2.0 . . . . 42 Q . . . . . 15769 1 40 DNH . 1 1 54 54 ARG H H 1 . . 1 1 54 54 ARG N N 15 . 3.1764 . . 2.0 . . . . 43 R . . . . . 15769 1 41 DNH . 1 1 55 55 LEU H H 1 . . 1 1 55 55 LEU N N 15 . 7.2816 . . 2.0 . . . . 44 L . . . . . 15769 1 42 DNH . 1 1 56 56 ILE H H 1 . . 1 1 56 56 ILE N N 15 . 7.2447 . . 2.0 . . . . 45 I . . . . . 15769 1 43 DNH . 1 1 57 57 TYR H H 1 . . 1 1 57 57 TYR N N 15 . 2.9987 . . 2.0 . . . . 46 Y . . . . . 15769 1 44 DNH . 1 1 58 58 SER H H 1 . . 1 1 58 58 SER N N 15 . 7.8414 . . 2.0 . . . . 47 S . . . . . 15769 1 45 DNH . 1 1 59 59 GLY H H 1 . . 1 1 59 59 GLY N N 15 . 9.1542 . . 2.0 . . . . 48 G . . . . . 15769 1 46 DNH . 1 1 60 60 LYS H H 1 . . 1 1 60 60 LYS N N 15 . -15.004 . . 2.0 . . . . 49 K . . . . . 15769 1 47 DNH . 1 1 61 61 ILE H H 1 . . 1 1 61 61 ILE N N 15 . 7.2843 . . 2.0 . . . . 50 I . . . . . 15769 1 48 DNH . 1 1 62 62 LEU H H 1 . . 1 1 62 62 LEU N N 15 . 4.8304 . . 2.0 . . . . 51 L . . . . . 15769 1 49 DNH . 1 1 63 63 LYS H H 1 . . 1 1 63 63 LYS N N 15 . -6.7943 . . 2.0 . . . . 52 K . . . . . 15769 1 50 DNH . 1 1 64 64 ASP H H 1 . . 1 1 64 64 ASP N N 15 . 20.537 . . 2.0 . . . . 53 D . . . . . 15769 1 51 DNH . 1 1 65 65 ASP H H 1 . . 1 1 65 65 ASP N N 15 . -4.5374 . . 2.0 . . . . 54 D . . . . . 15769 1 52 DNH . 1 1 66 66 GLN H H 1 . . 1 1 66 66 GLN N N 15 . 8.1174 . . 2.0 . . . . 55 Q . . . . . 15769 1 53 DNH . 1 1 67 67 THR H H 1 . . 1 1 67 67 THR N N 15 . 9.0751 . . 2.0 . . . . 56 T . . . . . 15769 1 54 DNH . 1 1 68 68 VAL H H 1 . . 1 1 68 68 VAL N N 15 . 16.574 . . 2.0 . . . . 57 V . . . . . 15769 1 55 DNH . 1 1 69 69 GLU H H 1 . . 1 1 69 69 GLU N N 15 . 15.497 . . 2.0 . . . . 58 E . . . . . 15769 1 56 DNH . 1 1 70 70 SER H H 1 . . 1 1 70 70 SER N N 15 . 15.302 . . 2.0 . . . . 59 S . . . . . 15769 1 57 DNH . 1 1 71 71 TYR H H 1 . . 1 1 71 71 TYR N N 15 . 16.428 . . 2.0 . . . . 60 Y . . . . . 15769 1 58 DNH . 1 1 72 72 HIS H H 1 . . 1 1 72 72 HIS N N 15 . 7.5846 . . 2.0 . . . . 61 H . . . . . 15769 1 59 DNH . 1 1 73 73 ILE H H 1 . . 1 1 73 73 ILE N N 15 . 9.6101 . . 2.0 . . . . 62 I . . . . . 15769 1 60 DNH . 1 1 74 74 GLN H H 1 . . 1 1 74 74 GLN N N 15 . -3.1767 . . 2.0 . . . . 63 Q . . . . . 15769 1 61 DNH . 1 1 75 75 ASP H H 1 . . 1 1 75 75 ASP N N 15 . -14.599 . . 2.0 . . . . 64 D . . . . . 15769 1 62 DNH . 1 1 76 76 GLY H H 1 . . 1 1 76 76 GLY N N 15 . 15.865 . . 2.0 . . . . 65 G . . . . . 15769 1 63 DNH . 1 1 77 77 HIS H H 1 . . 1 1 77 77 HIS N N 15 . -0.26272 . . 2.0 . . . . 66 H . . . . . 15769 1 64 DNH . 1 1 78 78 SER H H 1 . . 1 1 78 78 SER N N 15 . 17.788 . . 2.0 . . . . 67 S . . . . . 15769 1 65 DNH . 1 1 79 79 VAL H H 1 . . 1 1 79 79 VAL N N 15 . 12.886 . . 2.0 . . . . 68 V . . . . . 15769 1 66 DNH . 1 1 80 80 HIS H H 1 . . 1 1 80 80 HIS N N 15 . 8.0504 . . 2.0 . . . . 69 H . . . . . 15769 1 67 DNH . 1 1 81 81 LEU H H 1 . . 1 1 81 81 LEU N N 15 . 5.683 . . 2.0 . . . . 70 L . . . . . 15769 1 68 DNH . 1 1 82 82 VAL H H 1 . . 1 1 82 82 VAL N N 15 . -1.3751 . . 2.0 . . . . 71 V . . . . . 15769 1 69 DNH . 1 1 83 83 LYS H H 1 . . 1 1 83 83 LYS N N 15 . 7.2644 . . 2.0 . . . . 72 K . . . . . 15769 1 70 DNH . 1 1 84 84 SER H H 1 . . 1 1 84 84 SER N N 15 . -2.1243 . . 2.0 . . . . 73 S . . . . . 15769 1 71 DNH . 1 1 85 85 GLN H H 1 . . 1 1 85 85 GLN N N 15 . 8.6998 . . 2.0 . . . . 74 Q . . . . . 15769 1 72 DNH . 1 1 89 89 LEU H H 1 . . 1 1 89 89 LEU N N 15 . 9.59 . . 2.0 . . . . 78 L . . . . . 15769 1 73 DNH . 1 1 90 90 ASP H H 1 . . 1 1 90 90 ASP N N 15 . 6.2484 . . 2.0 . . . . 79 D . . . . . 15769 1 74 DNH . 1 1 91 91 LEU H H 1 . . 1 1 91 91 LEU N N 15 . 3.9544 . . 2.0 . . . . 80 L . . . . . 15769 1 75 DNH . 1 1 92 92 GLN H H 1 . . 1 1 92 92 GLN N N 15 . 2.7471 . . 2.0 . . . . 81 Q . . . . . 15769 1 76 DNH . 1 1 94 94 SER H H 1 . . 1 1 94 94 SER N N 15 . 2.86 . . 2.0 . . . . 83 S . . . . . 15769 1 77 DNH . 1 1 95 95 LEU H H 1 . . 1 1 95 95 LEU N N 15 . 2.6978 . . 2.0 . . . . 84 L . . . . . 15769 1 78 DNH . 1 1 96 96 ILE H H 1 . . 1 1 96 96 ILE N N 15 . 5.6793 . . 2.0 . . . . 85 I . . . . . 15769 1 79 DNH . 1 1 97 97 SER H H 1 . . 1 1 97 97 SER N N 15 . -16.57 . . 2.0 . . . . 86 S . . . . . 15769 1 stop_ save_