data_19510 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19510 _Entry.Title ; NMR structure of the Paracoccus denitrificans Z-subunit determined in the presence of ADP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-20 _Entry.Accession_date 2013-09-20 _Entry.Last_release_date 2013-10-08 _Entry.Original_release_date 2013-10-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Pedro Serrano . . . 19510 2 Michael Geralt . . . 19510 3 Kurt Wuthrich . . . 19510 4 Edga Morales-Rios . . . 19510 5 Mariel Zarco-Zavala . . . 19510 6 Jose Garcia-Trejo . J. . 19510 7 Samit Dutta . . . 19510 8 JCSG JCSG . . . 19510 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 19510 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Joint Center for Structural Genomics' . 19510 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ATPase regulatory protein' . 19510 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19510 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 381 19510 '15N chemical shifts' 103 19510 '1H chemical shifts' 624 19510 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-10-08 2013-09-19 original author . 19510 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19510 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the putative ATPase regulatory protein YP_916642.1 from Paracoccus denitrificans' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pedro Serrano . . . 19510 1 2 Michael Geralt . . . 19510 1 3 Kurt Wuthrich . . . 19510 1 4 Samit Dutta . . . 19510 1 5 Edga Morales-Rios . . . 19510 1 6 Jose Garcia-Trejo . J. . 19510 1 7 Mariel Zarco-Zavala . . . 19510 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19510 _Assembly.ID 1 _Assembly.Name Z-subunit _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Z-subunit 1 $Z-subunit A . yes native no no . . . 19510 1 2 ADP 2 $entity_ADP . . no native no no . . . 19510 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Z-subunit _Entity.Sf_category entity _Entity.Sf_framecode Z-subunit _Entity.Entry_ID 19510 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Z-subunit _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTTFDDRERAHEAKFAHDAE LNFKAEARRNRLLGEWAAGL LGKTGDDARAYALTVVTSDF DEPGDEDVFRKLAADLEGKA DEETIRAKMVELRATAREQI ISEI ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11687.060 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18018 . entity . . . . . 100.00 104 100.00 100.00 1.64e-65 . . . . 19510 1 2 no PDB 2LL0 . "Nmr Structure Of The Putative Atpase Regulatory Protein Yp_916642.1 From Paracoccus Denitrificans" . . . . . 100.00 104 100.00 100.00 1.64e-65 . . . . 19510 1 3 no PDB 2MDZ . "Nmr Structure Of The Paracoccus Denitrificans Z-subunit Determined In The Presence Of Adp" . . . . . 100.00 104 100.00 100.00 1.64e-65 . . . . 19510 1 4 no PDB 5DN6 . "Atp Synthase From Paracoccus Denitrificans" . . . . . 100.00 104 100.00 100.00 1.64e-65 . . . . 19510 1 5 no GB ABL70946 . "protein of unknown function DUF1476 [Paracoccus denitrificans PD1222]" . . . . . 100.00 104 100.00 100.00 1.64e-65 . . . . 19510 1 6 no REF WP_011749137 . "aldolase [Paracoccus denitrificans]" . . . . . 100.00 104 100.00 100.00 1.64e-65 . . . . 19510 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 1 MET . 19510 1 2 2 THR . 19510 1 3 3 THR . 19510 1 4 4 PHE . 19510 1 5 5 ASP . 19510 1 6 6 ASP . 19510 1 7 7 ARG . 19510 1 8 8 GLU . 19510 1 9 9 ARG . 19510 1 10 10 ALA . 19510 1 11 11 HIS . 19510 1 12 12 GLU . 19510 1 13 13 ALA . 19510 1 14 14 LYS . 19510 1 15 15 PHE . 19510 1 16 16 ALA . 19510 1 17 17 HIS . 19510 1 18 18 ASP . 19510 1 19 19 ALA . 19510 1 20 20 GLU . 19510 1 21 21 LEU . 19510 1 22 22 ASN . 19510 1 23 23 PHE . 19510 1 24 24 LYS . 19510 1 25 25 ALA . 19510 1 26 26 GLU . 19510 1 27 27 ALA . 19510 1 28 28 ARG . 19510 1 29 29 ARG . 19510 1 30 30 ASN . 19510 1 31 31 ARG . 19510 1 32 32 LEU . 19510 1 33 33 LEU . 19510 1 34 34 GLY . 19510 1 35 35 GLU . 19510 1 36 36 TRP . 19510 1 37 37 ALA . 19510 1 38 38 ALA . 19510 1 39 39 GLY . 19510 1 40 40 LEU . 19510 1 41 41 LEU . 19510 1 42 42 GLY . 19510 1 43 43 LYS . 19510 1 44 44 THR . 19510 1 45 45 GLY . 19510 1 46 46 ASP . 19510 1 47 47 ASP . 19510 1 48 48 ALA . 19510 1 49 49 ARG . 19510 1 50 50 ALA . 19510 1 51 51 TYR . 19510 1 52 52 ALA . 19510 1 53 53 LEU . 19510 1 54 54 THR . 19510 1 55 55 VAL . 19510 1 56 56 VAL . 19510 1 57 57 THR . 19510 1 58 58 SER . 19510 1 59 59 ASP . 19510 1 60 60 PHE . 19510 1 61 61 ASP . 19510 1 62 62 GLU . 19510 1 63 63 PRO . 19510 1 64 64 GLY . 19510 1 65 65 ASP . 19510 1 66 66 GLU . 19510 1 67 67 ASP . 19510 1 68 68 VAL . 19510 1 69 69 PHE . 19510 1 70 70 ARG . 19510 1 71 71 LYS . 19510 1 72 72 LEU . 19510 1 73 73 ALA . 19510 1 74 74 ALA . 19510 1 75 75 ASP . 19510 1 76 76 LEU . 19510 1 77 77 GLU . 19510 1 78 78 GLY . 19510 1 79 79 LYS . 19510 1 80 80 ALA . 19510 1 81 81 ASP . 19510 1 82 82 GLU . 19510 1 83 83 GLU . 19510 1 84 84 THR . 19510 1 85 85 ILE . 19510 1 86 86 ARG . 19510 1 87 87 ALA . 19510 1 88 88 LYS . 19510 1 89 89 MET . 19510 1 90 90 VAL . 19510 1 91 91 GLU . 19510 1 92 92 LEU . 19510 1 93 93 ARG . 19510 1 94 94 ALA . 19510 1 95 95 THR . 19510 1 96 96 ALA . 19510 1 97 97 ARG . 19510 1 98 98 GLU . 19510 1 99 99 GLN . 19510 1 100 100 ILE . 19510 1 101 101 ILE . 19510 1 102 102 SER . 19510 1 103 103 GLU . 19510 1 104 104 ILE . 19510 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 19510 1 . THR 2 2 19510 1 . THR 3 3 19510 1 . PHE 4 4 19510 1 . ASP 5 5 19510 1 . ASP 6 6 19510 1 . ARG 7 7 19510 1 . GLU 8 8 19510 1 . ARG 9 9 19510 1 . ALA 10 10 19510 1 . HIS 11 11 19510 1 . GLU 12 12 19510 1 . ALA 13 13 19510 1 . LYS 14 14 19510 1 . PHE 15 15 19510 1 . ALA 16 16 19510 1 . HIS 17 17 19510 1 . ASP 18 18 19510 1 . ALA 19 19 19510 1 . GLU 20 20 19510 1 . LEU 21 21 19510 1 . ASN 22 22 19510 1 . PHE 23 23 19510 1 . LYS 24 24 19510 1 . ALA 25 25 19510 1 . GLU 26 26 19510 1 . ALA 27 27 19510 1 . ARG 28 28 19510 1 . ARG 29 29 19510 1 . ASN 30 30 19510 1 . ARG 31 31 19510 1 . LEU 32 32 19510 1 . LEU 33 33 19510 1 . GLY 34 34 19510 1 . GLU 35 35 19510 1 . TRP 36 36 19510 1 . ALA 37 37 19510 1 . ALA 38 38 19510 1 . GLY 39 39 19510 1 . LEU 40 40 19510 1 . LEU 41 41 19510 1 . GLY 42 42 19510 1 . LYS 43 43 19510 1 . THR 44 44 19510 1 . GLY 45 45 19510 1 . ASP 46 46 19510 1 . ASP 47 47 19510 1 . ALA 48 48 19510 1 . ARG 49 49 19510 1 . ALA 50 50 19510 1 . TYR 51 51 19510 1 . ALA 52 52 19510 1 . LEU 53 53 19510 1 . THR 54 54 19510 1 . VAL 55 55 19510 1 . VAL 56 56 19510 1 . THR 57 57 19510 1 . SER 58 58 19510 1 . ASP 59 59 19510 1 . PHE 60 60 19510 1 . ASP 61 61 19510 1 . GLU 62 62 19510 1 . PRO 63 63 19510 1 . GLY 64 64 19510 1 . ASP 65 65 19510 1 . GLU 66 66 19510 1 . ASP 67 67 19510 1 . VAL 68 68 19510 1 . PHE 69 69 19510 1 . ARG 70 70 19510 1 . LYS 71 71 19510 1 . LEU 72 72 19510 1 . ALA 73 73 19510 1 . ALA 74 74 19510 1 . ASP 75 75 19510 1 . LEU 76 76 19510 1 . GLU 77 77 19510 1 . GLY 78 78 19510 1 . LYS 79 79 19510 1 . ALA 80 80 19510 1 . ASP 81 81 19510 1 . GLU 82 82 19510 1 . GLU 83 83 19510 1 . THR 84 84 19510 1 . ILE 85 85 19510 1 . ARG 86 86 19510 1 . ALA 87 87 19510 1 . LYS 88 88 19510 1 . MET 89 89 19510 1 . VAL 90 90 19510 1 . GLU 91 91 19510 1 . LEU 92 92 19510 1 . ARG 93 93 19510 1 . ALA 94 94 19510 1 . THR 95 95 19510 1 . ALA 96 96 19510 1 . ARG 97 97 19510 1 . GLU 98 98 19510 1 . GLN 99 99 19510 1 . ILE 100 100 19510 1 . ILE 101 101 19510 1 . SER 102 102 19510 1 . GLU 103 103 19510 1 . ILE 104 104 19510 1 stop_ save_ save_entity_ADP _Entity.Sf_category entity _Entity.Sf_framecode entity_ADP _Entity.Entry_ID 19510 _Entity.ID 2 _Entity.BMRB_code ADP _Entity.Name ADENOSINE-5'-DIPHOSPHATE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 427.201 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ADENOSINE-5'-DIPHOSPHATE BMRB 19510 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ADENOSINE-5'-DIPHOSPHATE BMRB 19510 2 ADP 'Three letter code' 19510 2 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 1 ADP $chem_comp_ADP 19510 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ADP C1' 19510 2 2 1 ADP C2 19510 2 3 1 ADP C2' 19510 2 4 1 ADP C3' 19510 2 5 1 ADP C4 19510 2 6 1 ADP C4' 19510 2 7 1 ADP C5 19510 2 8 1 ADP C5' 19510 2 9 1 ADP C6 19510 2 10 1 ADP C8 19510 2 11 1 ADP H1' 19510 2 12 1 ADP H2 19510 2 13 1 ADP H2' 19510 2 14 1 ADP H3' 19510 2 15 1 ADP H4' 19510 2 16 1 ADP H5'1 19510 2 17 1 ADP H5'2 19510 2 18 1 ADP H8 19510 2 19 1 ADP HN61 19510 2 20 1 ADP HN62 19510 2 21 1 ADP HO2' 19510 2 22 1 ADP HO3' 19510 2 23 1 ADP HOA2 19510 2 24 1 ADP HOB2 19510 2 25 1 ADP HOB3 19510 2 26 1 ADP N1 19510 2 27 1 ADP N3 19510 2 28 1 ADP N6 19510 2 29 1 ADP N7 19510 2 30 1 ADP N9 19510 2 31 1 ADP O1A 19510 2 32 1 ADP O1B 19510 2 33 1 ADP O2' 19510 2 34 1 ADP O2A 19510 2 35 1 ADP O2B 19510 2 36 1 ADP O3' 19510 2 37 1 ADP O3A 19510 2 38 1 ADP O3B 19510 2 39 1 ADP O4' 19510 2 40 1 ADP O5' 19510 2 41 1 ADP PA 19510 2 42 1 ADP PB 19510 2 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 19510 _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 $Z-subunit . 266 organism . 'Paracoccus denitrificans' 'alpha proteobacteria' . . Bacteria . Paracoccus denitrificans . . . . . . . . . . . . . . . . . . . . . 19510 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 19510 _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 $Z-subunit . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pSpeedET . . . . . . 19510 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ADP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ADP _Chem_comp.Entry_ID 19510 _Chem_comp.ID ADP _Chem_comp.Provenance PDB _Chem_comp.Name ADENOSINE-5'-DIPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ADP _Chem_comp.PDB_code ADP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ADP _Chem_comp.Number_atoms_all 42 _Chem_comp.Number_atoms_nh 27 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID A _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H15 N5 O10 P2' _Chem_comp.Formula_weight 427.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1PHP _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 19510 ADP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19510 ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 InChI InChI 1.03 19510 ADP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 19510 ADP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 19510 ADP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 19510 ADP XTWYTFMLZFPYCI-KQYNXXCUSA-N InChIKey InChI 1.03 19510 ADP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19510 ADP 'adenosine 5'-(trihydrogen diphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 19510 ADP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PB PB PB PB . P . . N 0 . . . 1 no no . . . . 44.669 . 2.928 . 38.556 . 1.162 -0.221 -5.685 1 . 19510 ADP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 46.021 . 3.508 . 38.317 . 1.725 1.133 -5.492 2 . 19510 ADP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 43.709 . 3.812 . 37.905 . 2.190 -1.112 -6.546 3 . 19510 ADP O3B O3B O3B O3B . O . . N 0 . . . 1 no no . . . . 44.459 . 1.449 . 38.382 . -0.240 -0.113 -6.467 4 . 19510 ADP PA PA PA PA . P . . S 0 . . . 1 no no . . . . 43.230 . 2.955 . 41.110 . -0.105 0.025 -3.446 5 . 19510 ADP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 41.975 . 3.497 . 40.573 . 0.476 1.376 -3.288 6 . 19510 ADP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 42.962 . 1.501 . 41.401 . -1.487 0.129 -4.266 7 . 19510 ADP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 44.522 . 3.210 . 40.212 . 0.925 -0.913 -4.250 8 . 19510 ADP O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 43.462 . 3.832 . 42.407 . -0.389 -0.609 -1.994 9 . 19510 ADP C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 43.735 . 5.246 . 42.335 . -1.307 0.264 -1.333 10 . 19510 ADP C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 43.095 . 5.810 . 43.626 . -1.620 -0.284 0.059 11 . 19510 ADP O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 43.764 . 5.261 . 44.779 . -0.417 -0.348 0.857 12 . 19510 ADP C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 43.337 . 7.325 . 43.617 . -2.550 0.683 0.825 13 . 19510 ADP O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 42.056 . 7.988 . 43.560 . -3.907 0.245 0.739 14 . 19510 ADP C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . 43.946 . 7.593 . 45.083 . -2.047 0.611 2.286 15 . 19510 ADP O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 43.554 . 8.726 . 45.877 . -3.080 0.129 3.148 16 . 19510 ADP C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 43.613 . 6.275 . 45.813 . -0.871 -0.388 2.227 17 . 19510 ADP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 44.375 . 5.781 . 46.991 . 0.201 0.031 3.132 18 . 19510 ADP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 45.711 . 5.486 . 47.062 . 1.231 0.870 2.827 19 . 19510 ADP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 46.202 . 5.379 . 48.282 . 2.000 1.027 3.865 20 . 19510 ADP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 45.067 . 5.597 . 49.064 . 1.509 0.305 4.902 21 . 19510 ADP C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 44.883 . 5.623 . 50.499 . 1.910 0.087 6.231 22 . 19510 ADP N6 N6 N6 N6 . N . . N 0 . . . 1 no no . . . . 45.912 . 5.433 . 51.325 . 3.044 0.697 6.738 23 . 19510 ADP N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 43.626 . 5.852 . 50.896 . 1.171 -0.714 6.991 24 . 19510 ADP C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 42.590 . 6.076 . 50.067 . 0.088 -1.300 6.516 25 . 19510 ADP N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 42.675 . 6.067 . 48.735 . -0.321 -1.130 5.277 26 . 19510 ADP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 43.951 . 5.821 . 48.304 . 0.353 -0.346 4.442 27 . 19510 ADP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 no no . . . . 42.847 . 3.442 . 38.057 . 2.304 -0.664 -7.396 28 . 19510 ADP HOB3 HOB3 HOB3 3HOB . H . . N 0 . . . 0 no no . . . . 43.597 . 1.079 . 38.534 . -0.572 -1.016 -6.571 29 . 19510 ADP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 43.773 . 1.150 . 41.748 . -1.833 -0.770 -4.346 30 . 19510 ADP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 44.812 . 5.500 . 42.206 . -2.227 0.330 -1.913 31 . 19510 ADP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 43.385 . 5.735 . 41.396 . -0.862 1.255 -1.242 32 . 19510 ADP H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 42.010 . 5.556 . 43.668 . -2.078 -1.270 -0.015 33 . 19510 ADP H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 43.978 . 7.672 . 42.773 . -2.451 1.696 0.435 34 . 19510 ADP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 42.205 . 8.926 . 43.554 . -4.439 0.884 1.233 35 . 19510 ADP H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 45.014 . 7.879 . 44.941 . -1.699 1.589 2.618 36 . 19510 ADP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 43.913 . 8.884 . 46.742 . -3.807 0.764 3.094 37 . 19510 ADP H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . 42.621 . 6.482 . 46.279 . -1.212 -1.391 2.485 38 . 19510 ADP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 46.358 . 5.341 . 46.181 . 1.387 1.335 1.865 39 . 19510 ADP HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 no no . . . . 45.782 . 5.451 . 52.336 . 3.308 0.542 7.658 40 . 19510 ADP HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 no no . . . . 46.639 . 6.107 . 51.086 . 3.577 1.277 6.172 41 . 19510 ADP H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 41.601 . 6.281 . 50.510 . -0.482 -1.944 7.169 42 . 19510 ADP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PB O1B no N 1 . 19510 ADP 2 . SING PB O2B no N 2 . 19510 ADP 3 . SING PB O3B no N 3 . 19510 ADP 4 . SING PB O3A no N 4 . 19510 ADP 5 . SING O2B HOB2 no N 5 . 19510 ADP 6 . SING O3B HOB3 no N 6 . 19510 ADP 7 . DOUB PA O1A no N 7 . 19510 ADP 8 . SING PA O2A no N 8 . 19510 ADP 9 . SING PA O3A no N 9 . 19510 ADP 10 . SING PA O5' no N 10 . 19510 ADP 11 . SING O2A HOA2 no N 11 . 19510 ADP 12 . SING O5' C5' no N 12 . 19510 ADP 13 . SING C5' C4' no N 13 . 19510 ADP 14 . SING C5' H5'1 no N 14 . 19510 ADP 15 . SING C5' H5'2 no N 15 . 19510 ADP 16 . SING C4' O4' no N 16 . 19510 ADP 17 . SING C4' C3' no N 17 . 19510 ADP 18 . SING C4' H4' no N 18 . 19510 ADP 19 . SING O4' C1' no N 19 . 19510 ADP 20 . SING C3' O3' no N 20 . 19510 ADP 21 . SING C3' C2' no N 21 . 19510 ADP 22 . SING C3' H3' no N 22 . 19510 ADP 23 . SING O3' HO3' no N 23 . 19510 ADP 24 . SING C2' O2' no N 24 . 19510 ADP 25 . SING C2' C1' no N 25 . 19510 ADP 26 . SING C2' H2' no N 26 . 19510 ADP 27 . SING O2' HO2' no N 27 . 19510 ADP 28 . SING C1' N9 no N 28 . 19510 ADP 29 . SING C1' H1' no N 29 . 19510 ADP 30 . SING N9 C8 yes N 30 . 19510 ADP 31 . SING N9 C4 yes N 31 . 19510 ADP 32 . DOUB C8 N7 yes N 32 . 19510 ADP 33 . SING C8 H8 no N 33 . 19510 ADP 34 . SING N7 C5 yes N 34 . 19510 ADP 35 . SING C5 C6 yes N 35 . 19510 ADP 36 . DOUB C5 C4 yes N 36 . 19510 ADP 37 . SING C6 N6 no N 37 . 19510 ADP 38 . DOUB C6 N1 yes N 38 . 19510 ADP 39 . SING N6 HN61 no N 39 . 19510 ADP 40 . SING N6 HN62 no N 40 . 19510 ADP 41 . SING N1 C2 yes N 41 . 19510 ADP 42 . DOUB C2 N3 yes N 42 . 19510 ADP 43 . SING C2 H2 no N 43 . 19510 ADP 44 . SING N3 C4 yes N 44 . 19510 ADP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19510 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Z-subunit '[U-98% 13C; U-98% 15N]' . . 1 $Z-subunit . . 1.5 . . mM . . . . 19510 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19510 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19510 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19510 1 5 ADP 'natural abundance' . . . . . . 10 . . mM . . . . 19510 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19510 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19510 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19510 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.083 . M 19510 1 pH 6.0 . pH 19510 1 pressure 1 . atm 19510 1 temperature 298 . K 19510 1 stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 19510 _Software.ID 1 _Software.Name DYANA _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19510 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 19510 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19510 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19510 _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 . . . 19510 1 2 spectrometer_2 Bruker Avance . 800 . . . 19510 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 19510 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19510 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19510 1 3 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19510 1 4 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19510 1 5 '5D APSY CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19510 1 6 '4D APSY HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19510 1 7 '5D APSY HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19510 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 19510 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19510 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19510 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19510 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 19510 _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 '2D 1H-15N HSQC' . . . 19510 1 2 '3D 1H-15N NOESY' . . . 19510 1 3 '3D 1H-13C NOESY aliphatic' . . . 19510 1 4 '3D 1H-13C NOESY aromatic' . . . 19510 1 5 '5D APSY CBCACONH' . . . 19510 1 6 '4D APSY HACANH' . . . 19510 1 7 '5D APSY HACACONH' . . . 19510 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 PHE H H 1 8.328 . . . . . . A 4 PHE H . 19510 1 2 . 1 1 4 4 PHE HA H 1 4.680 . . . . . . A 4 PHE HA . 19510 1 3 . 1 1 4 4 PHE HB2 H 1 3.277 . . . . . . A 4 PHE HB2 . 19510 1 4 . 1 1 4 4 PHE HB3 H 1 3.179 . . . . . . A 4 PHE HB3 . 19510 1 5 . 1 1 4 4 PHE CA C 13 57.087 . . . . . . A 4 PHE CA . 19510 1 6 . 1 1 4 4 PHE CB C 13 38.126 . . . . . . A 4 PHE CB . 19510 1 7 . 1 1 4 4 PHE N N 15 122.548 . . . . . . A 4 PHE N . 19510 1 8 . 1 1 7 7 ARG H H 1 8.339 . . . . . . A 7 ARG H . 19510 1 9 . 1 1 7 7 ARG HA H 1 4.265 . . . . . . A 7 ARG HA . 19510 1 10 . 1 1 7 7 ARG HB2 H 1 1.990 . . . . . . A 7 ARG QB . 19510 1 11 . 1 1 7 7 ARG HB3 H 1 1.990 . . . . . . A 7 ARG QB . 19510 1 12 . 1 1 7 7 ARG HG2 H 1 1.806 . . . . . . A 7 ARG HG2 . 19510 1 13 . 1 1 7 7 ARG C C 13 176.683 . . . . . . A 7 ARG C . 19510 1 14 . 1 1 7 7 ARG CA C 13 56.502 . . . . . . A 7 ARG CA . 19510 1 15 . 1 1 7 7 ARG CB C 13 28.840 . . . . . . A 7 ARG CB . 19510 1 16 . 1 1 7 7 ARG CG C 13 26.017 . . . . . . A 7 ARG CG . 19510 1 17 . 1 1 7 7 ARG CD C 13 41.199 . . . . . . A 7 ARG CD . 19510 1 18 . 1 1 7 7 ARG N N 15 121.962 . . . . . . A 7 ARG N . 19510 1 19 . 1 1 8 8 GLU H H 1 8.384 . . . . . . A 8 GLU H . 19510 1 20 . 1 1 8 8 GLU HA H 1 4.233 . . . . . . A 8 GLU HA . 19510 1 21 . 1 1 8 8 GLU HB2 H 1 2.162 . . . . . . A 8 GLU HB2 . 19510 1 22 . 1 1 8 8 GLU HB3 H 1 2.377 . . . . . . A 8 GLU HB3 . 19510 1 23 . 1 1 8 8 GLU HG2 H 1 2.451 . . . . . . A 8 GLU QG . 19510 1 24 . 1 1 8 8 GLU HG3 H 1 2.451 . . . . . . A 8 GLU QG . 19510 1 25 . 1 1 8 8 GLU C C 13 176.964 . . . . . . A 8 GLU C . 19510 1 26 . 1 1 8 8 GLU CA C 13 57.517 . . . . . . A 8 GLU CA . 19510 1 27 . 1 1 8 8 GLU CB C 13 27.744 . . . . . . A 8 GLU CB . 19510 1 28 . 1 1 8 8 GLU CG C 13 34.554 . . . . . . A 8 GLU CG . 19510 1 29 . 1 1 8 8 GLU N N 15 121.095 . . . . . . A 8 GLU N . 19510 1 30 . 1 1 9 9 ARG H H 1 8.291 . . . . . . A 9 ARG H . 19510 1 31 . 1 1 9 9 ARG HA H 1 4.310 . . . . . . A 9 ARG HA . 19510 1 32 . 1 1 9 9 ARG HB2 H 1 1.992 . . . . . . A 9 ARG HB2 . 19510 1 33 . 1 1 9 9 ARG HG2 H 1 1.768 . . . . . . A 9 ARG HG2 . 19510 1 34 . 1 1 9 9 ARG HG3 H 1 1.806 . . . . . . A 9 ARG HG3 . 19510 1 35 . 1 1 9 9 ARG HD2 H 1 3.321 . . . . . . A 9 ARG QD . 19510 1 36 . 1 1 9 9 ARG HD3 H 1 3.321 . . . . . . A 9 ARG QD . 19510 1 37 . 1 1 9 9 ARG C C 13 176.563 . . . . . . A 9 ARG C . 19510 1 38 . 1 1 9 9 ARG CA C 13 56.233 . . . . . . A 9 ARG CA . 19510 1 39 . 1 1 9 9 ARG CB C 13 28.977 . . . . . . A 9 ARG CB . 19510 1 40 . 1 1 9 9 ARG CG C 13 26.050 . . . . . . A 9 ARG CG . 19510 1 41 . 1 1 9 9 ARG CD C 13 42.628 . . . . . . A 9 ARG CD . 19510 1 42 . 1 1 9 9 ARG N N 15 121.320 . . . . . . A 9 ARG N . 19510 1 43 . 1 1 9 9 ARG NH2 N 15 115.742 . . . . . . A 9 ARG NH2 . 19510 1 44 . 1 1 10 10 ALA H H 1 8.225 . . . . . . A 10 ALA H . 19510 1 45 . 1 1 10 10 ALA HA H 1 4.333 . . . . . . A 10 ALA HA . 19510 1 46 . 1 1 10 10 ALA HB1 H 1 1.540 . . . . . . A 10 ALA QB . 19510 1 47 . 1 1 10 10 ALA HB2 H 1 1.540 . . . . . . A 10 ALA QB . 19510 1 48 . 1 1 10 10 ALA HB3 H 1 1.540 . . . . . . A 10 ALA QB . 19510 1 49 . 1 1 10 10 ALA C C 13 178.129 . . . . . . A 10 ALA C . 19510 1 50 . 1 1 10 10 ALA CA C 13 52.348 . . . . . . A 10 ALA CA . 19510 1 51 . 1 1 10 10 ALA CB C 13 17.396 . . . . . . A 10 ALA CB . 19510 1 52 . 1 1 10 10 ALA N N 15 123.900 . . . . . . A 10 ALA N . 19510 1 53 . 1 1 11 11 HIS H H 1 8.500 . . . . . . A 11 HIS H . 19510 1 54 . 1 1 11 11 HIS HA H 1 4.740 . . . . . . A 11 HIS HA . 19510 1 55 . 1 1 11 11 HIS HB2 H 1 3.475 . . . . . . A 11 HIS HB2 . 19510 1 56 . 1 1 11 11 HIS HD2 H 1 7.416 . . . . . . A 11 HIS HD2 . 19510 1 57 . 1 1 11 11 HIS HE1 H 1 8.737 . . . . . . A 11 HIS HE1 . 19510 1 58 . 1 1 11 11 HIS C C 13 175.013 . . . . . . A 11 HIS C . 19510 1 59 . 1 1 11 11 HIS CA C 13 55.041 . . . . . . A 11 HIS CA . 19510 1 60 . 1 1 11 11 HIS CB C 13 27.391 . . . . . . A 11 HIS CB . 19510 1 61 . 1 1 11 11 HIS CD2 C 13 117.068 . . . . . . A 11 HIS CD2 . 19510 1 62 . 1 1 11 11 HIS CE1 C 13 133.735 . . . . . . A 11 HIS CE1 . 19510 1 63 . 1 1 11 11 HIS N N 15 117.829 . . . . . . A 11 HIS N . 19510 1 64 . 1 1 12 12 GLU H H 1 8.456 . . . . . . A 12 GLU H . 19510 1 65 . 1 1 12 12 GLU HA H 1 4.326 . . . . . . A 12 GLU HA . 19510 1 66 . 1 1 12 12 GLU HB2 H 1 2.262 . . . . . . A 12 GLU QB . 19510 1 67 . 1 1 12 12 GLU HB3 H 1 2.262 . . . . . . A 12 GLU QB . 19510 1 68 . 1 1 12 12 GLU HG2 H 1 2.481 . . . . . . A 12 GLU QG . 19510 1 69 . 1 1 12 12 GLU HG3 H 1 2.481 . . . . . . A 12 GLU QG . 19510 1 70 . 1 1 12 12 GLU C C 13 176.808 . . . . . . A 12 GLU C . 19510 1 71 . 1 1 12 12 GLU CA C 13 56.517 . . . . . . A 12 GLU CA . 19510 1 72 . 1 1 12 12 GLU CB C 13 28.289 . . . . . . A 12 GLU CB . 19510 1 73 . 1 1 12 12 GLU CG C 13 34.398 . . . . . . A 12 GLU CG . 19510 1 74 . 1 1 12 12 GLU N N 15 121.398 . . . . . . A 12 GLU N . 19510 1 75 . 1 1 13 13 ALA H H 1 8.444 . . . . . . A 13 ALA H . 19510 1 76 . 1 1 13 13 ALA HA H 1 4.309 . . . . . . A 13 ALA HA . 19510 1 77 . 1 1 13 13 ALA HB1 H 1 1.596 . . . . . . A 13 ALA QB . 19510 1 78 . 1 1 13 13 ALA HB2 H 1 1.596 . . . . . . A 13 ALA QB . 19510 1 79 . 1 1 13 13 ALA HB3 H 1 1.596 . . . . . . A 13 ALA QB . 19510 1 80 . 1 1 13 13 ALA C C 13 178.197 . . . . . . A 13 ALA C . 19510 1 81 . 1 1 13 13 ALA CA C 13 53.511 . . . . . . A 13 ALA CA . 19510 1 82 . 1 1 13 13 ALA CB C 13 17.174 . . . . . . A 13 ALA CB . 19510 1 83 . 1 1 13 13 ALA N N 15 124.231 . . . . . . A 13 ALA N . 19510 1 84 . 1 1 14 14 LYS H H 1 8.136 . . . . . . A 14 LYS H . 19510 1 85 . 1 1 14 14 LYS HA H 1 4.257 . . . . . . A 14 LYS HA . 19510 1 86 . 1 1 14 14 LYS HB2 H 1 1.824 . . . . . . A 14 LYS HB2 . 19510 1 87 . 1 1 14 14 LYS HB3 H 1 1.892 . . . . . . A 14 LYS HB3 . 19510 1 88 . 1 1 14 14 LYS HG2 H 1 1.376 . . . . . . A 14 LYS HG2 . 19510 1 89 . 1 1 14 14 LYS HG3 H 1 1.475 . . . . . . A 14 LYS HG3 . 19510 1 90 . 1 1 14 14 LYS HD2 H 1 1.722 . . . . . . A 14 LYS QD . 19510 1 91 . 1 1 14 14 LYS HD3 H 1 1.722 . . . . . . A 14 LYS QD . 19510 1 92 . 1 1 14 14 LYS HE2 H 1 3.075 . . . . . . A 14 LYS QE . 19510 1 93 . 1 1 14 14 LYS HE3 H 1 3.075 . . . . . . A 14 LYS QE . 19510 1 94 . 1 1 14 14 LYS C C 13 176.757 . . . . . . A 14 LYS C . 19510 1 95 . 1 1 14 14 LYS CA C 13 56.461 . . . . . . A 14 LYS CA . 19510 1 96 . 1 1 14 14 LYS CB C 13 31.191 . . . . . . A 14 LYS CB . 19510 1 97 . 1 1 14 14 LYS CG C 13 23.349 . . . . . . A 14 LYS CG . 19510 1 98 . 1 1 14 14 LYS CD C 13 27.421 . . . . . . A 14 LYS CD . 19510 1 99 . 1 1 14 14 LYS CE C 13 40.724 . . . . . . A 14 LYS CE . 19510 1 100 . 1 1 14 14 LYS N N 15 120.159 . . . . . . A 14 LYS N . 19510 1 101 . 1 1 15 15 PHE H H 1 7.998 . . . . . . A 15 PHE H . 19510 1 102 . 1 1 15 15 PHE HA H 1 4.527 . . . . . . A 15 PHE HA . 19510 1 103 . 1 1 15 15 PHE HB2 H 1 3.082 . . . . . . A 15 PHE HB2 . 19510 1 104 . 1 1 15 15 PHE HB3 H 1 3.402 . . . . . . A 15 PHE HB3 . 19510 1 105 . 1 1 15 15 PHE HD1 H 1 7.406 . . . . . . A 15 PHE QD . 19510 1 106 . 1 1 15 15 PHE HD2 H 1 7.406 . . . . . . A 15 PHE QD . 19510 1 107 . 1 1 15 15 PHE HE1 H 1 7.479 . . . . . . A 15 PHE QE . 19510 1 108 . 1 1 15 15 PHE HE2 H 1 7.479 . . . . . . A 15 PHE QE . 19510 1 109 . 1 1 15 15 PHE HZ H 1 7.455 . . . . . . A 15 PHE HZ . 19510 1 110 . 1 1 15 15 PHE C C 13 175.635 . . . . . . A 15 PHE C . 19510 1 111 . 1 1 15 15 PHE CA C 13 57.992 . . . . . . A 15 PHE CA . 19510 1 112 . 1 1 15 15 PHE CB C 13 37.908 . . . . . . A 15 PHE CB . 19510 1 113 . 1 1 15 15 PHE CD1 C 13 129.045 . . . . . . A 15 PHE CD1 . 19510 1 114 . 1 1 15 15 PHE CD2 C 13 129.045 . . . . . . A 15 PHE CD2 . 19510 1 115 . 1 1 15 15 PHE CE1 C 13 129.006 . . . . . . A 15 PHE CE1 . 19510 1 116 . 1 1 15 15 PHE CE2 C 13 129.006 . . . . . . A 15 PHE CE2 . 19510 1 117 . 1 1 15 15 PHE CZ C 13 126.988 . . . . . . A 15 PHE CZ . 19510 1 118 . 1 1 15 15 PHE N N 15 118.588 . . . . . . A 15 PHE N . 19510 1 119 . 1 1 16 16 ALA H H 1 8.172 . . . . . . A 16 ALA H . 19510 1 120 . 1 1 16 16 ALA HA H 1 4.317 . . . . . . A 16 ALA HA . 19510 1 121 . 1 1 16 16 ALA HB1 H 1 1.537 . . . . . . A 16 ALA QB . 19510 1 122 . 1 1 16 16 ALA HB2 H 1 1.537 . . . . . . A 16 ALA QB . 19510 1 123 . 1 1 16 16 ALA HB3 H 1 1.537 . . . . . . A 16 ALA QB . 19510 1 124 . 1 1 16 16 ALA C C 13 177.641 . . . . . . A 16 ALA C . 19510 1 125 . 1 1 16 16 ALA CA C 13 52.317 . . . . . . A 16 ALA CA . 19510 1 126 . 1 1 16 16 ALA CB C 13 17.378 . . . . . . A 16 ALA CB . 19510 1 127 . 1 1 16 16 ALA N N 15 122.847 . . . . . . A 16 ALA N . 19510 1 128 . 1 1 17 17 HIS H H 1 8.218 . . . . . . A 17 HIS H . 19510 1 129 . 1 1 17 17 HIS HA H 1 4.839 . . . . . . A 17 HIS HA . 19510 1 130 . 1 1 17 17 HIS HB2 H 1 3.354 . . . . . . A 17 HIS HB2 . 19510 1 131 . 1 1 17 17 HIS HB3 H 1 3.569 . . . . . . A 17 HIS HB3 . 19510 1 132 . 1 1 17 17 HIS HD2 H 1 7.508 . . . . . . A 17 HIS HD2 . 19510 1 133 . 1 1 17 17 HIS HE1 H 1 8.671 . . . . . . A 17 HIS HE1 . 19510 1 134 . 1 1 17 17 HIS CA C 13 54.594 . . . . . . A 17 HIS CA . 19510 1 135 . 1 1 17 17 HIS CB C 13 27.532 . . . . . . A 17 HIS CB . 19510 1 136 . 1 1 17 17 HIS CD2 C 13 117.575 . . . . . . A 17 HIS CD2 . 19510 1 137 . 1 1 17 17 HIS CE1 C 13 134.083 . . . . . . A 17 HIS CE1 . 19510 1 138 . 1 1 17 17 HIS N N 15 115.904 . . . . . . A 17 HIS N . 19510 1 139 . 1 1 18 18 ASP H H 1 8.103 . . . . . . A 18 ASP H . 19510 1 140 . 1 1 18 18 ASP HA H 1 4.758 . . . . . . A 18 ASP HA . 19510 1 141 . 1 1 18 18 ASP HB2 H 1 2.770 . . . . . . A 18 ASP HB2 . 19510 1 142 . 1 1 18 18 ASP HB3 H 1 2.966 . . . . . . A 18 ASP HB3 . 19510 1 143 . 1 1 18 18 ASP CA C 13 53.004 . . . . . . A 18 ASP CA . 19510 1 144 . 1 1 18 18 ASP CB C 13 39.571 . . . . . . A 18 ASP CB . 19510 1 145 . 1 1 18 18 ASP N N 15 121.432 . . . . . . A 18 ASP N . 19510 1 146 . 1 1 19 19 ALA H H 1 8.588 . . . . . . A 19 ALA H . 19510 1 147 . 1 1 19 19 ALA HA H 1 4.303 . . . . . . A 19 ALA HA . 19510 1 148 . 1 1 19 19 ALA HB1 H 1 1.597 . . . . . . A 19 ALA QB . 19510 1 149 . 1 1 19 19 ALA HB2 H 1 1.597 . . . . . . A 19 ALA QB . 19510 1 150 . 1 1 19 19 ALA HB3 H 1 1.597 . . . . . . A 19 ALA QB . 19510 1 151 . 1 1 19 19 ALA CA C 13 53.177 . . . . . . A 19 ALA CA . 19510 1 152 . 1 1 19 19 ALA CB C 13 17.231 . . . . . . A 19 ALA CB . 19510 1 153 . 1 1 19 19 ALA N N 15 126.628 . . . . . . A 19 ALA N . 19510 1 154 . 1 1 20 20 GLU H H 1 8.391 . . . . . . A 20 GLU H . 19510 1 155 . 1 1 20 20 GLU HA H 1 4.314 . . . . . . A 20 GLU HA . 19510 1 156 . 1 1 20 20 GLU HB2 H 1 2.316 . . . . . . A 20 GLU QB . 19510 1 157 . 1 1 20 20 GLU HB3 H 1 2.316 . . . . . . A 20 GLU QB . 19510 1 158 . 1 1 20 20 GLU HG2 H 1 2.467 . . . . . . A 20 GLU HG2 . 19510 1 159 . 1 1 20 20 GLU CA C 13 57.403 . . . . . . A 20 GLU CA . 19510 1 160 . 1 1 20 20 GLU CB C 13 27.780 . . . . . . A 20 GLU CB . 19510 1 161 . 1 1 20 20 GLU CG C 13 34.440 . . . . . . A 20 GLU CG . 19510 1 162 . 1 1 20 20 GLU N N 15 119.826 . . . . . . A 20 GLU N . 19510 1 163 . 1 1 21 21 LEU H H 1 8.134 . . . . . . A 21 LEU H . 19510 1 164 . 1 1 21 21 LEU HA H 1 4.179 . . . . . . A 21 LEU HA . 19510 1 165 . 1 1 21 21 LEU HB2 H 1 1.703 . . . . . . A 21 LEU HB2 . 19510 1 166 . 1 1 21 21 LEU HB3 H 1 1.795 . . . . . . A 21 LEU HB3 . 19510 1 167 . 1 1 21 21 LEU HG H 1 1.745 . . . . . . A 21 LEU HG . 19510 1 168 . 1 1 21 21 LEU HD11 H 1 0.839 . . . . . . A 21 LEU QD1 . 19510 1 169 . 1 1 21 21 LEU HD12 H 1 0.839 . . . . . . A 21 LEU QD1 . 19510 1 170 . 1 1 21 21 LEU HD13 H 1 0.839 . . . . . . A 21 LEU QD1 . 19510 1 171 . 1 1 21 21 LEU HD21 H 1 0.962 . . . . . . A 21 LEU QD2 . 19510 1 172 . 1 1 21 21 LEU HD22 H 1 0.962 . . . . . . A 21 LEU QD2 . 19510 1 173 . 1 1 21 21 LEU HD23 H 1 0.962 . . . . . . A 21 LEU QD2 . 19510 1 174 . 1 1 21 21 LEU CA C 13 56.531 . . . . . . A 21 LEU CA . 19510 1 175 . 1 1 21 21 LEU CB C 13 40.255 . . . . . . A 21 LEU CB . 19510 1 176 . 1 1 21 21 LEU CG C 13 25.881 . . . . . . A 21 LEU CG . 19510 1 177 . 1 1 21 21 LEU CD1 C 13 22.887 . . . . . . A 21 LEU CD1 . 19510 1 178 . 1 1 21 21 LEU CD2 C 13 23.750 . . . . . . A 21 LEU CD2 . 19510 1 179 . 1 1 21 21 LEU N N 15 122.268 . . . . . . A 21 LEU N . 19510 1 180 . 1 1 22 22 ASN H H 1 8.456 . . . . . . A 22 ASN H . 19510 1 181 . 1 1 22 22 ASN HA H 1 4.665 . . . . . . A 22 ASN HA . 19510 1 182 . 1 1 22 22 ASN HB2 H 1 3.128 . . . . . . A 22 ASN HB2 . 19510 1 183 . 1 1 22 22 ASN HB3 H 1 2.975 . . . . . . A 22 ASN HB3 . 19510 1 184 . 1 1 22 22 ASN HD21 H 1 7.110 . . . . . . A 22 ASN HD21 . 19510 1 185 . 1 1 22 22 ASN HD22 H 1 7.692 . . . . . . A 22 ASN HD22 . 19510 1 186 . 1 1 22 22 ASN CA C 13 55.493 . . . . . . A 22 ASN CA . 19510 1 187 . 1 1 22 22 ASN CB C 13 37.084 . . . . . . A 22 ASN CB . 19510 1 188 . 1 1 22 22 ASN N N 15 118.005 . . . . . . A 22 ASN N . 19510 1 189 . 1 1 22 22 ASN ND2 N 15 114.646 . . . . . . A 22 ASN ND2 . 19510 1 190 . 1 1 23 23 PHE H H 1 8.453 . . . . . . A 23 PHE H . 19510 1 191 . 1 1 23 23 PHE HA H 1 4.509 . . . . . . A 23 PHE HA . 19510 1 192 . 1 1 23 23 PHE HB2 H 1 3.427 . . . . . . A 23 PHE QB . 19510 1 193 . 1 1 23 23 PHE HB3 H 1 3.427 . . . . . . A 23 PHE QB . 19510 1 194 . 1 1 23 23 PHE HD1 H 1 7.407 . . . . . . A 23 PHE HD1 . 19510 1 195 . 1 1 23 23 PHE CA C 13 59.496 . . . . . . A 23 PHE CA . 19510 1 196 . 1 1 23 23 PHE CB C 13 37.380 . . . . . . A 23 PHE CB . 19510 1 197 . 1 1 23 23 PHE CD1 C 13 129.123 . . . . . . A 23 PHE CD1 . 19510 1 198 . 1 1 23 23 PHE CD2 C 13 125.592 . . . . . . A 23 PHE CD2 . 19510 1 199 . 1 1 23 23 PHE N N 15 121.379 . . . . . . A 23 PHE N . 19510 1 200 . 1 1 24 24 LYS H H 1 8.504 . . . . . . A 24 LYS H . 19510 1 201 . 1 1 24 24 LYS HA H 1 4.191 . . . . . . A 24 LYS HA . 19510 1 202 . 1 1 24 24 LYS HB2 H 1 2.016 . . . . . . A 24 LYS HB2 . 19510 1 203 . 1 1 24 24 LYS HB3 H 1 2.237 . . . . . . A 24 LYS HB3 . 19510 1 204 . 1 1 24 24 LYS HG2 H 1 2.019 . . . . . . A 24 LYS HG2 . 19510 1 205 . 1 1 24 24 LYS HG3 H 1 1.686 . . . . . . A 24 LYS HG3 . 19510 1 206 . 1 1 24 24 LYS HD2 H 1 1.903 . . . . . . A 24 LYS HD2 . 19510 1 207 . 1 1 24 24 LYS HD3 H 1 1.842 . . . . . . A 24 LYS HD3 . 19510 1 208 . 1 1 24 24 LYS HE2 H 1 3.168 . . . . . . A 24 LYS QE . 19510 1 209 . 1 1 24 24 LYS HE3 H 1 3.168 . . . . . . A 24 LYS QE . 19510 1 210 . 1 1 24 24 LYS C C 13 179.309 . . . . . . A 24 LYS C . 19510 1 211 . 1 1 24 24 LYS CA C 13 58.132 . . . . . . A 24 LYS CA . 19510 1 212 . 1 1 24 24 LYS CB C 13 31.828 . . . . . . A 24 LYS CB . 19510 1 213 . 1 1 24 24 LYS CG C 13 25.065 . . . . . . A 24 LYS CG . 19510 1 214 . 1 1 24 24 LYS CD C 13 28.504 . . . . . . A 24 LYS CD . 19510 1 215 . 1 1 24 24 LYS CE C 13 40.794 . . . . . . A 24 LYS CE . 19510 1 216 . 1 1 24 24 LYS N N 15 120.674 . . . . . . A 24 LYS N . 19510 1 217 . 1 1 25 25 ALA H H 1 8.841 . . . . . . A 25 ALA H . 19510 1 218 . 1 1 25 25 ALA HA H 1 4.146 . . . . . . A 25 ALA HA . 19510 1 219 . 1 1 25 25 ALA HB1 H 1 1.634 . . . . . . A 25 ALA QB . 19510 1 220 . 1 1 25 25 ALA HB2 H 1 1.634 . . . . . . A 25 ALA QB . 19510 1 221 . 1 1 25 25 ALA HB3 H 1 1.634 . . . . . . A 25 ALA QB . 19510 1 222 . 1 1 25 25 ALA C C 13 178.243 . . . . . . A 25 ALA C . 19510 1 223 . 1 1 25 25 ALA CA C 13 53.760 . . . . . . A 25 ALA CA . 19510 1 224 . 1 1 25 25 ALA CB C 13 16.827 . . . . . . A 25 ALA CB . 19510 1 225 . 1 1 25 25 ALA N N 15 123.584 . . . . . . A 25 ALA N . 19510 1 226 . 1 1 26 26 GLU H H 1 8.482 . . . . . . A 26 GLU H . 19510 1 227 . 1 1 26 26 GLU HA H 1 4.083 . . . . . . A 26 GLU HA . 19510 1 228 . 1 1 26 26 GLU HB2 H 1 2.270 . . . . . . A 26 GLU HB2 . 19510 1 229 . 1 1 26 26 GLU HB3 H 1 2.175 . . . . . . A 26 GLU HB3 . 19510 1 230 . 1 1 26 26 GLU HG2 H 1 2.507 . . . . . . A 26 GLU QG . 19510 1 231 . 1 1 26 26 GLU HG3 H 1 2.507 . . . . . . A 26 GLU QG . 19510 1 232 . 1 1 26 26 GLU C C 13 177.265 . . . . . . A 26 GLU C . 19510 1 233 . 1 1 26 26 GLU CA C 13 57.850 . . . . . . A 26 GLU CA . 19510 1 234 . 1 1 26 26 GLU CB C 13 28.891 . . . . . . A 26 GLU CB . 19510 1 235 . 1 1 26 26 GLU CG C 13 34.012 . . . . . . A 26 GLU CG . 19510 1 236 . 1 1 26 26 GLU N N 15 122.239 . . . . . . A 26 GLU N . 19510 1 237 . 1 1 27 27 ALA H H 1 8.043 . . . . . . A 27 ALA H . 19510 1 238 . 1 1 27 27 ALA HA H 1 4.352 . . . . . . A 27 ALA HA . 19510 1 239 . 1 1 27 27 ALA HB1 H 1 1.550 . . . . . . A 27 ALA QB . 19510 1 240 . 1 1 27 27 ALA HB2 H 1 1.550 . . . . . . A 27 ALA QB . 19510 1 241 . 1 1 27 27 ALA HB3 H 1 1.550 . . . . . . A 27 ALA QB . 19510 1 242 . 1 1 27 27 ALA C C 13 180.552 . . . . . . A 27 ALA C . 19510 1 243 . 1 1 27 27 ALA CA C 13 53.519 . . . . . . A 27 ALA CA . 19510 1 244 . 1 1 27 27 ALA CB C 13 16.410 . . . . . . A 27 ALA CB . 19510 1 245 . 1 1 27 27 ALA N N 15 122.124 . . . . . . A 27 ALA N . 19510 1 246 . 1 1 28 28 ARG H H 1 8.101 . . . . . . A 28 ARG H . 19510 1 247 . 1 1 28 28 ARG HA H 1 4.441 . . . . . . A 28 ARG HA . 19510 1 248 . 1 1 28 28 ARG HB2 H 1 2.197 . . . . . . A 28 ARG QB . 19510 1 249 . 1 1 28 28 ARG HB3 H 1 2.197 . . . . . . A 28 ARG QB . 19510 1 250 . 1 1 28 28 ARG HG2 H 1 2.197 . . . . . . A 28 ARG QG . 19510 1 251 . 1 1 28 28 ARG HG3 H 1 2.197 . . . . . . A 28 ARG QG . 19510 1 252 . 1 1 28 28 ARG HD2 H 1 3.380 . . . . . . A 28 ARG QD . 19510 1 253 . 1 1 28 28 ARG HD3 H 1 3.380 . . . . . . A 28 ARG QD . 19510 1 254 . 1 1 28 28 ARG C C 13 176.309 . . . . . . A 28 ARG C . 19510 1 255 . 1 1 28 28 ARG CA C 13 55.369 . . . . . . A 28 ARG CA . 19510 1 256 . 1 1 28 28 ARG CB C 13 28.480 . . . . . . A 28 ARG CB . 19510 1 257 . 1 1 28 28 ARG CG C 13 26.378 . . . . . . A 28 ARG CG . 19510 1 258 . 1 1 28 28 ARG CD C 13 41.942 . . . . . . A 28 ARG CD . 19510 1 259 . 1 1 28 28 ARG N N 15 120.375 . . . . . . A 28 ARG N . 19510 1 260 . 1 1 28 28 ARG NH2 N 15 114.960 . . . . . . A 28 ARG NH2 . 19510 1 261 . 1 1 29 29 ARG H H 1 8.901 . . . . . . A 29 ARG H . 19510 1 262 . 1 1 29 29 ARG HA H 1 3.743 . . . . . . A 29 ARG HA . 19510 1 263 . 1 1 29 29 ARG HB2 H 1 2.188 . . . . . . A 29 ARG HB2 . 19510 1 264 . 1 1 29 29 ARG HG2 H 1 2.402 . . . . . . A 29 ARG HG2 . 19510 1 265 . 1 1 29 29 ARG HG3 H 1 2.004 . . . . . . A 29 ARG HG3 . 19510 1 266 . 1 1 29 29 ARG CA C 13 58.672 . . . . . . A 29 ARG CA . 19510 1 267 . 1 1 29 29 ARG CB C 13 29.051 . . . . . . A 29 ARG CB . 19510 1 268 . 1 1 29 29 ARG CG C 13 27.731 . . . . . . A 29 ARG CG . 19510 1 269 . 1 1 29 29 ARG CD C 13 41.660 . . . . . . A 29 ARG CD . 19510 1 270 . 1 1 29 29 ARG N N 15 122.734 . . . . . . A 29 ARG N . 19510 1 271 . 1 1 29 29 ARG NH2 N 15 110.625 . . . . . . A 29 ARG NH2 . 19510 1 272 . 1 1 30 30 ASN H H 1 8.429 . . . . . . A 30 ASN H . 19510 1 273 . 1 1 30 30 ASN HA H 1 4.634 . . . . . . A 30 ASN HA . 19510 1 274 . 1 1 30 30 ASN HB2 H 1 3.178 . . . . . . A 30 ASN HB2 . 19510 1 275 . 1 1 30 30 ASN HB3 H 1 3.047 . . . . . . A 30 ASN HB3 . 19510 1 276 . 1 1 30 30 ASN HD21 H 1 7.608 . . . . . . A 30 ASN HD21 . 19510 1 277 . 1 1 30 30 ASN HD22 H 1 8.011 . . . . . . A 30 ASN HD22 . 19510 1 278 . 1 1 30 30 ASN C C 13 175.888 . . . . . . A 30 ASN C . 19510 1 279 . 1 1 30 30 ASN CA C 13 55.147 . . . . . . A 30 ASN CA . 19510 1 280 . 1 1 30 30 ASN CB C 13 35.418 . . . . . . A 30 ASN CB . 19510 1 281 . 1 1 30 30 ASN N N 15 119.961 . . . . . . A 30 ASN N . 19510 1 282 . 1 1 30 30 ASN ND2 N 15 112.491 . . . . . . A 30 ASN ND2 . 19510 1 283 . 1 1 31 31 ARG H H 1 8.052 . . . . . . A 31 ARG H . 19510 1 284 . 1 1 31 31 ARG HA H 1 4.282 . . . . . . A 31 ARG HA . 19510 1 285 . 1 1 31 31 ARG HB2 H 1 2.235 . . . . . . A 31 ARG QB . 19510 1 286 . 1 1 31 31 ARG HB3 H 1 2.235 . . . . . . A 31 ARG QB . 19510 1 287 . 1 1 31 31 ARG HG2 H 1 1.962 . . . . . . A 31 ARG QG . 19510 1 288 . 1 1 31 31 ARG HG3 H 1 1.962 . . . . . . A 31 ARG QG . 19510 1 289 . 1 1 31 31 ARG HD2 H 1 3.077 . . . . . . A 31 ARG QD . 19510 1 290 . 1 1 31 31 ARG HD3 H 1 3.077 . . . . . . A 31 ARG QD . 19510 1 291 . 1 1 31 31 ARG C C 13 177.804 . . . . . . A 31 ARG C . 19510 1 292 . 1 1 31 31 ARG CA C 13 58.132 . . . . . . A 31 ARG CA . 19510 1 293 . 1 1 31 31 ARG CB C 13 27.636 . . . . . . A 31 ARG CB . 19510 1 294 . 1 1 31 31 ARG CD C 13 41.594 . . . . . . A 31 ARG CD . 19510 1 295 . 1 1 31 31 ARG N N 15 123.400 . . . . . . A 31 ARG N . 19510 1 296 . 1 1 31 31 ARG NH2 N 15 114.684 . . . . . . A 31 ARG NH2 . 19510 1 297 . 1 1 32 32 LEU H H 1 8.752 . . . . . . A 32 LEU H . 19510 1 298 . 1 1 32 32 LEU HA H 1 4.318 . . . . . . A 32 LEU HA . 19510 1 299 . 1 1 32 32 LEU HB2 H 1 1.761 . . . . . . A 32 LEU HB2 . 19510 1 300 . 1 1 32 32 LEU HB3 H 1 2.237 . . . . . . A 32 LEU HB3 . 19510 1 301 . 1 1 32 32 LEU HG H 1 2.118 . . . . . . A 32 LEU HG . 19510 1 302 . 1 1 32 32 LEU HD11 H 1 1.107 . . . . . . A 32 LEU QD1 . 19510 1 303 . 1 1 32 32 LEU HD12 H 1 1.107 . . . . . . A 32 LEU QD1 . 19510 1 304 . 1 1 32 32 LEU HD13 H 1 1.107 . . . . . . A 32 LEU QD1 . 19510 1 305 . 1 1 32 32 LEU HD21 H 1 1.010 . . . . . . A 32 LEU QD2 . 19510 1 306 . 1 1 32 32 LEU HD22 H 1 1.010 . . . . . . A 32 LEU QD2 . 19510 1 307 . 1 1 32 32 LEU HD23 H 1 1.010 . . . . . . A 32 LEU QD2 . 19510 1 308 . 1 1 32 32 LEU C C 13 180.602 . . . . . . A 32 LEU C . 19510 1 309 . 1 1 32 32 LEU CA C 13 56.471 . . . . . . A 32 LEU CA . 19510 1 310 . 1 1 32 32 LEU CB C 13 40.558 . . . . . . A 32 LEU CB . 19510 1 311 . 1 1 32 32 LEU CG C 13 25.465 . . . . . . A 32 LEU CG . 19510 1 312 . 1 1 32 32 LEU CD1 C 13 20.306 . . . . . . A 32 LEU CD1 . 19510 1 313 . 1 1 32 32 LEU CD2 C 13 23.954 . . . . . . A 32 LEU CD2 . 19510 1 314 . 1 1 32 32 LEU N N 15 119.872 . . . . . . A 32 LEU N . 19510 1 315 . 1 1 33 33 LEU H H 1 9.273 . . . . . . A 33 LEU H . 19510 1 316 . 1 1 33 33 LEU HA H 1 4.301 . . . . . . A 33 LEU HA . 19510 1 317 . 1 1 33 33 LEU HB2 H 1 1.897 . . . . . . A 33 LEU HB2 . 19510 1 318 . 1 1 33 33 LEU HB3 H 1 2.298 . . . . . . A 33 LEU HB3 . 19510 1 319 . 1 1 33 33 LEU HG H 1 1.961 . . . . . . A 33 LEU HG . 19510 1 320 . 1 1 33 33 LEU HD11 H 1 0.937 . . . . . . A 33 LEU QD1 . 19510 1 321 . 1 1 33 33 LEU HD12 H 1 0.937 . . . . . . A 33 LEU QD1 . 19510 1 322 . 1 1 33 33 LEU HD13 H 1 0.937 . . . . . . A 33 LEU QD1 . 19510 1 323 . 1 1 33 33 LEU HD21 H 1 1.111 . . . . . . A 33 LEU QD2 . 19510 1 324 . 1 1 33 33 LEU HD22 H 1 1.111 . . . . . . A 33 LEU QD2 . 19510 1 325 . 1 1 33 33 LEU HD23 H 1 1.111 . . . . . . A 33 LEU QD2 . 19510 1 326 . 1 1 33 33 LEU C C 13 177.992 . . . . . . A 33 LEU C . 19510 1 327 . 1 1 33 33 LEU CA C 13 56.482 . . . . . . A 33 LEU CA . 19510 1 328 . 1 1 33 33 LEU CB C 13 41.626 . . . . . . A 33 LEU CB . 19510 1 329 . 1 1 33 33 LEU CG C 13 25.621 . . . . . . A 33 LEU CG . 19510 1 330 . 1 1 33 33 LEU CD1 C 13 23.931 . . . . . . A 33 LEU CD1 . 19510 1 331 . 1 1 33 33 LEU CD2 C 13 25.680 . . . . . . A 33 LEU CD2 . 19510 1 332 . 1 1 33 33 LEU N N 15 124.468 . . . . . . A 33 LEU N . 19510 1 333 . 1 1 34 34 GLY H H 1 8.907 . . . . . . A 34 GLY H . 19510 1 334 . 1 1 34 34 GLY HA2 H 1 4.170 . . . . . . A 34 GLY QA . 19510 1 335 . 1 1 34 34 GLY HA3 H 1 4.170 . . . . . . A 34 GLY QA . 19510 1 336 . 1 1 34 34 GLY C C 13 174.530 . . . . . . A 34 GLY C . 19510 1 337 . 1 1 34 34 GLY CA C 13 45.447 . . . . . . A 34 GLY CA . 19510 1 338 . 1 1 34 34 GLY N N 15 109.045 . . . . . . A 34 GLY N . 19510 1 339 . 1 1 35 35 GLU H H 1 8.935 . . . . . . A 35 GLU H . 19510 1 340 . 1 1 35 35 GLU HA H 1 4.177 . . . . . . A 35 GLU HA . 19510 1 341 . 1 1 35 35 GLU HB2 H 1 2.397 . . . . . . A 35 GLU HB2 . 19510 1 342 . 1 1 35 35 GLU HG2 H 1 2.782 . . . . . . A 35 GLU HG2 . 19510 1 343 . 1 1 35 35 GLU HG3 H 1 2.449 . . . . . . A 35 GLU HG3 . 19510 1 344 . 1 1 35 35 GLU C C 13 178.866 . . . . . . A 35 GLU C . 19510 1 345 . 1 1 35 35 GLU CA C 13 59.564 . . . . . . A 35 GLU CA . 19510 1 346 . 1 1 35 35 GLU CB C 13 27.692 . . . . . . A 35 GLU CB . 19510 1 347 . 1 1 35 35 GLU CG C 13 35.255 . . . . . . A 35 GLU CG . 19510 1 348 . 1 1 35 35 GLU N N 15 123.414 . . . . . . A 35 GLU N . 19510 1 349 . 1 1 36 36 TRP H H 1 8.531 . . . . . . A 36 TRP H . 19510 1 350 . 1 1 36 36 TRP HA H 1 4.604 . . . . . . A 36 TRP HA . 19510 1 351 . 1 1 36 36 TRP HB2 H 1 3.875 . . . . . . A 36 TRP HB2 . 19510 1 352 . 1 1 36 36 TRP HB3 H 1 3.618 . . . . . . A 36 TRP HB3 . 19510 1 353 . 1 1 36 36 TRP HD1 H 1 7.573 . . . . . . A 36 TRP HD1 . 19510 1 354 . 1 1 36 36 TRP HE1 H 1 10.576 . . . . . . A 36 TRP HE1 . 19510 1 355 . 1 1 36 36 TRP HE3 H 1 7.963 . . . . . . A 36 TRP HE3 . 19510 1 356 . 1 1 36 36 TRP HZ2 H 1 7.434 . . . . . . A 36 TRP HZ2 . 19510 1 357 . 1 1 36 36 TRP HZ3 H 1 6.871 . . . . . . A 36 TRP HZ3 . 19510 1 358 . 1 1 36 36 TRP HH2 H 1 6.788 . . . . . . A 36 TRP HH2 . 19510 1 359 . 1 1 36 36 TRP C C 13 177.618 . . . . . . A 36 TRP C . 19510 1 360 . 1 1 36 36 TRP CA C 13 58.867 . . . . . . A 36 TRP CA . 19510 1 361 . 1 1 36 36 TRP CB C 13 26.021 . . . . . . A 36 TRP CB . 19510 1 362 . 1 1 36 36 TRP CD1 C 13 124.453 . . . . . . A 36 TRP CD1 . 19510 1 363 . 1 1 36 36 TRP CE3 C 13 117.660 . . . . . . A 36 TRP CE3 . 19510 1 364 . 1 1 36 36 TRP CZ2 C 13 112.217 . . . . . . A 36 TRP CZ2 . 19510 1 365 . 1 1 36 36 TRP CZ3 C 13 117.736 . . . . . . A 36 TRP CZ3 . 19510 1 366 . 1 1 36 36 TRP CH2 C 13 120.035 . . . . . . A 36 TRP CH2 . 19510 1 367 . 1 1 36 36 TRP N N 15 124.774 . . . . . . A 36 TRP N . 19510 1 368 . 1 1 36 36 TRP NE1 N 15 132.002 . . . . . . A 36 TRP NE1 . 19510 1 369 . 1 1 37 37 ALA H H 1 9.141 . . . . . . A 37 ALA H . 19510 1 370 . 1 1 37 37 ALA HA H 1 3.403 . . . . . . A 37 ALA HA . 19510 1 371 . 1 1 37 37 ALA HB1 H 1 1.746 . . . . . . A 37 ALA QB . 19510 1 372 . 1 1 37 37 ALA HB2 H 1 1.746 . . . . . . A 37 ALA QB . 19510 1 373 . 1 1 37 37 ALA HB3 H 1 1.746 . . . . . . A 37 ALA QB . 19510 1 374 . 1 1 37 37 ALA C C 13 177.427 . . . . . . A 37 ALA C . 19510 1 375 . 1 1 37 37 ALA CA C 13 53.148 . . . . . . A 37 ALA CA . 19510 1 376 . 1 1 37 37 ALA CB C 13 18.440 . . . . . . A 37 ALA CB . 19510 1 377 . 1 1 37 37 ALA N N 15 123.777 . . . . . . A 37 ALA N . 19510 1 378 . 1 1 38 38 ALA H H 1 8.788 . . . . . . A 38 ALA H . 19510 1 379 . 1 1 38 38 ALA HA H 1 3.523 . . . . . . A 38 ALA HA . 19510 1 380 . 1 1 38 38 ALA HB1 H 1 1.741 . . . . . . A 38 ALA QB . 19510 1 381 . 1 1 38 38 ALA HB2 H 1 1.741 . . . . . . A 38 ALA QB . 19510 1 382 . 1 1 38 38 ALA HB3 H 1 1.741 . . . . . . A 38 ALA QB . 19510 1 383 . 1 1 38 38 ALA C C 13 178.670 . . . . . . A 38 ALA C . 19510 1 384 . 1 1 38 38 ALA CA C 13 53.882 . . . . . . A 38 ALA CA . 19510 1 385 . 1 1 38 38 ALA CB C 13 17.083 . . . . . . A 38 ALA CB . 19510 1 386 . 1 1 38 38 ALA N N 15 119.259 . . . . . . A 38 ALA N . 19510 1 387 . 1 1 39 39 GLY H H 1 7.756 . . . . . . A 39 GLY H . 19510 1 388 . 1 1 39 39 GLY HA2 H 1 4.105 . . . . . . A 39 GLY HA2 . 19510 1 389 . 1 1 39 39 GLY HA3 H 1 4.062 . . . . . . A 39 GLY HA3 . 19510 1 390 . 1 1 39 39 GLY C C 13 177.232 . . . . . . A 39 GLY C . 19510 1 391 . 1 1 39 39 GLY CA C 13 45.519 . . . . . . A 39 GLY CA . 19510 1 392 . 1 1 39 39 GLY N N 15 104.011 . . . . . . A 39 GLY N . 19510 1 393 . 1 1 40 40 LEU H H 1 7.511 . . . . . . A 40 LEU H . 19510 1 394 . 1 1 40 40 LEU HA H 1 4.111 . . . . . . A 40 LEU HA . 19510 1 395 . 1 1 40 40 LEU HB2 H 1 1.627 . . . . . . A 40 LEU HB2 . 19510 1 396 . 1 1 40 40 LEU HB3 H 1 1.114 . . . . . . A 40 LEU HB3 . 19510 1 397 . 1 1 40 40 LEU HG H 1 1.307 . . . . . . A 40 LEU HG . 19510 1 398 . 1 1 40 40 LEU HD11 H 1 0.790 . . . . . . A 40 LEU QD1 . 19510 1 399 . 1 1 40 40 LEU HD12 H 1 0.790 . . . . . . A 40 LEU QD1 . 19510 1 400 . 1 1 40 40 LEU HD13 H 1 0.790 . . . . . . A 40 LEU QD1 . 19510 1 401 . 1 1 40 40 LEU HD21 H 1 0.296 . . . . . . A 40 LEU QD2 . 19510 1 402 . 1 1 40 40 LEU HD22 H 1 0.296 . . . . . . A 40 LEU QD2 . 19510 1 403 . 1 1 40 40 LEU HD23 H 1 0.296 . . . . . . A 40 LEU QD2 . 19510 1 404 . 1 1 40 40 LEU C C 13 178.203 . . . . . . A 40 LEU C . 19510 1 405 . 1 1 40 40 LEU CA C 13 56.123 . . . . . . A 40 LEU CA . 19510 1 406 . 1 1 40 40 LEU CB C 13 40.764 . . . . . . A 40 LEU CB . 19510 1 407 . 1 1 40 40 LEU CG C 13 26.147 . . . . . . A 40 LEU CG . 19510 1 408 . 1 1 40 40 LEU CD1 C 13 22.130 . . . . . . A 40 LEU CD1 . 19510 1 409 . 1 1 40 40 LEU CD2 C 13 24.145 . . . . . . A 40 LEU CD2 . 19510 1 410 . 1 1 40 40 LEU N N 15 125.340 . . . . . . A 40 LEU N . 19510 1 411 . 1 1 41 41 LEU H H 1 7.692 . . . . . . A 41 LEU H . 19510 1 412 . 1 1 41 41 LEU HA H 1 4.139 . . . . . . A 41 LEU HA . 19510 1 413 . 1 1 41 41 LEU HB2 H 1 1.512 . . . . . . A 41 LEU HB2 . 19510 1 414 . 1 1 41 41 LEU HB3 H 1 1.620 . . . . . . A 41 LEU HB3 . 19510 1 415 . 1 1 41 41 LEU HG H 1 1.500 . . . . . . A 41 LEU HG . 19510 1 416 . 1 1 41 41 LEU HD11 H 1 0.840 . . . . . . A 41 LEU QD1 . 19510 1 417 . 1 1 41 41 LEU HD12 H 1 0.840 . . . . . . A 41 LEU QD1 . 19510 1 418 . 1 1 41 41 LEU HD13 H 1 0.840 . . . . . . A 41 LEU QD1 . 19510 1 419 . 1 1 41 41 LEU HD21 H 1 0.237 . . . . . . A 41 LEU QD2 . 19510 1 420 . 1 1 41 41 LEU HD22 H 1 0.237 . . . . . . A 41 LEU QD2 . 19510 1 421 . 1 1 41 41 LEU HD23 H 1 0.237 . . . . . . A 41 LEU QD2 . 19510 1 422 . 1 1 41 41 LEU C C 13 176.119 . . . . . . A 41 LEU C . 19510 1 423 . 1 1 41 41 LEU CA C 13 53.213 . . . . . . A 41 LEU CA . 19510 1 424 . 1 1 41 41 LEU CB C 13 41.092 . . . . . . A 41 LEU CB . 19510 1 425 . 1 1 41 41 LEU CG C 13 24.563 . . . . . . A 41 LEU CG . 19510 1 426 . 1 1 41 41 LEU CD1 C 13 20.798 . . . . . . A 41 LEU CD1 . 19510 1 427 . 1 1 41 41 LEU CD2 C 13 23.072 . . . . . . A 41 LEU CD2 . 19510 1 428 . 1 1 41 41 LEU N N 15 117.234 . . . . . . A 41 LEU N . 19510 1 429 . 1 1 42 42 GLY H H 1 7.896 . . . . . . A 42 GLY H . 19510 1 430 . 1 1 42 42 GLY HA2 H 1 3.924 . . . . . . A 42 GLY HA2 . 19510 1 431 . 1 1 42 42 GLY HA3 H 1 4.163 . . . . . . A 42 GLY HA3 . 19510 1 432 . 1 1 42 42 GLY C C 13 173.775 . . . . . . A 42 GLY C . 19510 1 433 . 1 1 42 42 GLY CA C 13 44.409 . . . . . . A 42 GLY CA . 19510 1 434 . 1 1 42 42 GLY N N 15 109.595 . . . . . . A 42 GLY N . 19510 1 435 . 1 1 43 43 LYS H H 1 8.104 . . . . . . A 43 LYS H . 19510 1 436 . 1 1 43 43 LYS HA H 1 4.737 . . . . . . A 43 LYS HA . 19510 1 437 . 1 1 43 43 LYS HB2 H 1 1.411 . . . . . . A 43 LYS HB2 . 19510 1 438 . 1 1 43 43 LYS HB3 H 1 1.622 . . . . . . A 43 LYS HB3 . 19510 1 439 . 1 1 43 43 LYS HG2 H 1 1.239 . . . . . . A 43 LYS HG2 . 19510 1 440 . 1 1 43 43 LYS HG3 H 1 1.581 . . . . . . A 43 LYS HG3 . 19510 1 441 . 1 1 43 43 LYS HE2 H 1 2.696 . . . . . . A 43 LYS HE2 . 19510 1 442 . 1 1 43 43 LYS C C 13 175.246 . . . . . . A 43 LYS C . 19510 1 443 . 1 1 43 43 LYS CA C 13 54.189 . . . . . . A 43 LYS CA . 19510 1 444 . 1 1 43 43 LYS CB C 13 33.208 . . . . . . A 43 LYS CB . 19510 1 445 . 1 1 43 43 LYS CG C 13 24.085 . . . . . . A 43 LYS CG . 19510 1 446 . 1 1 43 43 LYS CE C 13 40.724 . . . . . . A 43 LYS CE . 19510 1 447 . 1 1 43 43 LYS N N 15 119.965 . . . . . . A 43 LYS N . 19510 1 448 . 1 1 44 44 THR H H 1 8.958 . . . . . . A 44 THR H . 19510 1 449 . 1 1 44 44 THR HA H 1 4.773 . . . . . . A 44 THR HA . 19510 1 450 . 1 1 44 44 THR HB H 1 4.407 . . . . . . A 44 THR HB . 19510 1 451 . 1 1 44 44 THR HG21 H 1 1.271 . . . . . . A 44 THR QG2 . 19510 1 452 . 1 1 44 44 THR HG22 H 1 1.271 . . . . . . A 44 THR QG2 . 19510 1 453 . 1 1 44 44 THR HG23 H 1 1.271 . . . . . . A 44 THR QG2 . 19510 1 454 . 1 1 44 44 THR C C 13 174.392 . . . . . . A 44 THR C . 19510 1 455 . 1 1 44 44 THR CA C 13 58.348 . . . . . . A 44 THR CA . 19510 1 456 . 1 1 44 44 THR CB C 13 70.921 . . . . . . A 44 THR CB . 19510 1 457 . 1 1 44 44 THR CG2 C 13 20.051 . . . . . . A 44 THR CG2 . 19510 1 458 . 1 1 44 44 THR N N 15 114.199 . . . . . . A 44 THR N . 19510 1 459 . 1 1 45 45 GLY H H 1 8.885 . . . . . . A 45 GLY H . 19510 1 460 . 1 1 45 45 GLY HA2 H 1 4.015 . . . . . . A 45 GLY HA2 . 19510 1 461 . 1 1 45 45 GLY HA3 H 1 4.180 . . . . . . A 45 GLY HA3 . 19510 1 462 . 1 1 45 45 GLY C C 13 175.330 . . . . . . A 45 GLY C . 19510 1 463 . 1 1 45 45 GLY CA C 13 45.315 . . . . . . A 45 GLY CA . 19510 1 464 . 1 1 45 45 GLY N N 15 109.657 . . . . . . A 45 GLY N . 19510 1 465 . 1 1 46 46 ASP H H 1 9.318 . . . . . . A 46 ASP H . 19510 1 466 . 1 1 46 46 ASP HA H 1 4.561 . . . . . . A 46 ASP HA . 19510 1 467 . 1 1 46 46 ASP HB2 H 1 2.843 . . . . . . A 46 ASP HB2 . 19510 1 468 . 1 1 46 46 ASP HB3 H 1 2.925 . . . . . . A 46 ASP HB3 . 19510 1 469 . 1 1 46 46 ASP C C 13 177.343 . . . . . . A 46 ASP C . 19510 1 470 . 1 1 46 46 ASP CA C 13 55.829 . . . . . . A 46 ASP CA . 19510 1 471 . 1 1 46 46 ASP CB C 13 39.039 . . . . . . A 46 ASP CB . 19510 1 472 . 1 1 46 46 ASP N N 15 128.403 . . . . . . A 46 ASP N . 19510 1 473 . 1 1 47 47 ASP H H 1 8.521 . . . . . . A 47 ASP H . 19510 1 474 . 1 1 47 47 ASP HA H 1 4.668 . . . . . . A 47 ASP HA . 19510 1 475 . 1 1 47 47 ASP HB2 H 1 2.971 . . . . . . A 47 ASP HB2 . 19510 1 476 . 1 1 47 47 ASP HB3 H 1 3.184 . . . . . . A 47 ASP HB3 . 19510 1 477 . 1 1 47 47 ASP CA C 13 55.545 . . . . . . A 47 ASP CA . 19510 1 478 . 1 1 47 47 ASP CB C 13 39.415 . . . . . . A 47 ASP CB . 19510 1 479 . 1 1 47 47 ASP N N 15 121.367 . . . . . . A 47 ASP N . 19510 1 480 . 1 1 48 48 ALA H H 1 7.262 . . . . . . A 48 ALA H . 19510 1 481 . 1 1 48 48 ALA HA H 1 3.940 . . . . . . A 48 ALA HA . 19510 1 482 . 1 1 48 48 ALA HB1 H 1 1.355 . . . . . . A 48 ALA QB . 19510 1 483 . 1 1 48 48 ALA HB2 H 1 1.355 . . . . . . A 48 ALA QB . 19510 1 484 . 1 1 48 48 ALA HB3 H 1 1.355 . . . . . . A 48 ALA QB . 19510 1 485 . 1 1 48 48 ALA CA C 13 53.331 . . . . . . A 48 ALA CA . 19510 1 486 . 1 1 48 48 ALA CB C 13 16.036 . . . . . . A 48 ALA CB . 19510 1 487 . 1 1 48 48 ALA N N 15 123.210 . . . . . . A 48 ALA N . 19510 1 488 . 1 1 49 49 ARG H H 1 7.805 . . . . . . A 49 ARG H . 19510 1 489 . 1 1 49 49 ARG HA H 1 4.126 . . . . . . A 49 ARG HA . 19510 1 490 . 1 1 49 49 ARG HB2 H 1 2.078 . . . . . . A 49 ARG QB . 19510 1 491 . 1 1 49 49 ARG HB3 H 1 2.078 . . . . . . A 49 ARG QB . 19510 1 492 . 1 1 49 49 ARG HG2 H 1 1.753 . . . . . . A 49 ARG HG2 . 19510 1 493 . 1 1 49 49 ARG HG3 H 1 1.887 . . . . . . A 49 ARG HG3 . 19510 1 494 . 1 1 49 49 ARG HD3 H 1 3.397 . . . . . . A 49 ARG HD3 . 19510 1 495 . 1 1 49 49 ARG CA C 13 57.876 . . . . . . A 49 ARG CA . 19510 1 496 . 1 1 49 49 ARG CB C 13 28.774 . . . . . . A 49 ARG CB . 19510 1 497 . 1 1 49 49 ARG CG C 13 26.285 . . . . . . A 49 ARG CG . 19510 1 498 . 1 1 49 49 ARG CD C 13 41.917 . . . . . . A 49 ARG CD . 19510 1 499 . 1 1 49 49 ARG N N 15 120.088 . . . . . . A 49 ARG N . 19510 1 500 . 1 1 50 50 ALA H H 1 8.387 . . . . . . A 50 ALA H . 19510 1 501 . 1 1 50 50 ALA HA H 1 4.218 . . . . . . A 50 ALA HA . 19510 1 502 . 1 1 50 50 ALA HB1 H 1 1.677 . . . . . . A 50 ALA QB . 19510 1 503 . 1 1 50 50 ALA HB2 H 1 1.677 . . . . . . A 50 ALA QB . 19510 1 504 . 1 1 50 50 ALA HB3 H 1 1.677 . . . . . . A 50 ALA QB . 19510 1 505 . 1 1 50 50 ALA CA C 13 53.399 . . . . . . A 50 ALA CA . 19510 1 506 . 1 1 50 50 ALA CB C 13 16.672 . . . . . . A 50 ALA CB . 19510 1 507 . 1 1 50 50 ALA N N 15 121.061 . . . . . . A 50 ALA N . 19510 1 508 . 1 1 51 51 TYR H H 1 8.095 . . . . . . A 51 TYR H . 19510 1 509 . 1 1 51 51 TYR HA H 1 4.231 . . . . . . A 51 TYR HA . 19510 1 510 . 1 1 51 51 TYR HB2 H 1 3.272 . . . . . . A 51 TYR HB2 . 19510 1 511 . 1 1 51 51 TYR HB3 H 1 3.012 . . . . . . A 51 TYR HB3 . 19510 1 512 . 1 1 51 51 TYR HD1 H 1 7.059 . . . . . . A 51 TYR HD1 . 19510 1 513 . 1 1 51 51 TYR HD2 H 1 7.060 . . . . . . A 51 TYR HD2 . 19510 1 514 . 1 1 51 51 TYR HE1 H 1 6.748 . . . . . . A 51 TYR QE . 19510 1 515 . 1 1 51 51 TYR HE2 H 1 6.748 . . . . . . A 51 TYR QE . 19510 1 516 . 1 1 51 51 TYR C C 13 178.335 . . . . . . A 51 TYR C . 19510 1 517 . 1 1 51 51 TYR CA C 13 60.493 . . . . . . A 51 TYR CA . 19510 1 518 . 1 1 51 51 TYR CB C 13 37.094 . . . . . . A 51 TYR CB . 19510 1 519 . 1 1 51 51 TYR CD1 C 13 129.412 . . . . . . A 51 TYR CD1 . 19510 1 520 . 1 1 51 51 TYR CD2 C 13 129.372 . . . . . . A 51 TYR CD2 . 19510 1 521 . 1 1 51 51 TYR CE1 C 13 115.397 . . . . . . A 51 TYR CE1 . 19510 1 522 . 1 1 51 51 TYR CE2 C 13 115.525 . . . . . . A 51 TYR CE2 . 19510 1 523 . 1 1 51 51 TYR N N 15 119.264 . . . . . . A 51 TYR N . 19510 1 524 . 1 1 52 52 ALA H H 1 8.651 . . . . . . A 52 ALA H . 19510 1 525 . 1 1 52 52 ALA HA H 1 3.899 . . . . . . A 52 ALA HA . 19510 1 526 . 1 1 52 52 ALA HB1 H 1 1.728 . . . . . . A 52 ALA QB . 19510 1 527 . 1 1 52 52 ALA HB2 H 1 1.728 . . . . . . A 52 ALA QB . 19510 1 528 . 1 1 52 52 ALA HB3 H 1 1.728 . . . . . . A 52 ALA QB . 19510 1 529 . 1 1 52 52 ALA C C 13 178.352 . . . . . . A 52 ALA C . 19510 1 530 . 1 1 52 52 ALA CA C 13 54.394 . . . . . . A 52 ALA CA . 19510 1 531 . 1 1 52 52 ALA CB C 13 16.369 . . . . . . A 52 ALA CB . 19510 1 532 . 1 1 52 52 ALA N N 15 124.002 . . . . . . A 52 ALA N . 19510 1 533 . 1 1 53 53 LEU H H 1 7.664 . . . . . . A 53 LEU H . 19510 1 534 . 1 1 53 53 LEU HA H 1 4.301 . . . . . . A 53 LEU HA . 19510 1 535 . 1 1 53 53 LEU HB2 H 1 1.795 . . . . . . A 53 LEU HB2 . 19510 1 536 . 1 1 53 53 LEU HB3 H 1 1.960 . . . . . . A 53 LEU HB3 . 19510 1 537 . 1 1 53 53 LEU HG H 1 1.996 . . . . . . A 53 LEU HG . 19510 1 538 . 1 1 53 53 LEU HD11 H 1 1.015 . . . . . . A 53 LEU QD1 . 19510 1 539 . 1 1 53 53 LEU HD12 H 1 1.015 . . . . . . A 53 LEU QD1 . 19510 1 540 . 1 1 53 53 LEU HD13 H 1 1.015 . . . . . . A 53 LEU QD1 . 19510 1 541 . 1 1 53 53 LEU HD21 H 1 1.052 . . . . . . A 53 LEU QD2 . 19510 1 542 . 1 1 53 53 LEU HD22 H 1 1.052 . . . . . . A 53 LEU QD2 . 19510 1 543 . 1 1 53 53 LEU HD23 H 1 1.052 . . . . . . A 53 LEU QD2 . 19510 1 544 . 1 1 53 53 LEU C C 13 177.452 . . . . . . A 53 LEU C . 19510 1 545 . 1 1 53 53 LEU CA C 13 55.412 . . . . . . A 53 LEU CA . 19510 1 546 . 1 1 53 53 LEU CB C 13 40.510 . . . . . . A 53 LEU CB . 19510 1 547 . 1 1 53 53 LEU CG C 13 25.450 . . . . . . A 53 LEU CG . 19510 1 548 . 1 1 53 53 LEU CD1 C 13 21.716 . . . . . . A 53 LEU CD1 . 19510 1 549 . 1 1 53 53 LEU CD2 C 13 23.588 . . . . . . A 53 LEU CD2 . 19510 1 550 . 1 1 53 53 LEU N N 15 116.593 . . . . . . A 53 LEU N . 19510 1 551 . 1 1 54 54 THR H H 1 7.962 . . . . . . A 54 THR H . 19510 1 552 . 1 1 54 54 THR HA H 1 4.401 . . . . . . A 54 THR HA . 19510 1 553 . 1 1 54 54 THR HB H 1 4.344 . . . . . . A 54 THR HB . 19510 1 554 . 1 1 54 54 THR HG21 H 1 1.446 . . . . . . A 54 THR QG2 . 19510 1 555 . 1 1 54 54 THR HG22 H 1 1.446 . . . . . . A 54 THR QG2 . 19510 1 556 . 1 1 54 54 THR HG23 H 1 1.446 . . . . . . A 54 THR QG2 . 19510 1 557 . 1 1 54 54 THR CA C 13 61.997 . . . . . . A 54 THR CA . 19510 1 558 . 1 1 54 54 THR CB C 13 67.988 . . . . . . A 54 THR CB . 19510 1 559 . 1 1 54 54 THR CG2 C 13 20.222 . . . . . . A 54 THR CG2 . 19510 1 560 . 1 1 54 54 THR N N 15 110.998 . . . . . . A 54 THR N . 19510 1 561 . 1 1 55 55 VAL H H 1 7.217 . . . . . . A 55 VAL H . 19510 1 562 . 1 1 55 55 VAL HA H 1 3.869 . . . . . . A 55 VAL HA . 19510 1 563 . 1 1 55 55 VAL HB H 1 2.324 . . . . . . A 55 VAL HB . 19510 1 564 . 1 1 55 55 VAL HG11 H 1 1.044 . . . . . . A 55 VAL QG1 . 19510 1 565 . 1 1 55 55 VAL HG12 H 1 1.044 . . . . . . A 55 VAL QG1 . 19510 1 566 . 1 1 55 55 VAL HG13 H 1 1.044 . . . . . . A 55 VAL QG1 . 19510 1 567 . 1 1 55 55 VAL HG21 H 1 0.867 . . . . . . A 55 VAL QG2 . 19510 1 568 . 1 1 55 55 VAL HG22 H 1 0.867 . . . . . . A 55 VAL QG2 . 19510 1 569 . 1 1 55 55 VAL HG23 H 1 0.867 . . . . . . A 55 VAL QG2 . 19510 1 570 . 1 1 55 55 VAL CA C 13 62.373 . . . . . . A 55 VAL CA . 19510 1 571 . 1 1 55 55 VAL CB C 13 29.037 . . . . . . A 55 VAL CB . 19510 1 572 . 1 1 55 55 VAL CG1 C 13 21.296 . . . . . . A 55 VAL CG1 . 19510 1 573 . 1 1 55 55 VAL CG2 C 13 21.164 . . . . . . A 55 VAL CG2 . 19510 1 574 . 1 1 55 55 VAL N N 15 123.907 . . . . . . A 55 VAL N . 19510 1 575 . 1 1 56 56 VAL H H 1 7.474 . . . . . . A 56 VAL H . 19510 1 576 . 1 1 56 56 VAL HA H 1 4.300 . . . . . . A 56 VAL HA . 19510 1 577 . 1 1 56 56 VAL HB H 1 2.347 . . . . . . A 56 VAL HB . 19510 1 578 . 1 1 56 56 VAL HG11 H 1 1.089 . . . . . . A 56 VAL QG1 . 19510 1 579 . 1 1 56 56 VAL HG12 H 1 1.089 . . . . . . A 56 VAL QG1 . 19510 1 580 . 1 1 56 56 VAL HG13 H 1 1.089 . . . . . . A 56 VAL QG1 . 19510 1 581 . 1 1 56 56 VAL HG21 H 1 1.046 . . . . . . A 56 VAL QG2 . 19510 1 582 . 1 1 56 56 VAL HG22 H 1 1.046 . . . . . . A 56 VAL QG2 . 19510 1 583 . 1 1 56 56 VAL HG23 H 1 1.046 . . . . . . A 56 VAL QG2 . 19510 1 584 . 1 1 56 56 VAL CA C 13 55.363 . . . . . . A 56 VAL CA . 19510 1 585 . 1 1 56 56 VAL CB C 13 32.466 . . . . . . A 56 VAL CB . 19510 1 586 . 1 1 56 56 VAL CG1 C 13 19.173 . . . . . . A 56 VAL CG1 . 19510 1 587 . 1 1 56 56 VAL CG2 C 13 21.282 . . . . . . A 56 VAL CG2 . 19510 1 588 . 1 1 56 56 VAL N N 15 119.176 . . . . . . A 56 VAL N . 19510 1 589 . 1 1 57 57 THR H H 1 7.992 . . . . . . A 57 THR H . 19510 1 590 . 1 1 57 57 THR HA H 1 4.509 . . . . . . A 57 THR HA . 19510 1 591 . 1 1 57 57 THR HB H 1 4.347 . . . . . . A 57 THR HB . 19510 1 592 . 1 1 57 57 THR HG21 H 1 1.285 . . . . . . A 57 THR QG2 . 19510 1 593 . 1 1 57 57 THR HG22 H 1 1.285 . . . . . . A 57 THR QG2 . 19510 1 594 . 1 1 57 57 THR HG23 H 1 1.285 . . . . . . A 57 THR QG2 . 19510 1 595 . 1 1 57 57 THR CA C 13 60.698 . . . . . . A 57 THR CA . 19510 1 596 . 1 1 57 57 THR CB C 13 68.177 . . . . . . A 57 THR CB . 19510 1 597 . 1 1 57 57 THR CG2 C 13 19.948 . . . . . . A 57 THR CG2 . 19510 1 598 . 1 1 57 57 THR N N 15 114.951 . . . . . . A 57 THR N . 19510 1 599 . 1 1 58 58 SER H H 1 8.473 . . . . . . A 58 SER H . 19510 1 600 . 1 1 58 58 SER HA H 1 4.554 . . . . . . A 58 SER HA . 19510 1 601 . 1 1 58 58 SER HB2 H 1 3.966 . . . . . . A 58 SER HB2 . 19510 1 602 . 1 1 58 58 SER HB3 H 1 4.024 . . . . . . A 58 SER HB3 . 19510 1 603 . 1 1 58 58 SER CA C 13 57.409 . . . . . . A 58 SER CA . 19510 1 604 . 1 1 58 58 SER CB C 13 62.399 . . . . . . A 58 SER CB . 19510 1 605 . 1 1 58 58 SER N N 15 119.820 . . . . . . A 58 SER N . 19510 1 606 . 1 1 59 59 ASP H H 1 8.285 . . . . . . A 59 ASP H . 19510 1 607 . 1 1 59 59 ASP HA H 1 4.762 . . . . . . A 59 ASP HA . 19510 1 608 . 1 1 59 59 ASP HB2 H 1 2.751 . . . . . . A 59 ASP HB2 . 19510 1 609 . 1 1 59 59 ASP HB3 H 1 2.642 . . . . . . A 59 ASP HB3 . 19510 1 610 . 1 1 59 59 ASP C C 13 175.459 . . . . . . A 59 ASP C . 19510 1 611 . 1 1 59 59 ASP CA C 13 52.469 . . . . . . A 59 ASP CA . 19510 1 612 . 1 1 59 59 ASP CB C 13 39.455 . . . . . . A 59 ASP CB . 19510 1 613 . 1 1 59 59 ASP N N 15 122.199 . . . . . . A 59 ASP N . 19510 1 614 . 1 1 60 60 PHE HA H 1 4.182 . . . . . . A 60 PHE HA . 19510 1 615 . 1 1 60 60 PHE HB2 H 1 2.455 . . . . . . A 60 PHE HB2 . 19510 1 616 . 1 1 60 60 PHE HB3 H 1 2.766 . . . . . . A 60 PHE HB3 . 19510 1 617 . 1 1 60 60 PHE HD1 H 1 7.312 . . . . . . A 60 PHE QD . 19510 1 618 . 1 1 60 60 PHE HD2 H 1 7.312 . . . . . . A 60 PHE QD . 19510 1 619 . 1 1 60 60 PHE HE1 H 1 7.464 . . . . . . A 60 PHE QE . 19510 1 620 . 1 1 60 60 PHE HE2 H 1 7.464 . . . . . . A 60 PHE QE . 19510 1 621 . 1 1 60 60 PHE CA C 13 59.253 . . . . . . A 60 PHE CA . 19510 1 622 . 1 1 60 60 PHE CB C 13 35.163 . . . . . . A 60 PHE CB . 19510 1 623 . 1 1 60 60 PHE CD1 C 13 126.664 . . . . . . A 60 PHE CD1 . 19510 1 624 . 1 1 60 60 PHE CD2 C 13 126.664 . . . . . . A 60 PHE CD2 . 19510 1 625 . 1 1 60 60 PHE CE2 C 13 128.291 . . . . . . A 60 PHE CE2 . 19510 1 626 . 1 1 63 63 PRO HA H 1 4.606 . . . . . . A 63 PRO HA . 19510 1 627 . 1 1 63 63 PRO HB2 H 1 2.104 . . . . . . A 63 PRO QB . 19510 1 628 . 1 1 63 63 PRO HB3 H 1 2.104 . . . . . . A 63 PRO QB . 19510 1 629 . 1 1 63 63 PRO HG3 H 1 2.156 . . . . . . A 63 PRO HG3 . 19510 1 630 . 1 1 63 63 PRO HD2 H 1 3.914 . . . . . . A 63 PRO QD . 19510 1 631 . 1 1 63 63 PRO HD3 H 1 3.914 . . . . . . A 63 PRO QD . 19510 1 632 . 1 1 63 63 PRO CA C 13 55.716 . . . . . . A 63 PRO CA . 19510 1 633 . 1 1 63 63 PRO CB C 13 30.732 . . . . . . A 63 PRO CB . 19510 1 634 . 1 1 63 63 PRO CG C 13 26.259 . . . . . . A 63 PRO CG . 19510 1 635 . 1 1 63 63 PRO CD C 13 49.042 . . . . . . A 63 PRO CD . 19510 1 636 . 1 1 64 64 GLY H H 1 8.706 . . . . . . A 64 GLY H . 19510 1 637 . 1 1 64 64 GLY HA2 H 1 4.237 . . . . . . A 64 GLY QA . 19510 1 638 . 1 1 64 64 GLY HA3 H 1 4.237 . . . . . . A 64 GLY QA . 19510 1 639 . 1 1 64 64 GLY CA C 13 44.280 . . . . . . A 64 GLY CA . 19510 1 640 . 1 1 64 64 GLY N N 15 110.382 . . . . . . A 64 GLY N . 19510 1 641 . 1 1 65 65 ASP H H 1 8.661 . . . . . . A 65 ASP H . 19510 1 642 . 1 1 65 65 ASP HA H 1 4.663 . . . . . . A 65 ASP HA . 19510 1 643 . 1 1 65 65 ASP HB2 H 1 2.876 . . . . . . A 65 ASP QB . 19510 1 644 . 1 1 65 65 ASP HB3 H 1 2.876 . . . . . . A 65 ASP QB . 19510 1 645 . 1 1 65 65 ASP CA C 13 55.765 . . . . . . A 65 ASP CA . 19510 1 646 . 1 1 65 65 ASP CB C 13 39.579 . . . . . . A 65 ASP CB . 19510 1 647 . 1 1 65 65 ASP N N 15 121.977 . . . . . . A 65 ASP N . 19510 1 648 . 1 1 66 66 GLU H H 1 8.643 . . . . . . A 66 GLU H . 19510 1 649 . 1 1 66 66 GLU HA H 1 4.437 . . . . . . A 66 GLU HA . 19510 1 650 . 1 1 66 66 GLU HB2 H 1 2.250 . . . . . . A 66 GLU QB . 19510 1 651 . 1 1 66 66 GLU HB3 H 1 2.250 . . . . . . A 66 GLU QB . 19510 1 652 . 1 1 66 66 GLU HG2 H 1 2.599 . . . . . . A 66 GLU QG . 19510 1 653 . 1 1 66 66 GLU HG3 H 1 2.599 . . . . . . A 66 GLU QG . 19510 1 654 . 1 1 66 66 GLU CA C 13 57.520 . . . . . . A 66 GLU CA . 19510 1 655 . 1 1 66 66 GLU CB C 13 27.598 . . . . . . A 66 GLU CB . 19510 1 656 . 1 1 66 66 GLU CG C 13 34.205 . . . . . . A 66 GLU CG . 19510 1 657 . 1 1 66 66 GLU N N 15 120.065 . . . . . . A 66 GLU N . 19510 1 658 . 1 1 67 67 ASP H H 1 8.272 . . . . . . A 67 ASP H . 19510 1 659 . 1 1 67 67 ASP HA H 1 4.609 . . . . . . A 67 ASP HA . 19510 1 660 . 1 1 67 67 ASP HB2 H 1 2.977 . . . . . . A 67 ASP HB2 . 19510 1 661 . 1 1 67 67 ASP CA C 13 55.601 . . . . . . A 67 ASP CA . 19510 1 662 . 1 1 67 67 ASP CB C 13 39.106 . . . . . . A 67 ASP CB . 19510 1 663 . 1 1 67 67 ASP N N 15 120.033 . . . . . . A 67 ASP N . 19510 1 664 . 1 1 68 68 VAL H H 1 8.045 . . . . . . A 68 VAL H . 19510 1 665 . 1 1 68 68 VAL HA H 1 3.817 . . . . . . A 68 VAL HA . 19510 1 666 . 1 1 68 68 VAL HB H 1 2.225 . . . . . . A 68 VAL HB . 19510 1 667 . 1 1 68 68 VAL HG11 H 1 1.098 . . . . . . A 68 VAL QG1 . 19510 1 668 . 1 1 68 68 VAL HG12 H 1 1.098 . . . . . . A 68 VAL QG1 . 19510 1 669 . 1 1 68 68 VAL HG13 H 1 1.098 . . . . . . A 68 VAL QG1 . 19510 1 670 . 1 1 68 68 VAL HG21 H 1 1.011 . . . . . . A 68 VAL QG2 . 19510 1 671 . 1 1 68 68 VAL HG22 H 1 1.011 . . . . . . A 68 VAL QG2 . 19510 1 672 . 1 1 68 68 VAL HG23 H 1 1.011 . . . . . . A 68 VAL QG2 . 19510 1 673 . 1 1 68 68 VAL CA C 13 65.715 . . . . . . A 68 VAL CA . 19510 1 674 . 1 1 68 68 VAL CB C 13 30.705 . . . . . . A 68 VAL CB . 19510 1 675 . 1 1 68 68 VAL CG1 C 13 21.299 . . . . . . A 68 VAL CG1 . 19510 1 676 . 1 1 68 68 VAL CG2 C 13 20.168 . . . . . . A 68 VAL CG2 . 19510 1 677 . 1 1 68 68 VAL N N 15 123.206 . . . . . . A 68 VAL N . 19510 1 678 . 1 1 69 69 PHE H H 1 8.488 . . . . . . A 69 PHE H . 19510 1 679 . 1 1 69 69 PHE HA H 1 4.158 . . . . . . A 69 PHE HA . 19510 1 680 . 1 1 69 69 PHE HB2 H 1 3.270 . . . . . . A 69 PHE QB . 19510 1 681 . 1 1 69 69 PHE HB3 H 1 3.270 . . . . . . A 69 PHE QB . 19510 1 682 . 1 1 69 69 PHE HD1 H 1 7.319 . . . . . . A 69 PHE QD . 19510 1 683 . 1 1 69 69 PHE HD2 H 1 7.319 . . . . . . A 69 PHE QD . 19510 1 684 . 1 1 69 69 PHE CA C 13 61.013 . . . . . . A 69 PHE CA . 19510 1 685 . 1 1 69 69 PHE CB C 13 37.455 . . . . . . A 69 PHE CB . 19510 1 686 . 1 1 69 69 PHE CD1 C 13 129.407 . . . . . . A 69 PHE CD1 . 19510 1 687 . 1 1 69 69 PHE CD2 C 13 129.410 . . . . . . A 69 PHE CD2 . 19510 1 688 . 1 1 69 69 PHE CE2 C 13 126.664 . . . . . . A 69 PHE CE2 . 19510 1 689 . 1 1 69 69 PHE N N 15 120.600 . . . . . . A 69 PHE N . 19510 1 690 . 1 1 70 70 ARG H H 1 8.611 . . . . . . A 70 ARG H . 19510 1 691 . 1 1 70 70 ARG HA H 1 3.755 . . . . . . A 70 ARG HA . 19510 1 692 . 1 1 70 70 ARG HB2 H 1 2.184 . . . . . . A 70 ARG HB2 . 19510 1 693 . 1 1 70 70 ARG HB3 H 1 2.024 . . . . . . A 70 ARG HB3 . 19510 1 694 . 1 1 70 70 ARG HG2 H 1 1.916 . . . . . . A 70 ARG HG2 . 19510 1 695 . 1 1 70 70 ARG C C 13 178.813 . . . . . . A 70 ARG C . 19510 1 696 . 1 1 70 70 ARG CA C 13 58.184 . . . . . . A 70 ARG CA . 19510 1 697 . 1 1 70 70 ARG CB C 13 28.899 . . . . . . A 70 ARG CB . 19510 1 698 . 1 1 70 70 ARG CG C 13 26.988 . . . . . . A 70 ARG CG . 19510 1 699 . 1 1 70 70 ARG CD C 13 42.748 . . . . . . A 70 ARG CD . 19510 1 700 . 1 1 70 70 ARG N N 15 117.820 . . . . . . A 70 ARG N . 19510 1 701 . 1 1 71 71 LYS H H 1 7.686 . . . . . . A 71 LYS H . 19510 1 702 . 1 1 71 71 LYS HA H 1 4.253 . . . . . . A 71 LYS HA . 19510 1 703 . 1 1 71 71 LYS HB3 H 1 2.175 . . . . . . A 71 LYS HB3 . 19510 1 704 . 1 1 71 71 LYS HD2 H 1 2.246 . . . . . . A 71 LYS QD . 19510 1 705 . 1 1 71 71 LYS HD3 H 1 2.246 . . . . . . A 71 LYS QD . 19510 1 706 . 1 1 71 71 LYS C C 13 177.020 . . . . . . A 71 LYS C . 19510 1 707 . 1 1 71 71 LYS CA C 13 58.490 . . . . . . A 71 LYS CA . 19510 1 708 . 1 1 71 71 LYS CB C 13 31.216 . . . . . . A 71 LYS CB . 19510 1 709 . 1 1 71 71 LYS CG C 13 23.998 . . . . . . A 71 LYS CG . 19510 1 710 . 1 1 71 71 LYS CD C 13 27.156 . . . . . . A 71 LYS CD . 19510 1 711 . 1 1 71 71 LYS N N 15 121.726 . . . . . . A 71 LYS N . 19510 1 712 . 1 1 72 72 LEU H H 1 8.215 . . . . . . A 72 LEU H . 19510 1 713 . 1 1 72 72 LEU HA H 1 4.051 . . . . . . A 72 LEU HA . 19510 1 714 . 1 1 72 72 LEU HB2 H 1 2.113 . . . . . . A 72 LEU HB2 . 19510 1 715 . 1 1 72 72 LEU HB3 H 1 1.430 . . . . . . A 72 LEU HB3 . 19510 1 716 . 1 1 72 72 LEU HG H 1 1.133 . . . . . . A 72 LEU HG . 19510 1 717 . 1 1 72 72 LEU HD11 H 1 1.159 . . . . . . A 72 LEU QD1 . 19510 1 718 . 1 1 72 72 LEU HD12 H 1 1.159 . . . . . . A 72 LEU QD1 . 19510 1 719 . 1 1 72 72 LEU HD13 H 1 1.159 . . . . . . A 72 LEU QD1 . 19510 1 720 . 1 1 72 72 LEU HD21 H 1 1.129 . . . . . . A 72 LEU QD2 . 19510 1 721 . 1 1 72 72 LEU HD22 H 1 1.129 . . . . . . A 72 LEU QD2 . 19510 1 722 . 1 1 72 72 LEU HD23 H 1 1.129 . . . . . . A 72 LEU QD2 . 19510 1 723 . 1 1 72 72 LEU C C 13 177.378 . . . . . . A 72 LEU C . 19510 1 724 . 1 1 72 72 LEU CA C 13 56.317 . . . . . . A 72 LEU CA . 19510 1 725 . 1 1 72 72 LEU CB C 13 41.148 . . . . . . A 72 LEU CB . 19510 1 726 . 1 1 72 72 LEU CG C 13 25.741 . . . . . . A 72 LEU CG . 19510 1 727 . 1 1 72 72 LEU CD1 C 13 26.597 . . . . . . A 72 LEU CD1 . 19510 1 728 . 1 1 72 72 LEU CD2 C 13 22.114 . . . . . . A 72 LEU CD2 . 19510 1 729 . 1 1 72 72 LEU N N 15 119.355 . . . . . . A 72 LEU N . 19510 1 730 . 1 1 73 73 ALA H H 1 9.143 . . . . . . A 73 ALA H . 19510 1 731 . 1 1 73 73 ALA HA H 1 3.767 . . . . . . A 73 ALA HA . 19510 1 732 . 1 1 73 73 ALA HB1 H 1 0.999 . . . . . . A 73 ALA QB . 19510 1 733 . 1 1 73 73 ALA HB2 H 1 0.999 . . . . . . A 73 ALA QB . 19510 1 734 . 1 1 73 73 ALA HB3 H 1 0.999 . . . . . . A 73 ALA QB . 19510 1 735 . 1 1 73 73 ALA C C 13 179.644 . . . . . . A 73 ALA C . 19510 1 736 . 1 1 73 73 ALA CA C 13 53.263 . . . . . . A 73 ALA CA . 19510 1 737 . 1 1 73 73 ALA CB C 13 15.930 . . . . . . A 73 ALA CB . 19510 1 738 . 1 1 73 73 ALA N N 15 121.106 . . . . . . A 73 ALA N . 19510 1 739 . 1 1 74 74 ALA H H 1 7.403 . . . . . . A 74 ALA H . 19510 1 740 . 1 1 74 74 ALA HA H 1 4.384 . . . . . . A 74 ALA HA . 19510 1 741 . 1 1 74 74 ALA HB1 H 1 1.678 . . . . . . A 74 ALA QB . 19510 1 742 . 1 1 74 74 ALA HB2 H 1 1.678 . . . . . . A 74 ALA QB . 19510 1 743 . 1 1 74 74 ALA HB3 H 1 1.678 . . . . . . A 74 ALA QB . 19510 1 744 . 1 1 74 74 ALA C C 13 179.752 . . . . . . A 74 ALA C . 19510 1 745 . 1 1 74 74 ALA CA C 13 53.524 . . . . . . A 74 ALA CA . 19510 1 746 . 1 1 74 74 ALA CB C 13 17.094 . . . . . . A 74 ALA CB . 19510 1 747 . 1 1 74 74 ALA N N 15 119.383 . . . . . . A 74 ALA N . 19510 1 748 . 1 1 75 75 ASP H H 1 8.536 . . . . . . A 75 ASP H . 19510 1 749 . 1 1 75 75 ASP HA H 1 4.523 . . . . . . A 75 ASP HA . 19510 1 750 . 1 1 75 75 ASP HB2 H 1 2.874 . . . . . . A 75 ASP HB2 . 19510 1 751 . 1 1 75 75 ASP HB3 H 1 2.721 . . . . . . A 75 ASP HB3 . 19510 1 752 . 1 1 75 75 ASP C C 13 177.704 . . . . . . A 75 ASP C . 19510 1 753 . 1 1 75 75 ASP CA C 13 55.312 . . . . . . A 75 ASP CA . 19510 1 754 . 1 1 75 75 ASP CB C 13 38.326 . . . . . . A 75 ASP CB . 19510 1 755 . 1 1 75 75 ASP N N 15 120.226 . . . . . . A 75 ASP N . 19510 1 756 . 1 1 76 76 LEU H H 1 8.612 . . . . . . A 76 LEU H . 19510 1 757 . 1 1 76 76 LEU HA H 1 4.392 . . . . . . A 76 LEU HA . 19510 1 758 . 1 1 76 76 LEU HB2 H 1 2.041 . . . . . . A 76 LEU HB2 . 19510 1 759 . 1 1 76 76 LEU HB3 H 1 1.704 . . . . . . A 76 LEU HB3 . 19510 1 760 . 1 1 76 76 LEU HG H 1 1.773 . . . . . . A 76 LEU HG . 19510 1 761 . 1 1 76 76 LEU HD11 H 1 0.671 . . . . . . A 76 LEU QD1 . 19510 1 762 . 1 1 76 76 LEU HD12 H 1 0.671 . . . . . . A 76 LEU QD1 . 19510 1 763 . 1 1 76 76 LEU HD13 H 1 0.671 . . . . . . A 76 LEU QD1 . 19510 1 764 . 1 1 76 76 LEU HD21 H 1 0.714 . . . . . . A 76 LEU QD2 . 19510 1 765 . 1 1 76 76 LEU HD22 H 1 0.714 . . . . . . A 76 LEU QD2 . 19510 1 766 . 1 1 76 76 LEU HD23 H 1 0.714 . . . . . . A 76 LEU QD2 . 19510 1 767 . 1 1 76 76 LEU C C 13 174.790 . . . . . . A 76 LEU C . 19510 1 768 . 1 1 76 76 LEU CA C 13 52.624 . . . . . . A 76 LEU CA . 19510 1 769 . 1 1 76 76 LEU CB C 13 39.594 . . . . . . A 76 LEU CB . 19510 1 770 . 1 1 76 76 LEU CG C 13 25.437 . . . . . . A 76 LEU CG . 19510 1 771 . 1 1 76 76 LEU CD1 C 13 21.253 . . . . . . A 76 LEU CD1 . 19510 1 772 . 1 1 76 76 LEU CD2 C 13 25.393 . . . . . . A 76 LEU CD2 . 19510 1 773 . 1 1 76 76 LEU N N 15 115.468 . . . . . . A 76 LEU N . 19510 1 774 . 1 1 77 77 GLU H H 1 7.158 . . . . . . A 77 GLU H . 19510 1 775 . 1 1 77 77 GLU HA H 1 4.343 . . . . . . A 77 GLU HA . 19510 1 776 . 1 1 77 77 GLU HB2 H 1 2.394 . . . . . . A 77 GLU HB2 . 19510 1 777 . 1 1 77 77 GLU HB3 H 1 2.174 . . . . . . A 77 GLU HB3 . 19510 1 778 . 1 1 77 77 GLU HG2 H 1 2.622 . . . . . . A 77 GLU HG2 . 19510 1 779 . 1 1 77 77 GLU HG3 H 1 2.514 . . . . . . A 77 GLU HG3 . 19510 1 780 . 1 1 77 77 GLU C C 13 176.953 . . . . . . A 77 GLU C . 19510 1 781 . 1 1 77 77 GLU CA C 13 57.345 . . . . . . A 77 GLU CA . 19510 1 782 . 1 1 77 77 GLU CB C 13 27.555 . . . . . . A 77 GLU CB . 19510 1 783 . 1 1 77 77 GLU CG C 13 33.573 . . . . . . A 77 GLU CG . 19510 1 784 . 1 1 77 77 GLU N N 15 124.725 . . . . . . A 77 GLU N . 19510 1 785 . 1 1 78 78 GLY H H 1 9.392 . . . . . . A 78 GLY H . 19510 1 786 . 1 1 78 78 GLY HA2 H 1 4.476 . . . . . . A 78 GLY HA2 . 19510 1 787 . 1 1 78 78 GLY HA3 H 1 3.873 . . . . . . A 78 GLY HA3 . 19510 1 788 . 1 1 78 78 GLY C C 13 173.075 . . . . . . A 78 GLY C . 19510 1 789 . 1 1 78 78 GLY CA C 13 44.269 . . . . . . A 78 GLY CA . 19510 1 790 . 1 1 78 78 GLY N N 15 118.105 . . . . . . A 78 GLY N . 19510 1 791 . 1 1 79 79 LYS H H 1 8.809 . . . . . . A 79 LYS H . 19510 1 792 . 1 1 79 79 LYS HA H 1 4.663 . . . . . . A 79 LYS HA . 19510 1 793 . 1 1 79 79 LYS HB2 H 1 1.816 . . . . . . A 79 LYS HB2 . 19510 1 794 . 1 1 79 79 LYS HB3 H 1 1.710 . . . . . . A 79 LYS HB3 . 19510 1 795 . 1 1 79 79 LYS HG2 H 1 1.414 . . . . . . A 79 LYS QG . 19510 1 796 . 1 1 79 79 LYS HG3 H 1 1.414 . . . . . . A 79 LYS QG . 19510 1 797 . 1 1 79 79 LYS HD2 H 1 1.616 . . . . . . A 79 LYS HD2 . 19510 1 798 . 1 1 79 79 LYS HD3 H 1 1.717 . . . . . . A 79 LYS HD3 . 19510 1 799 . 1 1 79 79 LYS HE2 H 1 3.126 . . . . . . A 79 LYS QE . 19510 1 800 . 1 1 79 79 LYS HE3 H 1 3.126 . . . . . . A 79 LYS QE . 19510 1 801 . 1 1 79 79 LYS C C 13 175.050 . . . . . . A 79 LYS C . 19510 1 802 . 1 1 79 79 LYS CA C 13 54.683 . . . . . . A 79 LYS CA . 19510 1 803 . 1 1 79 79 LYS CB C 13 33.435 . . . . . . A 79 LYS CB . 19510 1 804 . 1 1 79 79 LYS CG C 13 23.608 . . . . . . A 79 LYS CG . 19510 1 805 . 1 1 79 79 LYS CD C 13 27.240 . . . . . . A 79 LYS CD . 19510 1 806 . 1 1 79 79 LYS CE C 13 41.060 . . . . . . A 79 LYS CE . 19510 1 807 . 1 1 79 79 LYS N N 15 120.237 . . . . . . A 79 LYS N . 19510 1 808 . 1 1 80 80 ALA H H 1 8.169 . . . . . . A 80 ALA H . 19510 1 809 . 1 1 80 80 ALA HA H 1 4.893 . . . . . . A 80 ALA HA . 19510 1 810 . 1 1 80 80 ALA HB1 H 1 1.498 . . . . . . A 80 ALA QB . 19510 1 811 . 1 1 80 80 ALA HB2 H 1 1.498 . . . . . . A 80 ALA QB . 19510 1 812 . 1 1 80 80 ALA HB3 H 1 1.498 . . . . . . A 80 ALA QB . 19510 1 813 . 1 1 80 80 ALA C C 13 174.051 . . . . . . A 80 ALA C . 19510 1 814 . 1 1 80 80 ALA CA C 13 50.289 . . . . . . A 80 ALA CA . 19510 1 815 . 1 1 80 80 ALA CB C 13 20.483 . . . . . . A 80 ALA CB . 19510 1 816 . 1 1 80 80 ALA N N 15 121.135 . . . . . . A 80 ALA N . 19510 1 817 . 1 1 81 81 ASP H H 1 8.330 . . . . . . A 81 ASP H . 19510 1 818 . 1 1 81 81 ASP HA H 1 4.898 . . . . . . A 81 ASP HA . 19510 1 819 . 1 1 81 81 ASP HB2 H 1 2.976 . . . . . . A 81 ASP HB2 . 19510 1 820 . 1 1 81 81 ASP HB3 H 1 3.479 . . . . . . A 81 ASP HB3 . 19510 1 821 . 1 1 81 81 ASP CA C 13 50.397 . . . . . . A 81 ASP CA . 19510 1 822 . 1 1 81 81 ASP CB C 13 40.401 . . . . . . A 81 ASP CB . 19510 1 823 . 1 1 81 81 ASP N N 15 121.569 . . . . . . A 81 ASP N . 19510 1 824 . 1 1 82 82 GLU H H 1 8.923 . . . . . . A 82 GLU H . 19510 1 825 . 1 1 82 82 GLU HA H 1 4.185 . . . . . . A 82 GLU HA . 19510 1 826 . 1 1 82 82 GLU HB2 H 1 2.507 . . . . . . A 82 GLU HB2 . 19510 1 827 . 1 1 82 82 GLU HB3 H 1 2.396 . . . . . . A 82 GLU HB3 . 19510 1 828 . 1 1 82 82 GLU HG2 H 1 2.770 . . . . . . A 82 GLU HG2 . 19510 1 829 . 1 1 82 82 GLU HG3 H 1 2.447 . . . . . . A 82 GLU HG3 . 19510 1 830 . 1 1 82 82 GLU C C 13 177.350 . . . . . . A 82 GLU C . 19510 1 831 . 1 1 82 82 GLU CA C 13 59.676 . . . . . . A 82 GLU CA . 19510 1 832 . 1 1 82 82 GLU CB C 13 27.893 . . . . . . A 82 GLU CB . 19510 1 833 . 1 1 82 82 GLU CG C 13 35.224 . . . . . . A 82 GLU CG . 19510 1 834 . 1 1 82 82 GLU N N 15 119.843 . . . . . . A 82 GLU N . 19510 1 835 . 1 1 83 83 GLU H H 1 8.832 . . . . . . A 83 GLU H . 19510 1 836 . 1 1 83 83 GLU HA H 1 4.177 . . . . . . A 83 GLU HA . 19510 1 837 . 1 1 83 83 GLU HB2 H 1 2.184 . . . . . . A 83 GLU HB2 . 19510 1 838 . 1 1 83 83 GLU HB3 H 1 2.270 . . . . . . A 83 GLU HB3 . 19510 1 839 . 1 1 83 83 GLU HG2 H 1 2.238 . . . . . . A 83 GLU QG . 19510 1 840 . 1 1 83 83 GLU HG3 H 1 2.238 . . . . . . A 83 GLU QG . 19510 1 841 . 1 1 83 83 GLU C C 13 178.794 . . . . . . A 83 GLU C . 19510 1 842 . 1 1 83 83 GLU CA C 13 59.082 . . . . . . A 83 GLU CA . 19510 1 843 . 1 1 83 83 GLU CB C 13 28.879 . . . . . . A 83 GLU CB . 19510 1 844 . 1 1 83 83 GLU CG C 13 31.693 . . . . . . A 83 GLU CG . 19510 1 845 . 1 1 83 83 GLU N N 15 119.348 . . . . . . A 83 GLU N . 19510 1 846 . 1 1 84 84 THR H H 1 8.576 . . . . . . A 84 THR H . 19510 1 847 . 1 1 84 84 THR HA H 1 4.140 . . . . . . A 84 THR HA . 19510 1 848 . 1 1 84 84 THR HB H 1 4.692 . . . . . . A 84 THR HB . 19510 1 849 . 1 1 84 84 THR HG21 H 1 1.635 . . . . . . A 84 THR QG2 . 19510 1 850 . 1 1 84 84 THR HG22 H 1 1.635 . . . . . . A 84 THR QG2 . 19510 1 851 . 1 1 84 84 THR HG23 H 1 1.635 . . . . . . A 84 THR QG2 . 19510 1 852 . 1 1 84 84 THR C C 13 176.165 . . . . . . A 84 THR C . 19510 1 853 . 1 1 84 84 THR CA C 13 65.721 . . . . . . A 84 THR CA . 19510 1 854 . 1 1 84 84 THR CB C 13 66.751 . . . . . . A 84 THR CB . 19510 1 855 . 1 1 84 84 THR CG2 C 13 19.493 . . . . . . A 84 THR CG2 . 19510 1 856 . 1 1 84 84 THR N N 15 119.892 . . . . . . A 84 THR N . 19510 1 857 . 1 1 85 85 ILE H H 1 8.572 . . . . . . A 85 ILE H . 19510 1 858 . 1 1 85 85 ILE HA H 1 3.819 . . . . . . A 85 ILE HA . 19510 1 859 . 1 1 85 85 ILE HB H 1 2.255 . . . . . . A 85 ILE HB . 19510 1 860 . 1 1 85 85 ILE HG12 H 1 1.099 . . . . . . A 85 ILE HG12 . 19510 1 861 . 1 1 85 85 ILE HG13 H 1 2.281 . . . . . . A 85 ILE HG13 . 19510 1 862 . 1 1 85 85 ILE HG21 H 1 1.246 . . . . . . A 85 ILE QG2 . 19510 1 863 . 1 1 85 85 ILE HG22 H 1 1.246 . . . . . . A 85 ILE QG2 . 19510 1 864 . 1 1 85 85 ILE HG23 H 1 1.246 . . . . . . A 85 ILE QG2 . 19510 1 865 . 1 1 85 85 ILE HD11 H 1 0.835 . . . . . . A 85 ILE QD1 . 19510 1 866 . 1 1 85 85 ILE HD12 H 1 0.835 . . . . . . A 85 ILE QD1 . 19510 1 867 . 1 1 85 85 ILE HD13 H 1 0.835 . . . . . . A 85 ILE QD1 . 19510 1 868 . 1 1 85 85 ILE C C 13 174.809 . . . . . . A 85 ILE C . 19510 1 869 . 1 1 85 85 ILE CA C 13 64.891 . . . . . . A 85 ILE CA . 19510 1 870 . 1 1 85 85 ILE CB C 13 37.797 . . . . . . A 85 ILE CB . 19510 1 871 . 1 1 85 85 ILE CG1 C 13 28.391 . . . . . . A 85 ILE CG1 . 19510 1 872 . 1 1 85 85 ILE CG2 C 13 17.933 . . . . . . A 85 ILE CG2 . 19510 1 873 . 1 1 85 85 ILE CD1 C 13 12.639 . . . . . . A 85 ILE CD1 . 19510 1 874 . 1 1 85 85 ILE N N 15 123.655 . . . . . . A 85 ILE N . 19510 1 875 . 1 1 86 86 ARG H H 1 9.092 . . . . . . A 86 ARG H . 19510 1 876 . 1 1 86 86 ARG HA H 1 4.186 . . . . . . A 86 ARG HA . 19510 1 877 . 1 1 86 86 ARG HB2 H 1 1.720 . . . . . . A 86 ARG HB2 . 19510 1 878 . 1 1 86 86 ARG HB3 H 1 1.934 . . . . . . A 86 ARG HB3 . 19510 1 879 . 1 1 86 86 ARG HG2 H 1 1.966 . . . . . . A 86 ARG QG . 19510 1 880 . 1 1 86 86 ARG HG3 H 1 1.966 . . . . . . A 86 ARG QG . 19510 1 881 . 1 1 86 86 ARG HD2 H 1 3.093 . . . . . . A 86 ARG QD . 19510 1 882 . 1 1 86 86 ARG HD3 H 1 3.093 . . . . . . A 86 ARG QD . 19510 1 883 . 1 1 86 86 ARG CA C 13 58.766 . . . . . . A 86 ARG CA . 19510 1 884 . 1 1 86 86 ARG CB C 13 28.165 . . . . . . A 86 ARG CB . 19510 1 885 . 1 1 86 86 ARG CG C 13 27.286 . . . . . . A 86 ARG CG . 19510 1 886 . 1 1 86 86 ARG CD C 13 41.541 . . . . . . A 86 ARG CD . 19510 1 887 . 1 1 86 86 ARG N N 15 119.670 . . . . . . A 86 ARG N . 19510 1 888 . 1 1 87 87 ALA H H 1 8.242 . . . . . . A 87 ALA H . 19510 1 889 . 1 1 87 87 ALA HA H 1 4.307 . . . . . . A 87 ALA HA . 19510 1 890 . 1 1 87 87 ALA HB1 H 1 1.664 . . . . . . A 87 ALA QB . 19510 1 891 . 1 1 87 87 ALA HB2 H 1 1.664 . . . . . . A 87 ALA QB . 19510 1 892 . 1 1 87 87 ALA HB3 H 1 1.664 . . . . . . A 87 ALA QB . 19510 1 893 . 1 1 87 87 ALA CA C 13 53.558 . . . . . . A 87 ALA CA . 19510 1 894 . 1 1 87 87 ALA CB C 13 16.382 . . . . . . A 87 ALA CB . 19510 1 895 . 1 1 87 87 ALA N N 15 121.431 . . . . . . A 87 ALA N . 19510 1 896 . 1 1 88 88 LYS H H 1 8.182 . . . . . . A 88 LYS H . 19510 1 897 . 1 1 88 88 LYS HA H 1 4.011 . . . . . . A 88 LYS HA . 19510 1 898 . 1 1 88 88 LYS HB2 H 1 1.322 . . . . . . A 88 LYS HB2 . 19510 1 899 . 1 1 88 88 LYS HB3 H 1 1.398 . . . . . . A 88 LYS HB3 . 19510 1 900 . 1 1 88 88 LYS HG2 H 1 -0.426 . . . . . . A 88 LYS HG2 . 19510 1 901 . 1 1 88 88 LYS HG3 H 1 0.361 . . . . . . A 88 LYS HG3 . 19510 1 902 . 1 1 88 88 LYS HD2 H 1 1.134 . . . . . . A 88 LYS QD . 19510 1 903 . 1 1 88 88 LYS HD3 H 1 1.134 . . . . . . A 88 LYS QD . 19510 1 904 . 1 1 88 88 LYS CA C 13 55.172 . . . . . . A 88 LYS CA . 19510 1 905 . 1 1 88 88 LYS CB C 13 29.078 . . . . . . A 88 LYS CB . 19510 1 906 . 1 1 88 88 LYS CG C 13 20.680 . . . . . . A 88 LYS CG . 19510 1 907 . 1 1 88 88 LYS CD C 13 25.702 . . . . . . A 88 LYS CD . 19510 1 908 . 1 1 88 88 LYS N N 15 122.742 . . . . . . A 88 LYS N . 19510 1 909 . 1 1 89 89 MET H H 1 8.504 . . . . . . A 89 MET H . 19510 1 910 . 1 1 89 89 MET HA H 1 3.854 . . . . . . A 89 MET HA . 19510 1 911 . 1 1 89 89 MET HB2 H 1 2.439 . . . . . . A 89 MET HB2 . 19510 1 912 . 1 1 89 89 MET HB3 H 1 2.507 . . . . . . A 89 MET HB3 . 19510 1 913 . 1 1 89 89 MET HG2 H 1 3.159 . . . . . . A 89 MET QG . 19510 1 914 . 1 1 89 89 MET HG3 H 1 3.159 . . . . . . A 89 MET QG . 19510 1 915 . 1 1 89 89 MET HE1 H 1 2.330 . . . . . . A 89 MET QE . 19510 1 916 . 1 1 89 89 MET HE2 H 1 2.330 . . . . . . A 89 MET QE . 19510 1 917 . 1 1 89 89 MET HE3 H 1 2.330 . . . . . . A 89 MET QE . 19510 1 918 . 1 1 89 89 MET CA C 13 59.175 . . . . . . A 89 MET CA . 19510 1 919 . 1 1 89 89 MET CB C 13 31.697 . . . . . . A 89 MET CB . 19510 1 920 . 1 1 89 89 MET CG C 13 31.695 . . . . . . A 89 MET CG . 19510 1 921 . 1 1 89 89 MET CE C 13 14.946 . . . . . . A 89 MET CE . 19510 1 922 . 1 1 89 89 MET N N 15 118.686 . . . . . . A 89 MET N . 19510 1 923 . 1 1 90 90 VAL H H 1 7.573 . . . . . . A 90 VAL H . 19510 1 924 . 1 1 90 90 VAL HA H 1 3.853 . . . . . . A 90 VAL HA . 19510 1 925 . 1 1 90 90 VAL HB H 1 2.316 . . . . . . A 90 VAL HB . 19510 1 926 . 1 1 90 90 VAL HG11 H 1 1.240 . . . . . . A 90 VAL QG1 . 19510 1 927 . 1 1 90 90 VAL HG12 H 1 1.240 . . . . . . A 90 VAL QG1 . 19510 1 928 . 1 1 90 90 VAL HG13 H 1 1.240 . . . . . . A 90 VAL QG1 . 19510 1 929 . 1 1 90 90 VAL HG21 H 1 1.127 . . . . . . A 90 VAL QG2 . 19510 1 930 . 1 1 90 90 VAL HG22 H 1 1.127 . . . . . . A 90 VAL QG2 . 19510 1 931 . 1 1 90 90 VAL HG23 H 1 1.127 . . . . . . A 90 VAL QG2 . 19510 1 932 . 1 1 90 90 VAL C C 13 178.017 . . . . . . A 90 VAL C . 19510 1 933 . 1 1 90 90 VAL CA C 13 64.868 . . . . . . A 90 VAL CA . 19510 1 934 . 1 1 90 90 VAL CB C 13 31.054 . . . . . . A 90 VAL CB . 19510 1 935 . 1 1 90 90 VAL CG1 C 13 21.206 . . . . . . A 90 VAL CG1 . 19510 1 936 . 1 1 90 90 VAL CG2 C 13 19.906 . . . . . . A 90 VAL CG2 . 19510 1 937 . 1 1 90 90 VAL N N 15 120.987 . . . . . . A 90 VAL N . 19510 1 938 . 1 1 91 91 GLU H H 1 8.494 . . . . . . A 91 GLU H . 19510 1 939 . 1 1 91 91 GLU HA H 1 3.802 . . . . . . A 91 GLU HA . 19510 1 940 . 1 1 91 91 GLU HB2 H 1 2.221 . . . . . . A 91 GLU QB . 19510 1 941 . 1 1 91 91 GLU HB3 H 1 2.221 . . . . . . A 91 GLU QB . 19510 1 942 . 1 1 91 91 GLU C C 13 177.612 . . . . . . A 91 GLU C . 19510 1 943 . 1 1 91 91 GLU CA C 13 58.414 . . . . . . A 91 GLU CA . 19510 1 944 . 1 1 91 91 GLU CB C 13 30.606 . . . . . . A 91 GLU CB . 19510 1 945 . 1 1 91 91 GLU CG C 13 34.892 . . . . . . A 91 GLU CG . 19510 1 946 . 1 1 91 91 GLU N N 15 124.236 . . . . . . A 91 GLU N . 19510 1 947 . 1 1 92 92 LEU H H 1 8.833 . . . . . . A 92 LEU H . 19510 1 948 . 1 1 92 92 LEU HA H 1 4.336 . . . . . . A 92 LEU HA . 19510 1 949 . 1 1 92 92 LEU HB2 H 1 1.566 . . . . . . A 92 LEU HB2 . 19510 1 950 . 1 1 92 92 LEU HB3 H 1 1.854 . . . . . . A 92 LEU HB3 . 19510 1 951 . 1 1 92 92 LEU HG H 1 1.833 . . . . . . A 92 LEU HG . 19510 1 952 . 1 1 92 92 LEU HD11 H 1 0.800 . . . . . . A 92 LEU QD1 . 19510 1 953 . 1 1 92 92 LEU HD12 H 1 0.800 . . . . . . A 92 LEU QD1 . 19510 1 954 . 1 1 92 92 LEU HD13 H 1 0.800 . . . . . . A 92 LEU QD1 . 19510 1 955 . 1 1 92 92 LEU HD21 H 1 0.997 . . . . . . A 92 LEU QD2 . 19510 1 956 . 1 1 92 92 LEU HD22 H 1 0.997 . . . . . . A 92 LEU QD2 . 19510 1 957 . 1 1 92 92 LEU HD23 H 1 0.997 . . . . . . A 92 LEU QD2 . 19510 1 958 . 1 1 92 92 LEU C C 13 177.928 . . . . . . A 92 LEU C . 19510 1 959 . 1 1 92 92 LEU CA C 13 56.351 . . . . . . A 92 LEU CA . 19510 1 960 . 1 1 92 92 LEU CB C 13 39.780 . . . . . . A 92 LEU CB . 19510 1 961 . 1 1 92 92 LEU CG C 13 25.748 . . . . . . A 92 LEU CG . 19510 1 962 . 1 1 92 92 LEU CD1 C 13 23.816 . . . . . . A 92 LEU CD1 . 19510 1 963 . 1 1 92 92 LEU CD2 C 13 20.733 . . . . . . A 92 LEU CD2 . 19510 1 964 . 1 1 92 92 LEU N N 15 114.818 . . . . . . A 92 LEU N . 19510 1 965 . 1 1 93 93 ARG H H 1 7.746 . . . . . . A 93 ARG H . 19510 1 966 . 1 1 93 93 ARG HA H 1 3.997 . . . . . . A 93 ARG HA . 19510 1 967 . 1 1 93 93 ARG HB2 H 1 2.160 . . . . . . A 93 ARG QB . 19510 1 968 . 1 1 93 93 ARG HB3 H 1 2.160 . . . . . . A 93 ARG QB . 19510 1 969 . 1 1 93 93 ARG HD3 H 1 3.279 . . . . . . A 93 ARG HD3 . 19510 1 970 . 1 1 93 93 ARG C C 13 176.350 . . . . . . A 93 ARG C . 19510 1 971 . 1 1 93 93 ARG CA C 13 58.848 . . . . . . A 93 ARG CA . 19510 1 972 . 1 1 93 93 ARG CB C 13 28.592 . . . . . . A 93 ARG CB . 19510 1 973 . 1 1 93 93 ARG CG C 13 27.164 . . . . . . A 93 ARG CG . 19510 1 974 . 1 1 93 93 ARG CD C 13 41.984 . . . . . . A 93 ARG CD . 19510 1 975 . 1 1 93 93 ARG N N 15 123.398 . . . . . . A 93 ARG N . 19510 1 976 . 1 1 94 94 ALA H H 1 7.322 . . . . . . A 94 ALA H . 19510 1 977 . 1 1 94 94 ALA HA H 1 4.261 . . . . . . A 94 ALA HA . 19510 1 978 . 1 1 94 94 ALA HB1 H 1 1.732 . . . . . . A 94 ALA QB . 19510 1 979 . 1 1 94 94 ALA HB2 H 1 1.732 . . . . . . A 94 ALA QB . 19510 1 980 . 1 1 94 94 ALA HB3 H 1 1.732 . . . . . . A 94 ALA QB . 19510 1 981 . 1 1 94 94 ALA C C 13 179.805 . . . . . . A 94 ALA C . 19510 1 982 . 1 1 94 94 ALA CA C 13 54.529 . . . . . . A 94 ALA CA . 19510 1 983 . 1 1 94 94 ALA CB C 13 16.423 . . . . . . A 94 ALA CB . 19510 1 984 . 1 1 94 94 ALA N N 15 122.480 . . . . . . A 94 ALA N . 19510 1 985 . 1 1 95 95 THR H H 1 8.275 . . . . . . A 95 THR H . 19510 1 986 . 1 1 95 95 THR HA H 1 4.045 . . . . . . A 95 THR HA . 19510 1 987 . 1 1 95 95 THR HB H 1 4.149 . . . . . . A 95 THR HB . 19510 1 988 . 1 1 95 95 THR HG21 H 1 1.363 . . . . . . A 95 THR QG2 . 19510 1 989 . 1 1 95 95 THR HG22 H 1 1.363 . . . . . . A 95 THR QG2 . 19510 1 990 . 1 1 95 95 THR HG23 H 1 1.363 . . . . . . A 95 THR QG2 . 19510 1 991 . 1 1 95 95 THR C C 13 175.007 . . . . . . A 95 THR C . 19510 1 992 . 1 1 95 95 THR CA C 13 64.868 . . . . . . A 95 THR CA . 19510 1 993 . 1 1 95 95 THR CB C 13 67.633 . . . . . . A 95 THR CB . 19510 1 994 . 1 1 95 95 THR CG2 C 13 20.691 . . . . . . A 95 THR CG2 . 19510 1 995 . 1 1 95 95 THR N N 15 116.936 . . . . . . A 95 THR N . 19510 1 996 . 1 1 96 96 ALA H H 1 8.688 . . . . . . A 96 ALA H . 19510 1 997 . 1 1 96 96 ALA HA H 1 3.904 . . . . . . A 96 ALA HA . 19510 1 998 . 1 1 96 96 ALA HB1 H 1 1.676 . . . . . . A 96 ALA QB . 19510 1 999 . 1 1 96 96 ALA HB2 H 1 1.676 . . . . . . A 96 ALA QB . 19510 1 1000 . 1 1 96 96 ALA HB3 H 1 1.676 . . . . . . A 96 ALA QB . 19510 1 1001 . 1 1 96 96 ALA C C 13 178.184 . . . . . . A 96 ALA C . 19510 1 1002 . 1 1 96 96 ALA CA C 13 54.098 . . . . . . A 96 ALA CA . 19510 1 1003 . 1 1 96 96 ALA CB C 13 18.118 . . . . . . A 96 ALA CB . 19510 1 1004 . 1 1 96 96 ALA N N 15 123.969 . . . . . . A 96 ALA N . 19510 1 1005 . 1 1 97 97 ARG H H 1 8.073 . . . . . . A 97 ARG H . 19510 1 1006 . 1 1 97 97 ARG HA H 1 3.857 . . . . . . A 97 ARG HA . 19510 1 1007 . 1 1 97 97 ARG HB2 H 1 2.013 . . . . . . A 97 ARG HB2 . 19510 1 1008 . 1 1 97 97 ARG HB3 H 1 1.938 . . . . . . A 97 ARG HB3 . 19510 1 1009 . 1 1 97 97 ARG HG2 H 1 1.754 . . . . . . A 97 ARG HG2 . 19510 1 1010 . 1 1 97 97 ARG C C 13 176.770 . . . . . . A 97 ARG C . 19510 1 1011 . 1 1 97 97 ARG CA C 13 58.669 . . . . . . A 97 ARG CA . 19510 1 1012 . 1 1 97 97 ARG CB C 13 28.932 . . . . . . A 97 ARG CB . 19510 1 1013 . 1 1 97 97 ARG CG C 13 27.069 . . . . . . A 97 ARG CG . 19510 1 1014 . 1 1 97 97 ARG N N 15 117.393 . . . . . . A 97 ARG N . 19510 1 1015 . 1 1 98 98 GLU H H 1 7.896 . . . . . . A 98 GLU H . 19510 1 1016 . 1 1 98 98 GLU HA H 1 4.180 . . . . . . A 98 GLU HA . 19510 1 1017 . 1 1 98 98 GLU HB2 H 1 2.337 . . . . . . A 98 GLU HB2 . 19510 1 1018 . 1 1 98 98 GLU HB3 H 1 2.389 . . . . . . A 98 GLU HB3 . 19510 1 1019 . 1 1 98 98 GLU HG2 H 1 2.617 . . . . . . A 98 GLU HG2 . 19510 1 1020 . 1 1 98 98 GLU HG3 H 1 2.554 . . . . . . A 98 GLU HG3 . 19510 1 1021 . 1 1 98 98 GLU C C 13 178.865 . . . . . . A 98 GLU C . 19510 1 1022 . 1 1 98 98 GLU CA C 13 57.867 . . . . . . A 98 GLU CA . 19510 1 1023 . 1 1 98 98 GLU CB C 13 27.704 . . . . . . A 98 GLU CB . 19510 1 1024 . 1 1 98 98 GLU CG C 13 34.262 . . . . . . A 98 GLU CG . 19510 1 1025 . 1 1 98 98 GLU N N 15 118.029 . . . . . . A 98 GLU N . 19510 1 1026 . 1 1 99 99 GLN H H 1 8.320 . . . . . . A 99 GLN H . 19510 1 1027 . 1 1 99 99 GLN HA H 1 4.185 . . . . . . A 99 GLN HA . 19510 1 1028 . 1 1 99 99 GLN HB2 H 1 2.318 . . . . . . A 99 GLN HB2 . 19510 1 1029 . 1 1 99 99 GLN HG2 H 1 2.580 . . . . . . A 99 GLN HG2 . 19510 1 1030 . 1 1 99 99 GLN HG3 H 1 3.009 . . . . . . A 99 GLN HG3 . 19510 1 1031 . 1 1 99 99 GLN HE21 H 1 6.556 . . . . . . A 99 GLN HE21 . 19510 1 1032 . 1 1 99 99 GLN HE22 H 1 7.598 . . . . . . A 99 GLN HE22 . 19510 1 1033 . 1 1 99 99 GLN C C 13 178.146 . . . . . . A 99 GLN C . 19510 1 1034 . 1 1 99 99 GLN CA C 13 57.748 . . . . . . A 99 GLN CA . 19510 1 1035 . 1 1 99 99 GLN CB C 13 27.529 . . . . . . A 99 GLN CB . 19510 1 1036 . 1 1 99 99 GLN CG C 13 32.220 . . . . . . A 99 GLN CG . 19510 1 1037 . 1 1 99 99 GLN N N 15 119.735 . . . . . . A 99 GLN N . 19510 1 1038 . 1 1 99 99 GLN NE2 N 15 109.480 . . . . . . A 99 GLN NE2 . 19510 1 1039 . 1 1 100 100 ILE H H 1 8.398 . . . . . . A 100 ILE H . 19510 1 1040 . 1 1 100 100 ILE HA H 1 3.993 . . . . . . A 100 ILE HA . 19510 1 1041 . 1 1 100 100 ILE HB H 1 2.343 . . . . . . A 100 ILE HB . 19510 1 1042 . 1 1 100 100 ILE HG13 H 1 1.362 . . . . . . A 100 ILE HG13 . 19510 1 1043 . 1 1 100 100 ILE HG21 H 1 1.189 . . . . . . A 100 ILE QG2 . 19510 1 1044 . 1 1 100 100 ILE HG22 H 1 1.189 . . . . . . A 100 ILE QG2 . 19510 1 1045 . 1 1 100 100 ILE HG23 H 1 1.189 . . . . . . A 100 ILE QG2 . 19510 1 1046 . 1 1 100 100 ILE HD11 H 1 0.920 . . . . . . A 100 ILE QD1 . 19510 1 1047 . 1 1 100 100 ILE HD12 H 1 0.920 . . . . . . A 100 ILE QD1 . 19510 1 1048 . 1 1 100 100 ILE HD13 H 1 0.920 . . . . . . A 100 ILE QD1 . 19510 1 1049 . 1 1 100 100 ILE C C 13 178.315 . . . . . . A 100 ILE C . 19510 1 1050 . 1 1 100 100 ILE CA C 13 60.935 . . . . . . A 100 ILE CA . 19510 1 1051 . 1 1 100 100 ILE CB C 13 34.935 . . . . . . A 100 ILE CB . 19510 1 1052 . 1 1 100 100 ILE CG1 C 13 26.929 . . . . . . A 100 ILE CG1 . 19510 1 1053 . 1 1 100 100 ILE CG2 C 13 17.766 . . . . . . A 100 ILE CG2 . 19510 1 1054 . 1 1 100 100 ILE CD1 C 13 9.438 . . . . . . A 100 ILE CD1 . 19510 1 1055 . 1 1 100 100 ILE N N 15 119.676 . . . . . . A 100 ILE N . 19510 1 1056 . 1 1 101 101 ILE H H 1 8.350 . . . . . . A 101 ILE H . 19510 1 1057 . 1 1 101 101 ILE HA H 1 4.027 . . . . . . A 101 ILE HA . 19510 1 1058 . 1 1 101 101 ILE HB H 1 2.123 . . . . . . A 101 ILE HB . 19510 1 1059 . 1 1 101 101 ILE HG12 H 1 1.733 . . . . . . A 101 ILE HG12 . 19510 1 1060 . 1 1 101 101 ILE HG13 H 1 1.447 . . . . . . A 101 ILE HG13 . 19510 1 1061 . 1 1 101 101 ILE HG21 H 1 1.033 . . . . . . A 101 ILE QG2 . 19510 1 1062 . 1 1 101 101 ILE HG22 H 1 1.033 . . . . . . A 101 ILE QG2 . 19510 1 1063 . 1 1 101 101 ILE HG23 H 1 1.033 . . . . . . A 101 ILE QG2 . 19510 1 1064 . 1 1 101 101 ILE HD11 H 1 0.890 . . . . . . A 101 ILE QD1 . 19510 1 1065 . 1 1 101 101 ILE HD12 H 1 0.890 . . . . . . A 101 ILE QD1 . 19510 1 1066 . 1 1 101 101 ILE HD13 H 1 0.890 . . . . . . A 101 ILE QD1 . 19510 1 1067 . 1 1 101 101 ILE C C 13 177.006 . . . . . . A 101 ILE C . 19510 1 1068 . 1 1 101 101 ILE CA C 13 62.382 . . . . . . A 101 ILE CA . 19510 1 1069 . 1 1 101 101 ILE CB C 13 36.195 . . . . . . A 101 ILE CB . 19510 1 1070 . 1 1 101 101 ILE CG1 C 13 27.609 . . . . . . A 101 ILE CG1 . 19510 1 1071 . 1 1 101 101 ILE CG2 C 13 16.183 . . . . . . A 101 ILE CG2 . 19510 1 1072 . 1 1 101 101 ILE CD1 C 13 11.521 . . . . . . A 101 ILE CD1 . 19510 1 1073 . 1 1 101 101 ILE N N 15 120.600 . . . . . . A 101 ILE N . 19510 1 1074 . 1 1 102 102 SER H H 1 7.896 . . . . . . A 102 SER H . 19510 1 1075 . 1 1 102 102 SER HA H 1 4.589 . . . . . . A 102 SER HA . 19510 1 1076 . 1 1 102 102 SER HB2 H 1 4.253 . . . . . . A 102 SER HB2 . 19510 1 1077 . 1 1 102 102 SER HB3 H 1 4.186 . . . . . . A 102 SER HB3 . 19510 1 1078 . 1 1 102 102 SER C C 13 173.845 . . . . . . A 102 SER C . 19510 1 1079 . 1 1 102 102 SER CA C 13 58.735 . . . . . . A 102 SER CA . 19510 1 1080 . 1 1 102 102 SER CB C 13 62.254 . . . . . . A 102 SER CB . 19510 1 1081 . 1 1 102 102 SER N N 15 116.172 . . . . . . A 102 SER N . 19510 1 1082 . 1 1 103 103 GLU H H 1 7.780 . . . . . . A 103 GLU H . 19510 1 1083 . 1 1 103 103 GLU HA H 1 4.473 . . . . . . A 103 GLU HA . 19510 1 1084 . 1 1 103 103 GLU HB2 H 1 2.357 . . . . . . A 103 GLU HB2 . 19510 1 1085 . 1 1 103 103 GLU HB3 H 1 2.171 . . . . . . A 103 GLU HB3 . 19510 1 1086 . 1 1 103 103 GLU HG2 H 1 2.463 . . . . . . A 103 GLU HG2 . 19510 1 1087 . 1 1 103 103 GLU HG3 H 1 2.712 . . . . . . A 103 GLU HG3 . 19510 1 1088 . 1 1 103 103 GLU C C 13 175.095 . . . . . . A 103 GLU C . 19510 1 1089 . 1 1 103 103 GLU CA C 13 55.006 . . . . . . A 103 GLU CA . 19510 1 1090 . 1 1 103 103 GLU CB C 13 28.770 . . . . . . A 103 GLU CB . 19510 1 1091 . 1 1 103 103 GLU CG C 13 34.702 . . . . . . A 103 GLU CG . 19510 1 1092 . 1 1 103 103 GLU N N 15 122.642 . . . . . . A 103 GLU N . 19510 1 1093 . 1 1 104 104 ILE H H 1 7.508 . . . . . . A 104 ILE H . 19510 1 1094 . 1 1 104 104 ILE HA H 1 4.119 . . . . . . A 104 ILE HA . 19510 1 1095 . 1 1 104 104 ILE HB H 1 2.009 . . . . . . A 104 ILE HB . 19510 1 1096 . 1 1 104 104 ILE HG13 H 1 1.812 . . . . . . A 104 ILE HG13 . 19510 1 1097 . 1 1 104 104 ILE HG21 H 1 1.082 . . . . . . A 104 ILE QG2 . 19510 1 1098 . 1 1 104 104 ILE HG22 H 1 1.082 . . . . . . A 104 ILE QG2 . 19510 1 1099 . 1 1 104 104 ILE HG23 H 1 1.082 . . . . . . A 104 ILE QG2 . 19510 1 1100 . 1 1 104 104 ILE HD11 H 1 1.031 . . . . . . A 104 ILE QD1 . 19510 1 1101 . 1 1 104 104 ILE HD12 H 1 1.031 . . . . . . A 104 ILE QD1 . 19510 1 1102 . 1 1 104 104 ILE HD13 H 1 1.031 . . . . . . A 104 ILE QD1 . 19510 1 1103 . 1 1 104 104 ILE CA C 13 62.594 . . . . . . A 104 ILE CA . 19510 1 1104 . 1 1 104 104 ILE CB C 13 37.695 . . . . . . A 104 ILE CB . 19510 1 1105 . 1 1 104 104 ILE CG1 C 13 26.009 . . . . . . A 104 ILE CG1 . 19510 1 1106 . 1 1 104 104 ILE CG2 C 13 16.370 . . . . . . A 104 ILE CG2 . 19510 1 1107 . 1 1 104 104 ILE CD1 C 13 12.850 . . . . . . A 104 ILE CD1 . 19510 1 1108 . 1 1 104 104 ILE N N 15 125.992 . . . . . . A 104 ILE N . 19510 1 stop_ save_