data_17592 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17592 _Entry.Title ; Backbone assignments of Anabaena Sensory Rhodopsin Transducer with DNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-13 _Entry.Accession_date 2011-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shenlin Wang . . . 17592 2 'So Young' Kim . . . 17592 3 Kwang-Hwan Jung . . . 17592 4 Vladimir Ladizhansky . . . 17592 5 Leonid Brown . S. . 17592 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17592 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 306 17592 '15N chemical shifts' 93 17592 '1H chemical shifts' 93 17592 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 2 . . 2012-03-08 2011-04-13 update BMRB 'update entry citation' 17592 1 . . 2011-06-22 2011-04-13 original author 'original release' 17592 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17590 'Backbone assignments of Anabaena Sensory Rhodopsin Transducer with D-tails' 17592 BMRB 17591 'Backbone assignments of Anabaena Sensory Rhodopsin Transducer with F-tails' 17592 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17592 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21683709 _Citation.Full_citation . _Citation.Title 'A eukaryotic-like interaction of soluble cyanobacterial sensory rhodopsin transducer with DNA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 411 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 449 _Citation.Page_last 462 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shenlin Wang . . . 17592 1 2 'So Young' Kim . . . 17592 1 3 Kwang-Hwan Jung . . . 17592 1 4 Vladimir Ladizhansky . . . 17592 1 5 Leonid Brown . S. . 17592 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA binding' 17592 1 'NMR spectroscopy' 17592 1 'photosensory transduction' 17592 1 'secondary structure' 17592 1 'transcription factors' 17592 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17592 _Assembly.ID 1 _Assembly.Name 'Anabaena Sensory Rhodopsin Transducer with DNA' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Anabaena sensory rhodopsin transducer' _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 'Anabaena Sensory Rhodopsin Transducer' 1 $ASRT A . yes native yes no . . . 17592 1 2 DNA 2 $DNA B . no native yes no . . . 17592 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ASRT _Entity.Sf_category entity _Entity.Sf_framecode ASRT _Entity.Entry_ID 17592 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ASRT _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SLSIGRTCWAIAEGYIPPYG NGPEPQFISHETVCILNAGD EDAHVEITIYYSDKEPVGPY RLTVPARRTKHVRFNDLNDP APIPHDTDFASVIQSNVPIV VQHTRLDSRQAENALLSTIA YANT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1,S _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'ASRT is a tetramer in solution.' _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 17590 . ASRT . . . . . 100.00 124 100.00 100.00 3.05e-85 . . . . 17592 1 2 no BMRB 17591 . "Anabaena Sensory Rhodopsin Transducer with F-tails" . . . . . 100.00 124 100.00 100.00 3.05e-85 . . . . 17592 1 3 no PDB 2II7 . "Anabaena Sensory Rhodopsin Transducer" . . . . . 100.00 131 100.00 100.00 3.59e-85 . . . . 17592 1 4 no PDB 2II8 . "Anabaena Sensory Rhodopsin Transducer" . . . . . 100.00 131 100.00 100.00 3.59e-85 . . . . 17592 1 5 no PDB 2II9 . "Anabaena Sensory Rhodopsin Transducer" . . . . . 100.00 131 100.00 100.00 3.59e-85 . . . . 17592 1 6 no PDB 2IIA . "Anabaena Sensory Rhodopsin Transducer" . . . . . 100.00 131 100.00 100.00 3.59e-85 . . . . 17592 1 7 no DBJ BAB74865 . "alr3166 [Nostoc sp. PCC 7120]" . . . . . 100.00 125 100.00 100.00 2.06e-85 . . . . 17592 1 8 no GB ABA23469 . "Protein of unknown function DUF1362 [Anabaena variabilis ATCC 29413]" . . . . . 100.00 125 98.39 98.39 1.15e-83 . . . . 17592 1 9 no REF WP_010997317 . "hypothetical protein [Nostoc sp. PCC 7120]" . . . . . 100.00 125 100.00 100.00 2.06e-85 . . . . 17592 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 . SER . 17592 1 2 . LEU . 17592 1 3 . SER . 17592 1 4 . ILE . 17592 1 5 . GLY . 17592 1 6 . ARG . 17592 1 7 . THR . 17592 1 8 . CYS . 17592 1 9 . TRP . 17592 1 10 . ALA . 17592 1 11 . ILE . 17592 1 12 . ALA . 17592 1 13 . GLU . 17592 1 14 . GLY . 17592 1 15 . TYR . 17592 1 16 . ILE . 17592 1 17 . PRO . 17592 1 18 . PRO . 17592 1 19 . TYR . 17592 1 20 . GLY . 17592 1 21 . ASN . 17592 1 22 . GLY . 17592 1 23 . PRO . 17592 1 24 . GLU . 17592 1 25 . PRO . 17592 1 26 . GLN . 17592 1 27 . PHE . 17592 1 28 . ILE . 17592 1 29 . SER . 17592 1 30 . HIS . 17592 1 31 . GLU . 17592 1 32 . THR . 17592 1 33 . VAL . 17592 1 34 . CYS . 17592 1 35 . ILE . 17592 1 36 . LEU . 17592 1 37 . ASN . 17592 1 38 . ALA . 17592 1 39 . GLY . 17592 1 40 . ASP . 17592 1 41 . GLU . 17592 1 42 . ASP . 17592 1 43 . ALA . 17592 1 44 . HIS . 17592 1 45 . VAL . 17592 1 46 . GLU . 17592 1 47 . ILE . 17592 1 48 . THR . 17592 1 49 . ILE . 17592 1 50 . TYR . 17592 1 51 . TYR . 17592 1 52 . SER . 17592 1 53 . ASP . 17592 1 54 . LYS . 17592 1 55 . GLU . 17592 1 56 . PRO . 17592 1 57 . VAL . 17592 1 58 . GLY . 17592 1 59 . PRO . 17592 1 60 . TYR . 17592 1 61 . ARG . 17592 1 62 . LEU . 17592 1 63 . THR . 17592 1 64 . VAL . 17592 1 65 . PRO . 17592 1 66 . ALA . 17592 1 67 . ARG . 17592 1 68 . ARG . 17592 1 69 . THR . 17592 1 70 . LYS . 17592 1 71 . HIS . 17592 1 72 . VAL . 17592 1 73 . ARG . 17592 1 74 . PHE . 17592 1 75 . ASN . 17592 1 76 . ASP . 17592 1 77 . LEU . 17592 1 78 . ASN . 17592 1 79 . ASP . 17592 1 80 . PRO . 17592 1 81 . ALA . 17592 1 82 . PRO . 17592 1 83 . ILE . 17592 1 84 . PRO . 17592 1 85 . HIS . 17592 1 86 . ASP . 17592 1 87 . THR . 17592 1 88 . ASP . 17592 1 89 . PHE . 17592 1 90 . ALA . 17592 1 91 . SER . 17592 1 92 . VAL . 17592 1 93 . ILE . 17592 1 94 . GLN . 17592 1 95 . SER . 17592 1 96 . ASN . 17592 1 97 . VAL . 17592 1 98 . PRO . 17592 1 99 . ILE . 17592 1 100 . VAL . 17592 1 101 . VAL . 17592 1 102 . GLN . 17592 1 103 . HIS . 17592 1 104 . THR . 17592 1 105 . ARG . 17592 1 106 . LEU . 17592 1 107 . ASP . 17592 1 108 . SER . 17592 1 109 . ARG . 17592 1 110 . GLN . 17592 1 111 . ALA . 17592 1 112 . GLU . 17592 1 113 . ASN . 17592 1 114 . ALA . 17592 1 115 . LEU . 17592 1 116 . LEU . 17592 1 117 . SER . 17592 1 118 . THR . 17592 1 119 . ILE . 17592 1 120 . ALA . 17592 1 121 . TYR . 17592 1 122 . ALA . 17592 1 123 . ASN . 17592 1 124 . THR . 17592 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 . SER 1 1 17592 1 . LEU 2 2 17592 1 . SER 3 3 17592 1 . ILE 4 4 17592 1 . GLY 5 5 17592 1 . ARG 6 6 17592 1 . THR 7 7 17592 1 . CYS 8 8 17592 1 . TRP 9 9 17592 1 . ALA 10 10 17592 1 . ILE 11 11 17592 1 . ALA 12 12 17592 1 . GLU 13 13 17592 1 . GLY 14 14 17592 1 . TYR 15 15 17592 1 . ILE 16 16 17592 1 . PRO 17 17 17592 1 . PRO 18 18 17592 1 . TYR 19 19 17592 1 . GLY 20 20 17592 1 . ASN 21 21 17592 1 . GLY 22 22 17592 1 . PRO 23 23 17592 1 . GLU 24 24 17592 1 . PRO 25 25 17592 1 . GLN 26 26 17592 1 . PHE 27 27 17592 1 . ILE 28 28 17592 1 . SER 29 29 17592 1 . HIS 30 30 17592 1 . GLU 31 31 17592 1 . THR 32 32 17592 1 . VAL 33 33 17592 1 . CYS 34 34 17592 1 . ILE 35 35 17592 1 . LEU 36 36 17592 1 . ASN 37 37 17592 1 . ALA 38 38 17592 1 . GLY 39 39 17592 1 . ASP 40 40 17592 1 . GLU 41 41 17592 1 . ASP 42 42 17592 1 . ALA 43 43 17592 1 . HIS 44 44 17592 1 . VAL 45 45 17592 1 . GLU 46 46 17592 1 . ILE 47 47 17592 1 . THR 48 48 17592 1 . ILE 49 49 17592 1 . TYR 50 50 17592 1 . TYR 51 51 17592 1 . SER 52 52 17592 1 . ASP 53 53 17592 1 . LYS 54 54 17592 1 . GLU 55 55 17592 1 . PRO 56 56 17592 1 . VAL 57 57 17592 1 . GLY 58 58 17592 1 . PRO 59 59 17592 1 . TYR 60 60 17592 1 . ARG 61 61 17592 1 . LEU 62 62 17592 1 . THR 63 63 17592 1 . VAL 64 64 17592 1 . PRO 65 65 17592 1 . ALA 66 66 17592 1 . ARG 67 67 17592 1 . ARG 68 68 17592 1 . THR 69 69 17592 1 . LYS 70 70 17592 1 . HIS 71 71 17592 1 . VAL 72 72 17592 1 . ARG 73 73 17592 1 . PHE 74 74 17592 1 . ASN 75 75 17592 1 . ASP 76 76 17592 1 . LEU 77 77 17592 1 . ASN 78 78 17592 1 . ASP 79 79 17592 1 . PRO 80 80 17592 1 . ALA 81 81 17592 1 . PRO 82 82 17592 1 . ILE 83 83 17592 1 . PRO 84 84 17592 1 . HIS 85 85 17592 1 . ASP 86 86 17592 1 . THR 87 87 17592 1 . ASP 88 88 17592 1 . PHE 89 89 17592 1 . ALA 90 90 17592 1 . SER 91 91 17592 1 . VAL 92 92 17592 1 . ILE 93 93 17592 1 . GLN 94 94 17592 1 . SER 95 95 17592 1 . ASN 96 96 17592 1 . VAL 97 97 17592 1 . PRO 98 98 17592 1 . ILE 99 99 17592 1 . VAL 100 100 17592 1 . VAL 101 101 17592 1 . GLN 102 102 17592 1 . HIS 103 103 17592 1 . THR 104 104 17592 1 . ARG 105 105 17592 1 . LEU 106 106 17592 1 . ASP 107 107 17592 1 . SER 108 108 17592 1 . ARG 109 109 17592 1 . GLN 110 110 17592 1 . ALA 111 111 17592 1 . GLU 112 112 17592 1 . ASN 113 113 17592 1 . ALA 114 114 17592 1 . LEU 115 115 17592 1 . LEU 116 116 17592 1 . SER 117 117 17592 1 . THR 118 118 17592 1 . ILE 119 119 17592 1 . ALA 120 120 17592 1 . TYR 121 121 17592 1 . ALA 122 122 17592 1 . ASN 123 123 17592 1 . THR 124 124 17592 1 stop_ save_ save_DNA _Entity.Sf_category entity _Entity.Sf_framecode DNA _Entity.Entry_ID 17592 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ATGACCTTTAGGAGGAAAGA ; _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 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Double strand DNA with sequence 5 -ATGACCTTTAGGAGGAAAGA-3 and its complementary single-stranded DNA' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . DA . 17592 2 2 . DT . 17592 2 3 . DG . 17592 2 4 . DA . 17592 2 5 . DC . 17592 2 6 . DC . 17592 2 7 . DT . 17592 2 8 . DT . 17592 2 9 . DT . 17592 2 10 . DA . 17592 2 11 . DG . 17592 2 12 . DG . 17592 2 13 . DA . 17592 2 14 . DG . 17592 2 15 . DG . 17592 2 16 . DA . 17592 2 17 . DA . 17592 2 18 . DA . 17592 2 19 . DG . 17592 2 20 . DA . 17592 2 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 . DA 1 1 17592 2 . DT 2 2 17592 2 . DG 3 3 17592 2 . DA 4 4 17592 2 . DC 5 5 17592 2 . DC 6 6 17592 2 . DT 7 7 17592 2 . DT 8 8 17592 2 . DT 9 9 17592 2 . DA 10 10 17592 2 . DG 11 11 17592 2 . DG 12 12 17592 2 . DA 13 13 17592 2 . DG 14 14 17592 2 . DG 15 15 17592 2 . DA 16 16 17592 2 . DA 17 17 17592 2 . DA 18 18 17592 2 . DG 19 19 17592 2 . DA 20 20 17592 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 17592 _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 $ASRT . 1172 organism . 'Anabaena variabilis' 'Anabaena variabilis' . . Bacteria . Anabaena variabilis 'PCC 7120' . . . . . . . . . . . . . . . . . . . . 17592 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 17592 _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 $ASRT . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . 'Codon Plus' . . . . . . 17592 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17592 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ASRT '[U-100% 13C; U-100% 15N; U-50% 2H]' . . 1 $ASRT . . 1 . . mM . . . . 17592 1 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 17592 1 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 17592 1 4 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 17592 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 17592 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17592 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ASRT '[U-100% 15N]' . . 1 $ASRT . . 1 . . mM . . . . 17592 2 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 17592 2 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 17592 2 4 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 17592 2 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 17592 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17592 _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' 50 . mM 17592 1 pH 7.2 . pH 17592 1 pressure 1 . atm 17592 1 temperature 308 . K 17592 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17592 _Sample_condition_list.ID 2 _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' 50 . mM 17592 2 pH 7.2 . pH 17592 2 pressure 1 . atm 17592 2 temperature 298 . K 17592 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17592 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17592 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17592 1 processing 17592 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17592 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17592 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17592 2 'data analysis' 17592 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17592 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17592 _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 . . . 17592 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 17592 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17592 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17592 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17592 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17592 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17592 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17592 1 7 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17592 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17592 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 17592 _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 . indirect 0.251449530 . . . . . . . . . 17592 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17592 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17592 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 17592 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCO' . . . 17592 1 3 '3D HNCA' . . . 17592 1 4 '3D HNCACB' . . . 17592 1 5 '3D HN(CO)CA' . . . 17592 1 7 '3D HN(CO)CACB' . . . 17592 1 8 '3D HN(CA)CO' . . . 17592 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER C C 13 174.100 0.3 . 1 . . . . 1 SER C . 17592 1 2 . 1 1 1 1 SER CA C 13 58.200 0.3 . 1 . . . . 1 SER CA . 17592 1 3 . 1 1 1 1 SER CB C 13 63.100 0.3 . 1 . . . . 1 SER CB . 17592 1 4 . 1 1 2 2 LEU H H 1 8.470 0.02 . 1 . . . . 2 LEU H . 17592 1 5 . 1 1 2 2 LEU C C 13 176.600 0.3 . 1 . . . . 2 LEU C . 17592 1 6 . 1 1 2 2 LEU CA C 13 54.800 0.3 . 1 . . . . 2 LEU CA . 17592 1 7 . 1 1 2 2 LEU CB C 13 42.200 0.3 . 1 . . . . 2 LEU CB . 17592 1 8 . 1 1 2 2 LEU N N 15 125.000 0.3 . 1 . . . . 2 LEU N . 17592 1 9 . 1 1 3 3 SER H H 1 8.400 0.02 . 1 . . . . 3 SER H . 17592 1 10 . 1 1 3 3 SER C C 13 173.600 0.3 . 1 . . . . 3 SER C . 17592 1 11 . 1 1 3 3 SER CA C 13 56.500 0.3 . 1 . . . . 3 SER CA . 17592 1 12 . 1 1 3 3 SER CB C 13 62.900 0.3 . 1 . . . . 3 SER CB . 17592 1 13 . 1 1 3 3 SER N N 15 118.700 0.3 . 1 . . . . 3 SER N . 17592 1 14 . 1 1 4 4 ILE H H 1 8.910 0.02 . 1 . . . . 4 ILE H . 17592 1 15 . 1 1 4 4 ILE C C 13 174.100 0.3 . 1 . . . . 4 ILE C . 17592 1 16 . 1 1 4 4 ILE CA C 13 60.300 0.3 . 1 . . . . 4 ILE CA . 17592 1 17 . 1 1 4 4 ILE CB C 13 38.700 0.3 . 1 . . . . 4 ILE CB . 17592 1 18 . 1 1 4 4 ILE N N 15 125.800 0.3 . 1 . . . . 4 ILE N . 17592 1 19 . 1 1 5 5 GLY H H 1 8.260 0.02 . 1 . . . . 5 GLY H . 17592 1 20 . 1 1 5 5 GLY C C 13 174.300 0.3 . 1 . . . . 5 GLY C . 17592 1 21 . 1 1 5 5 GLY CA C 13 42.900 0.3 . 1 . . . . 5 GLY CA . 17592 1 22 . 1 1 5 5 GLY N N 15 111.100 0.3 . 1 . . . . 5 GLY N . 17592 1 23 . 1 1 6 6 ARG H H 1 8.970 0.02 . 1 . . . . 6 ARG H . 17592 1 24 . 1 1 6 6 ARG C C 13 178.200 0.3 . 1 . . . . 6 ARG C . 17592 1 25 . 1 1 6 6 ARG CA C 13 52.900 0.3 . 1 . . . . 6 ARG CA . 17592 1 26 . 1 1 6 6 ARG CB C 13 33.200 0.3 . 1 . . . . 6 ARG CB . 17592 1 27 . 1 1 6 6 ARG N N 15 116.700 0.3 . 1 . . . . 6 ARG N . 17592 1 28 . 1 1 7 7 THR C C 13 173.900 0.3 . 1 . . . . 7 THR C . 17592 1 29 . 1 1 7 7 THR CA C 13 62.500 0.3 . 1 . . . . 7 THR CA . 17592 1 30 . 1 1 7 7 THR CB C 13 68.700 0.3 . 1 . . . . 7 THR CB . 17592 1 31 . 1 1 8 8 CYS H H 1 7.520 0.02 . 1 . . . . 8 CYS H . 17592 1 32 . 1 1 8 8 CYS C C 13 171.900 0.3 . 1 . . . . 8 CYS C . 17592 1 33 . 1 1 8 8 CYS CA C 13 58.300 0.3 . 1 . . . . 8 CYS CA . 17592 1 34 . 1 1 8 8 CYS CB C 13 27.000 0.3 . 1 . . . . 8 CYS CB . 17592 1 35 . 1 1 8 8 CYS N N 15 122.300 0.3 . 1 . . . . 8 CYS N . 17592 1 36 . 1 1 9 9 TRP H H 1 9.650 0.02 . 1 . . . . 9 TRP H . 17592 1 37 . 1 1 9 9 TRP C C 13 175.000 0.3 . 1 . . . . 9 TRP C . 17592 1 38 . 1 1 9 9 TRP CA C 13 54.600 0.3 . 1 . . . . 9 TRP CA . 17592 1 39 . 1 1 9 9 TRP CB C 13 33.300 0.3 . 1 . . . . 9 TRP CB . 17592 1 40 . 1 1 9 9 TRP N N 15 129.700 0.3 . 1 . . . . 9 TRP N . 17592 1 41 . 1 1 10 10 ALA H H 1 9.940 0.02 . 1 . . . . 10 ALA H . 17592 1 42 . 1 1 10 10 ALA C C 13 175.000 0.3 . 1 . . . . 10 ALA C . 17592 1 43 . 1 1 10 10 ALA CA C 13 51.000 0.3 . 1 . . . . 10 ALA CA . 17592 1 44 . 1 1 10 10 ALA CB C 13 23.600 0.3 . 1 . . . . 10 ALA CB . 17592 1 45 . 1 1 10 10 ALA N N 15 121.200 0.3 . 1 . . . . 10 ALA N . 17592 1 46 . 1 1 11 11 ILE H H 1 9.090 0.02 . 1 . . . . 11 ILE H . 17592 1 47 . 1 1 11 11 ILE C C 13 174.700 0.3 . 1 . . . . 11 ILE C . 17592 1 48 . 1 1 11 11 ILE CA C 13 61.700 0.3 . 1 . . . . 11 ILE CA . 17592 1 49 . 1 1 11 11 ILE CB C 13 39.400 0.3 . 1 . . . . 11 ILE CB . 17592 1 50 . 1 1 11 11 ILE N N 15 123.200 0.3 . 1 . . . . 11 ILE N . 17592 1 51 . 1 1 12 12 ALA H H 1 6.830 0.02 . 1 . . . . 12 ALA H . 17592 1 52 . 1 1 12 12 ALA C C 13 174.500 0.3 . 1 . . . . 12 ALA C . 17592 1 53 . 1 1 12 12 ALA CA C 13 52.700 0.3 . 1 . . . . 12 ALA CA . 17592 1 54 . 1 1 12 12 ALA CB C 13 18.600 0.3 . 1 . . . . 12 ALA CB . 17592 1 55 . 1 1 12 12 ALA N N 15 125.600 0.3 . 1 . . . . 12 ALA N . 17592 1 56 . 1 1 13 13 GLU H H 1 6.380 0.02 . 1 . . . . 13 GLU H . 17592 1 57 . 1 1 13 13 GLU C C 13 173.600 0.3 . 1 . . . . 13 GLU C . 17592 1 58 . 1 1 13 13 GLU CA C 13 53.900 0.3 . 1 . . . . 13 GLU CA . 17592 1 59 . 1 1 13 13 GLU CB C 13 33.400 0.3 . 1 . . . . 13 GLU CB . 17592 1 60 . 1 1 13 13 GLU N N 15 117.500 0.3 . 1 . . . . 13 GLU N . 17592 1 61 . 1 1 18 18 PRO C C 13 175.100 0.3 . 1 . . . . 18 PRO C . 17592 1 62 . 1 1 18 18 PRO CA C 13 63.600 0.3 . 1 . . . . 18 PRO CA . 17592 1 63 . 1 1 18 18 PRO CB C 13 31.700 0.3 . 1 . . . . 18 PRO CB . 17592 1 64 . 1 1 19 19 TYR H H 1 6.920 0.02 . 1 . . . . 19 TYR H . 17592 1 65 . 1 1 19 19 TYR C C 13 173.400 0.3 . 1 . . . . 19 TYR C . 17592 1 66 . 1 1 19 19 TYR CA C 13 56.200 0.3 . 1 . . . . 19 TYR CA . 17592 1 67 . 1 1 19 19 TYR CB C 13 38.100 0.3 . 1 . . . . 19 TYR CB . 17592 1 68 . 1 1 19 19 TYR N N 15 114.200 0.3 . 1 . . . . 19 TYR N . 17592 1 69 . 1 1 20 20 GLY H H 1 8.260 0.02 . 1 . . . . 20 GLY H . 17592 1 70 . 1 1 20 20 GLY C C 13 171.200 0.3 . 1 . . . . 20 GLY C . 17592 1 71 . 1 1 20 20 GLY CA C 13 44.800 0.3 . 1 . . . . 20 GLY CA . 17592 1 72 . 1 1 20 20 GLY N N 15 108.300 0.3 . 1 . . . . 20 GLY N . 17592 1 73 . 1 1 21 21 ASN H H 1 8.480 0.02 . 1 . . . . 21 ASN H . 17592 1 74 . 1 1 21 21 ASN C C 13 173.800 0.3 . 1 . . . . 21 ASN C . 17592 1 75 . 1 1 21 21 ASN CA C 13 53.300 0.3 . 1 . . . . 21 ASN CA . 17592 1 76 . 1 1 21 21 ASN CB C 13 42.700 0.3 . 1 . . . . 21 ASN CB . 17592 1 77 . 1 1 21 21 ASN N N 15 118.100 0.3 . 1 . . . . 21 ASN N . 17592 1 78 . 1 1 22 22 GLY H H 1 8.430 0.02 . 1 . . . . 22 GLY H . 17592 1 79 . 1 1 22 22 GLY C C 13 172.200 0.3 . 1 . . . . 22 GLY C . 17592 1 80 . 1 1 22 22 GLY CA C 13 43.500 0.3 . 1 . . . . 22 GLY CA . 17592 1 81 . 1 1 22 22 GLY N N 15 108.100 0.3 . 1 . . . . 22 GLY N . 17592 1 82 . 1 1 23 23 PRO C C 13 176.700 0.3 . 1 . . . . 23 PRO C . 17592 1 83 . 1 1 23 23 PRO CA C 13 63.200 0.3 . 1 . . . . 23 PRO CA . 17592 1 84 . 1 1 23 23 PRO CB C 13 31.100 0.3 . 1 . . . . 23 PRO CB . 17592 1 85 . 1 1 24 24 GLU H H 1 8.320 0.02 . 1 . . . . 24 GLU H . 17592 1 86 . 1 1 24 24 GLU C C 13 174.600 0.3 . 1 . . . . 24 GLU C . 17592 1 87 . 1 1 24 24 GLU CA C 13 54.500 0.3 . 1 . . . . 24 GLU CA . 17592 1 88 . 1 1 24 24 GLU CB C 13 28.800 0.3 . 1 . . . . 24 GLU CB . 17592 1 89 . 1 1 24 24 GLU N N 15 121.900 0.3 . 1 . . . . 24 GLU N . 17592 1 90 . 1 1 27 27 PHE H H 1 8.580 0.02 . 1 . . . . 27 PHE H . 17592 1 91 . 1 1 27 27 PHE CA C 13 58.700 0.3 . 1 . . . . 27 PHE CA . 17592 1 92 . 1 1 27 27 PHE CB C 13 37.000 0.3 . 1 . . . . 27 PHE CB . 17592 1 93 . 1 1 27 27 PHE N N 15 111.100 0.3 . 1 . . . . 27 PHE N . 17592 1 94 . 1 1 28 28 ILE H H 1 6.910 0.02 . 1 . . . . 28 ILE H . 17592 1 95 . 1 1 28 28 ILE C C 13 176.600 0.3 . 1 . . . . 28 ILE C . 17592 1 96 . 1 1 28 28 ILE CA C 13 61.700 0.3 . 1 . . . . 28 ILE CA . 17592 1 97 . 1 1 28 28 ILE CB C 13 38.500 0.3 . 1 . . . . 28 ILE CB . 17592 1 98 . 1 1 28 28 ILE N N 15 123.400 0.3 . 1 . . . . 28 ILE N . 17592 1 99 . 1 1 29 29 SER H H 1 8.220 0.02 . 1 . . . . 29 SER H . 17592 1 100 . 1 1 29 29 SER CA C 13 175.20 0.3 . 1 . . . . 29 SER CA . 17592 1 101 . 1 1 29 29 SER N N 15 106.800 0.3 . 1 . . . . 29 SER N . 17592 1 102 . 1 1 33 33 VAL H H 1 9.070 0.02 . 1 . . . . 33 VAL H . 17592 1 103 . 1 1 33 33 VAL C C 13 173.700 0.3 . 1 . . . . 33 VAL C . 17592 1 104 . 1 1 33 33 VAL CA C 13 58.600 0.3 . 1 . . . . 33 VAL CA . 17592 1 105 . 1 1 33 33 VAL CB C 13 32.700 0.3 . 1 . . . . 33 VAL CB . 17592 1 106 . 1 1 33 33 VAL N N 15 123.200 0.3 . 1 . . . . 33 VAL N . 17592 1 107 . 1 1 34 34 CYS H H 1 9.460 0.02 . 1 . . . . 34 CYS H . 17592 1 108 . 1 1 34 34 CYS C C 13 174.100 0.3 . 1 . . . . 34 CYS C . 17592 1 109 . 1 1 34 34 CYS CA C 13 57.500 0.3 . 1 . . . . 34 CYS CA . 17592 1 110 . 1 1 34 34 CYS CB C 13 27.300 0.3 . 1 . . . . 34 CYS CB . 17592 1 111 . 1 1 34 34 CYS N N 15 126.600 0.3 . 1 . . . . 34 CYS N . 17592 1 112 . 1 1 35 35 ILE H H 1 8.850 0.02 . 1 . . . . 35 ILE H . 17592 1 113 . 1 1 35 35 ILE C C 13 175.000 0.3 . 1 . . . . 35 ILE C . 17592 1 114 . 1 1 35 35 ILE CA C 13 59.700 0.3 . 1 . . . . 35 ILE CA . 17592 1 115 . 1 1 35 35 ILE CB C 13 39.700 0.3 . 1 . . . . 35 ILE CB . 17592 1 116 . 1 1 35 35 ILE N N 15 122.000 0.3 . 1 . . . . 35 ILE N . 17592 1 117 . 1 1 36 36 LEU H H 1 9.090 0.02 . 1 . . . . 36 LEU H . 17592 1 118 . 1 1 36 36 LEU C C 13 173.300 0.3 . 1 . . . . 36 LEU C . 17592 1 119 . 1 1 36 36 LEU CA C 13 53.100 0.3 . 1 . . . . 36 LEU CA . 17592 1 120 . 1 1 36 36 LEU CB C 13 43.200 0.3 . 1 . . . . 36 LEU CB . 17592 1 121 . 1 1 36 36 LEU N N 15 130.700 0.3 . 1 . . . . 36 LEU N . 17592 1 122 . 1 1 37 37 ASN H H 1 8.570 0.02 . 1 . . . . 37 ASN H . 17592 1 123 . 1 1 37 37 ASN C C 13 172.900 0.3 . 1 . . . . 37 ASN C . 17592 1 124 . 1 1 37 37 ASN CA C 13 50.200 0.3 . 1 . . . . 37 ASN CA . 17592 1 125 . 1 1 37 37 ASN CB C 13 38.100 0.3 . 1 . . . . 37 ASN CB . 17592 1 126 . 1 1 37 37 ASN N N 15 124.600 0.3 . 1 . . . . 37 ASN N . 17592 1 127 . 1 1 38 38 ALA H H 1 8.790 0.02 . 1 . . . . 38 ALA H . 17592 1 128 . 1 1 38 38 ALA C C 13 177.100 0.3 . 1 . . . . 38 ALA C . 17592 1 129 . 1 1 38 38 ALA CA C 13 51.000 0.3 . 1 . . . . 38 ALA CA . 17592 1 130 . 1 1 38 38 ALA CB C 13 17.400 0.3 . 1 . . . . 38 ALA CB . 17592 1 131 . 1 1 38 38 ALA N N 15 123.800 0.3 . 1 . . . . 38 ALA N . 17592 1 132 . 1 1 39 39 GLY H H 1 7.810 0.02 . 1 . . . . 39 GLY H . 17592 1 133 . 1 1 39 39 GLY C C 13 172.000 0.3 . 1 . . . . 39 GLY C . 17592 1 134 . 1 1 39 39 GLY CA C 13 44.000 0.3 . 1 . . . . 39 GLY CA . 17592 1 135 . 1 1 39 39 GLY N N 15 106.000 0.3 . 1 . . . . 39 GLY N . 17592 1 136 . 1 1 40 40 ASP H H 1 8.100 0.02 . 1 . . . . 40 ASP H . 17592 1 137 . 1 1 40 40 ASP C C 13 175.800 0.3 . 1 . . . . 40 ASP C . 17592 1 138 . 1 1 40 40 ASP CA C 13 54.700 0.3 . 1 . . . . 40 ASP CA . 17592 1 139 . 1 1 40 40 ASP CB C 13 41.200 0.3 . 1 . . . . 40 ASP CB . 17592 1 140 . 1 1 40 40 ASP N N 15 112.300 0.3 . 1 . . . . 40 ASP N . 17592 1 141 . 1 1 41 41 GLU H H 1 7.840 0.02 . 1 . . . . 41 GLU H . 17592 1 142 . 1 1 41 41 GLU C C 13 175.300 0.3 . 1 . . . . 41 GLU C . 17592 1 143 . 1 1 41 41 GLU CA C 13 53.700 0.3 . 1 . . . . 41 GLU CA . 17592 1 144 . 1 1 41 41 GLU CB C 13 31.700 0.3 . 1 . . . . 41 GLU CB . 17592 1 145 . 1 1 41 41 GLU N N 15 119.800 0.3 . 1 . . . . 41 GLU N . 17592 1 146 . 1 1 42 42 ASP H H 1 8.820 0.02 . 1 . . . . 42 ASP H . 17592 1 147 . 1 1 42 42 ASP C C 13 173.200 0.3 . 1 . . . . 42 ASP C . 17592 1 148 . 1 1 42 42 ASP CA C 13 54.900 0.3 . 1 . . . . 42 ASP CA . 17592 1 149 . 1 1 42 42 ASP CB C 13 39.900 0.3 . 1 . . . . 42 ASP CB . 17592 1 150 . 1 1 42 42 ASP N N 15 124.400 0.3 . 1 . . . . 42 ASP N . 17592 1 151 . 1 1 43 43 ALA H H 1 8.240 0.02 . 1 . . . . 43 ALA H . 17592 1 152 . 1 1 43 43 ALA C C 13 175.800 0.3 . 1 . . . . 43 ALA C . 17592 1 153 . 1 1 43 43 ALA CA C 13 49.600 0.3 . 1 . . . . 43 ALA CA . 17592 1 154 . 1 1 43 43 ALA CB C 13 18.000 0.3 . 1 . . . . 43 ALA CB . 17592 1 155 . 1 1 43 43 ALA N N 15 123.300 0.3 . 1 . . . . 43 ALA N . 17592 1 156 . 1 1 44 44 HIS H H 1 9.300 0.02 . 1 . . . . 44 HIS H . 17592 1 157 . 1 1 44 44 HIS C C 13 174.300 0.3 . 1 . . . . 44 HIS C . 17592 1 158 . 1 1 44 44 HIS CA C 13 54.900 0.3 . 1 . . . . 44 HIS CA . 17592 1 159 . 1 1 44 44 HIS CB C 13 27.800 0.3 . 1 . . . . 44 HIS CB . 17592 1 160 . 1 1 44 44 HIS N N 15 127.300 0.3 . 1 . . . . 44 HIS N . 17592 1 161 . 1 1 45 45 VAL H H 1 9.030 0.02 . 1 . . . . 45 VAL H . 17592 1 162 . 1 1 45 45 VAL C C 13 175.800 0.3 . 1 . . . . 45 VAL C . 17592 1 163 . 1 1 45 45 VAL CA C 13 61.300 0.3 . 1 . . . . 45 VAL CA . 17592 1 164 . 1 1 45 45 VAL CB C 13 32.200 0.3 . 1 . . . . 45 VAL CB . 17592 1 165 . 1 1 45 45 VAL N N 15 126.800 0.3 . 1 . . . . 45 VAL N . 17592 1 166 . 1 1 46 46 GLU H H 1 9.460 0.02 . 1 . . . . 46 GLU H . 17592 1 167 . 1 1 46 46 GLU C C 13 176.200 0.3 . 1 . . . . 46 GLU C . 17592 1 168 . 1 1 46 46 GLU CA C 13 54.500 0.3 . 1 . . . . 46 GLU CA . 17592 1 169 . 1 1 46 46 GLU CB C 13 32.200 0.3 . 1 . . . . 46 GLU CB . 17592 1 170 . 1 1 46 46 GLU N N 15 126.300 0.3 . 1 . . . . 46 GLU N . 17592 1 171 . 1 1 47 47 ILE H H 1 9.820 0.02 . 1 . . . . 47 ILE H . 17592 1 172 . 1 1 47 47 ILE C C 13 175.800 0.3 . 1 . . . . 47 ILE C . 17592 1 173 . 1 1 47 47 ILE CA C 13 60.400 0.3 . 1 . . . . 47 ILE CA . 17592 1 174 . 1 1 47 47 ILE CB C 13 41.000 0.3 . 1 . . . . 47 ILE CB . 17592 1 175 . 1 1 47 47 ILE N N 15 127.400 0.3 . 1 . . . . 47 ILE N . 17592 1 176 . 1 1 48 48 THR H H 1 9.590 0.02 . 1 . . . . 48 THR H . 17592 1 177 . 1 1 48 48 THR C C 13 172.000 0.3 . 1 . . . . 48 THR C . 17592 1 178 . 1 1 48 48 THR CA C 13 62.800 0.3 . 1 . . . . 48 THR CA . 17592 1 179 . 1 1 48 48 THR CB C 13 70.200 0.3 . 1 . . . . 48 THR CB . 17592 1 180 . 1 1 48 48 THR N N 15 126.800 0.3 . 1 . . . . 48 THR N . 17592 1 181 . 1 1 49 49 ILE H H 1 9.050 0.02 . 1 . . . . 49 ILE H . 17592 1 182 . 1 1 49 49 ILE C C 13 174.300 0.3 . 1 . . . . 49 ILE C . 17592 1 183 . 1 1 49 49 ILE CA C 13 57.200 0.3 . 1 . . . . 49 ILE CA . 17592 1 184 . 1 1 49 49 ILE CB C 13 35.900 0.3 . 1 . . . . 49 ILE CB . 17592 1 185 . 1 1 49 49 ILE N N 15 128.800 0.3 . 1 . . . . 49 ILE N . 17592 1 186 . 1 1 50 50 TYR H H 1 8.790 0.02 . 1 . . . . 50 TYR H . 17592 1 187 . 1 1 50 50 TYR C C 13 173.800 0.3 . 1 . . . . 50 TYR C . 17592 1 188 . 1 1 50 50 TYR CA C 13 56.000 0.3 . 1 . . . . 50 TYR CA . 17592 1 189 . 1 1 50 50 TYR N N 15 124.900 0.3 . 1 . . . . 50 TYR N . 17592 1 190 . 1 1 51 51 TYR H H 1 10.000 0.02 . 1 . . . . 51 TYR H . 17592 1 191 . 1 1 51 51 TYR C C 13 176.600 0.3 . 1 . . . . 51 TYR C . 17592 1 192 . 1 1 51 51 TYR CA C 13 56.700 0.3 . 1 . . . . 51 TYR CA . 17592 1 193 . 1 1 51 51 TYR CB C 13 43.500 0.3 . 1 . . . . 51 TYR CB . 17592 1 194 . 1 1 51 51 TYR N N 15 117.400 0.3 . 1 . . . . 51 TYR N . 17592 1 195 . 1 1 52 52 SER H H 1 9.550 0.02 . 1 . . . . 52 SER H . 17592 1 196 . 1 1 52 52 SER C C 13 178.400 0.3 . 1 . . . . 52 SER C . 17592 1 197 . 1 1 52 52 SER CA C 13 59.500 0.3 . 1 . . . . 52 SER CA . 17592 1 198 . 1 1 52 52 SER CB C 13 64.400 0.3 . 1 . . . . 52 SER CB . 17592 1 199 . 1 1 52 52 SER N N 15 114.900 0.3 . 1 . . . . 52 SER N . 17592 1 200 . 1 1 53 53 ASP H H 1 8.400 0.02 . 1 . . . . 53 ASP H . 17592 1 201 . 1 1 53 53 ASP C C 13 175.100 0.3 . 1 . . . . 53 ASP C . 17592 1 202 . 1 1 53 53 ASP CA C 13 53.100 0.3 . 1 . . . . 53 ASP CA . 17592 1 203 . 1 1 53 53 ASP CB C 13 40.800 0.3 . 1 . . . . 53 ASP CB . 17592 1 204 . 1 1 53 53 ASP N N 15 119.100 0.3 . 1 . . . . 53 ASP N . 17592 1 205 . 1 1 54 54 LYS H H 1 7.330 0.02 . 1 . . . . 54 LYS H . 17592 1 206 . 1 1 54 54 LYS C C 13 174.000 0.3 . 1 . . . . 54 LYS C . 17592 1 207 . 1 1 54 54 LYS CA C 13 54.500 0.3 . 1 . . . . 54 LYS CA . 17592 1 208 . 1 1 54 54 LYS CB C 13 33.700 0.3 . 1 . . . . 54 LYS CB . 17592 1 209 . 1 1 54 54 LYS N N 15 115.700 0.3 . 1 . . . . 54 LYS N . 17592 1 210 . 1 1 55 55 GLU H H 1 8.200 0.02 . 1 . . . . 55 GLU H . 17592 1 211 . 1 1 55 55 GLU C C 13 172.800 0.3 . 1 . . . . 55 GLU C . 17592 1 212 . 1 1 55 55 GLU CA C 13 55.400 0.3 . 1 . . . . 55 GLU CA . 17592 1 213 . 1 1 55 55 GLU CB C 13 28.300 0.3 . 1 . . . . 55 GLU CB . 17592 1 214 . 1 1 55 55 GLU N N 15 119.100 0.3 . 1 . . . . 55 GLU N . 17592 1 215 . 1 1 56 56 PRO C C 13 177.600 0.3 . 1 . . . . 56 PRO C . 17592 1 216 . 1 1 56 56 PRO CA C 13 62.500 0.3 . 1 . . . . 56 PRO CA . 17592 1 217 . 1 1 56 56 PRO CB C 13 31.500 0.3 . 1 . . . . 56 PRO CB . 17592 1 218 . 1 1 57 57 VAL H H 1 9.250 0.02 . 1 . . . . 57 VAL H . 17592 1 219 . 1 1 57 57 VAL C C 13 174.700 0.3 . 1 . . . . 57 VAL C . 17592 1 220 . 1 1 57 57 VAL CA C 13 61.200 0.3 . 1 . . . . 57 VAL CA . 17592 1 221 . 1 1 57 57 VAL CB C 13 34.400 0.3 . 1 . . . . 57 VAL CB . 17592 1 222 . 1 1 57 57 VAL N N 15 121.700 0.3 . 1 . . . . 57 VAL N . 17592 1 223 . 1 1 58 58 GLY H H 1 8.190 0.02 . 1 . . . . 58 GLY H . 17592 1 224 . 1 1 58 58 GLY C C 13 170.200 0.3 . 1 . . . . 58 GLY C . 17592 1 225 . 1 1 58 58 GLY CA C 13 44.000 0.3 . 1 . . . . 58 GLY CA . 17592 1 226 . 1 1 58 58 GLY N N 15 111.800 0.3 . 1 . . . . 58 GLY N . 17592 1 227 . 1 1 59 59 PRO C C 13 175.800 0.3 . 1 . . . . 59 PRO C . 17592 1 228 . 1 1 59 59 PRO CA C 13 61.600 0.3 . 1 . . . . 59 PRO CA . 17592 1 229 . 1 1 59 59 PRO CB C 13 33.400 0.3 . 1 . . . . 59 PRO CB . 17592 1 230 . 1 1 60 60 TYR H H 1 10.000 0.02 . 1 . . . . 60 TYR H . 17592 1 231 . 1 1 60 60 TYR C C 13 176.000 0.3 . 1 . . . . 60 TYR C . 17592 1 232 . 1 1 60 60 TYR CA C 13 57.400 0.3 . 1 . . . . 60 TYR CA . 17592 1 233 . 1 1 60 60 TYR CB C 13 37.100 0.3 . 1 . . . . 60 TYR CB . 17592 1 234 . 1 1 60 60 TYR N N 15 125.100 0.3 . 1 . . . . 60 TYR N . 17592 1 235 . 1 1 61 61 ARG H H 1 9.040 0.02 . 1 . . . . 61 ARG H . 17592 1 236 . 1 1 61 61 ARG C C 13 176.200 0.3 . 1 . . . . 61 ARG C . 17592 1 237 . 1 1 61 61 ARG CA C 13 55.900 0.3 . 1 . . . . 61 ARG CA . 17592 1 238 . 1 1 61 61 ARG CB C 13 30.900 0.3 . 1 . . . . 61 ARG CB . 17592 1 239 . 1 1 61 61 ARG N N 15 124.100 0.3 . 1 . . . . 61 ARG N . 17592 1 240 . 1 1 62 62 LEU H H 1 8.760 0.02 . 1 . . . . 62 LEU H . 17592 1 241 . 1 1 62 62 LEU C C 13 174.500 0.3 . 1 . . . . 62 LEU C . 17592 1 242 . 1 1 62 62 LEU CA C 13 54.700 0.3 . 1 . . . . 62 LEU CA . 17592 1 243 . 1 1 62 62 LEU CB C 13 43.300 0.3 . 1 . . . . 62 LEU CB . 17592 1 244 . 1 1 62 62 LEU N N 15 121.600 0.3 . 1 . . . . 62 LEU N . 17592 1 245 . 1 1 63 63 THR H H 1 8.670 0.02 . 1 . . . . 63 THR H . 17592 1 246 . 1 1 63 63 THR C C 13 174.500 0.3 . 1 . . . . 63 THR C . 17592 1 247 . 1 1 63 63 THR CA C 13 60.500 0.3 . 1 . . . . 63 THR CA . 17592 1 248 . 1 1 63 63 THR CB C 13 70.200 0.3 . 1 . . . . 63 THR CB . 17592 1 249 . 1 1 63 63 THR N N 15 118.300 0.3 . 1 . . . . 63 THR N . 17592 1 250 . 1 1 64 64 VAL H H 1 9.430 0.02 . 1 . . . . 64 VAL H . 17592 1 251 . 1 1 64 64 VAL C C 13 173.200 0.3 . 1 . . . . 64 VAL C . 17592 1 252 . 1 1 64 64 VAL CA C 13 59.200 0.3 . 1 . . . . 64 VAL CA . 17592 1 253 . 1 1 64 64 VAL CB C 13 31.400 0.3 . 1 . . . . 64 VAL CB . 17592 1 254 . 1 1 64 64 VAL N N 15 128.600 0.3 . 1 . . . . 64 VAL N . 17592 1 255 . 1 1 65 65 PRO C C 13 171.900 0.3 . 1 . . . . 65 PRO C . 17592 1 256 . 1 1 65 65 PRO CA C 13 62.000 0.3 . 1 . . . . 65 PRO CA . 17592 1 257 . 1 1 65 65 PRO CB C 13 31.400 0.3 . 1 . . . . 65 PRO CB . 17592 1 258 . 1 1 66 66 ALA H H 1 7.900 0.02 . 1 . . . . 66 ALA H . 17592 1 259 . 1 1 66 66 ALA C C 13 176.200 0.3 . 1 . . . . 66 ALA C . 17592 1 260 . 1 1 66 66 ALA CA C 13 52.500 0.3 . 1 . . . . 66 ALA CA . 17592 1 261 . 1 1 66 66 ALA CB C 13 18.600 0.3 . 1 . . . . 66 ALA CB . 17592 1 262 . 1 1 66 66 ALA N N 15 119.600 0.3 . 1 . . . . 66 ALA N . 17592 1 263 . 1 1 67 67 ARG H H 1 7.830 0.02 . 1 . . . . 67 ARG H . 17592 1 264 . 1 1 67 67 ARG C C 13 176.400 0.3 . 1 . . . . 67 ARG C . 17592 1 265 . 1 1 67 67 ARG CA C 13 56.700 0.3 . 1 . . . . 67 ARG CA . 17592 1 266 . 1 1 67 67 ARG CB C 13 26.100 0.3 . 1 . . . . 67 ARG CB . 17592 1 267 . 1 1 67 67 ARG N N 15 118.200 0.3 . 1 . . . . 67 ARG N . 17592 1 268 . 1 1 68 68 ARG C C 13 174.800 0.3 . 1 . . . . 68 ARG C . 17592 1 269 . 1 1 68 68 ARG CA C 13 53.300 0.3 . 1 . . . . 68 ARG CA . 17592 1 270 . 1 1 68 68 ARG CB C 13 33.200 0.3 . 1 . . . . 68 ARG CB . 17592 1 271 . 1 1 69 69 THR H H 1 7.300 0.02 . 1 . . . . 69 THR H . 17592 1 272 . 1 1 69 69 THR C C 13 172.400 0.3 . 1 . . . . 69 THR C . 17592 1 273 . 1 1 69 69 THR CA C 13 56.700 0.3 . 1 . . . . 69 THR CA . 17592 1 274 . 1 1 69 69 THR CB C 13 69.900 0.3 . 1 . . . . 69 THR CB . 17592 1 275 . 1 1 69 69 THR N N 15 112.300 0.3 . 1 . . . . 69 THR N . 17592 1 276 . 1 1 70 70 LYS H H 1 8.550 0.02 . 1 . . . . 70 LYS H . 17592 1 277 . 1 1 70 70 LYS C C 13 174.600 0.3 . 1 . . . . 70 LYS C . 17592 1 278 . 1 1 70 70 LYS CA C 13 55.100 0.3 . 1 . . . . 70 LYS CA . 17592 1 279 . 1 1 70 70 LYS CB C 13 35.800 0.3 . 1 . . . . 70 LYS CB . 17592 1 280 . 1 1 70 70 LYS N N 15 125.000 0.3 . 1 . . . . 70 LYS N . 17592 1 281 . 1 1 71 71 HIS H H 1 9.970 0.02 . 1 . . . . 71 HIS H . 17592 1 282 . 1 1 71 71 HIS C C 13 172.900 0.3 . 1 . . . . 71 HIS C . 17592 1 283 . 1 1 71 71 HIS CA C 13 52.400 0.3 . 1 . . . . 71 HIS CA . 17592 1 284 . 1 1 71 71 HIS CB C 13 26.900 0.3 . 1 . . . . 71 HIS CB . 17592 1 285 . 1 1 71 71 HIS N N 15 128.200 0.3 . 1 . . . . 71 HIS N . 17592 1 286 . 1 1 72 72 VAL H H 1 8.640 0.02 . 1 . . . . 72 VAL H . 17592 1 287 . 1 1 72 72 VAL C C 13 174.500 0.3 . 1 . . . . 72 VAL C . 17592 1 288 . 1 1 72 72 VAL CA C 13 61.600 0.3 . 1 . . . . 72 VAL CA . 17592 1 289 . 1 1 72 72 VAL CB C 13 31.900 0.3 . 1 . . . . 72 VAL CB . 17592 1 290 . 1 1 72 72 VAL N N 15 127.600 0.3 . 1 . . . . 72 VAL N . 17592 1 291 . 1 1 73 73 ARG H H 1 9.080 0.02 . 1 . . . . 73 ARG H . 17592 1 292 . 1 1 73 73 ARG C C 13 179.000 0.3 . 1 . . . . 73 ARG C . 17592 1 293 . 1 1 73 73 ARG CA C 13 54.800 0.3 . 1 . . . . 73 ARG CA . 17592 1 294 . 1 1 73 73 ARG CB C 13 28.800 0.3 . 1 . . . . 73 ARG CB . 17592 1 295 . 1 1 73 73 ARG N N 15 126.600 0.3 . 1 . . . . 73 ARG N . 17592 1 296 . 1 1 74 74 PHE C C 13 178.200 0.3 . 1 . . . . 74 PHE C . 17592 1 297 . 1 1 74 74 PHE CA C 13 62.100 0.3 . 1 . . . . 74 PHE CA . 17592 1 298 . 1 1 74 74 PHE CB C 13 37.500 0.3 . 1 . . . . 74 PHE CB . 17592 1 299 . 1 1 75 75 ASN H H 1 9.260 0.02 . 1 . . . . 75 ASN H . 17592 1 300 . 1 1 75 75 ASN C C 13 175.000 0.3 . 1 . . . . 75 ASN C . 17592 1 301 . 1 1 75 75 ASN CA C 13 55.800 0.3 . 1 . . . . 75 ASN CA . 17592 1 302 . 1 1 75 75 ASN CB C 13 36.300 0.3 . 1 . . . . 75 ASN CB . 17592 1 303 . 1 1 75 75 ASN N N 15 110.700 0.3 . 1 . . . . 75 ASN N . 17592 1 304 . 1 1 76 76 ASP H H 1 7.540 0.02 . 1 . . . . 76 ASP H . 17592 1 305 . 1 1 76 76 ASP C C 13 176.600 0.3 . 1 . . . . 76 ASP C . 17592 1 306 . 1 1 76 76 ASP CA C 13 54.400 0.3 . 1 . . . . 76 ASP CA . 17592 1 307 . 1 1 76 76 ASP CB C 13 40.800 0.3 . 1 . . . . 76 ASP CB . 17592 1 308 . 1 1 76 76 ASP N N 15 114.600 0.3 . 1 . . . . 76 ASP N . 17592 1 309 . 1 1 77 77 LEU H H 1 7.170 0.02 . 1 . . . . 77 LEU H . 17592 1 310 . 1 1 77 77 LEU C C 13 177.500 0.3 . 1 . . . . 77 LEU C . 17592 1 311 . 1 1 77 77 LEU CA C 13 55.200 0.3 . 1 . . . . 77 LEU CA . 17592 1 312 . 1 1 77 77 LEU CB C 13 40.100 0.3 . 1 . . . . 77 LEU CB . 17592 1 313 . 1 1 77 77 LEU N N 15 121.300 0.3 . 1 . . . . 77 LEU N . 17592 1 314 . 1 1 80 80 PRO C C 13 176.600 0.3 . 1 . . . . 80 PRO C . 17592 1 315 . 1 1 80 80 PRO CA C 13 64.000 0.3 . 1 . . . . 80 PRO CA . 17592 1 316 . 1 1 80 80 PRO CB C 13 33.700 0.3 . 1 . . . . 80 PRO CB . 17592 1 317 . 1 1 81 81 ALA H H 1 6.900 0.02 . 1 . . . . 81 ALA H . 17592 1 318 . 1 1 81 81 ALA C C 13 174.500 0.3 . 1 . . . . 81 ALA C . 17592 1 319 . 1 1 81 81 ALA CA C 13 50.700 0.3 . 1 . . . . 81 ALA CA . 17592 1 320 . 1 1 81 81 ALA CB C 13 19.600 0.3 . 1 . . . . 81 ALA CB . 17592 1 321 . 1 1 81 81 ALA N N 15 121.600 0.3 . 1 . . . . 81 ALA N . 17592 1 322 . 1 1 82 82 PRO C C 13 175.800 0.3 . 1 . . . . 82 PRO C . 17592 1 323 . 1 1 82 82 PRO CA C 13 62.400 0.3 . 1 . . . . 82 PRO CA . 17592 1 324 . 1 1 82 82 PRO CB C 13 30.900 0.3 . 1 . . . . 82 PRO CB . 17592 1 325 . 1 1 83 83 ILE H H 1 9.140 0.02 . 1 . . . . 83 ILE H . 17592 1 326 . 1 1 83 83 ILE C C 13 174.400 0.3 . 1 . . . . 83 ILE C . 17592 1 327 . 1 1 83 83 ILE CA C 13 58.200 0.3 . 1 . . . . 83 ILE CA . 17592 1 328 . 1 1 83 83 ILE CB C 13 38.600 0.3 . 1 . . . . 83 ILE CB . 17592 1 329 . 1 1 83 83 ILE N N 15 128.500 0.3 . 1 . . . . 83 ILE N . 17592 1 330 . 1 1 84 84 PRO C C 13 176.400 0.3 . 1 . . . . 84 PRO C . 17592 1 331 . 1 1 84 84 PRO CA C 13 62.000 0.3 . 1 . . . . 84 PRO CA . 17592 1 332 . 1 1 84 84 PRO CB C 13 31.100 0.3 . 1 . . . . 84 PRO CB . 17592 1 333 . 1 1 85 85 HIS H H 1 8.570 0.02 . 1 . . . . 85 HIS H . 17592 1 334 . 1 1 85 85 HIS C C 13 177.800 0.3 . 1 . . . . 85 HIS C . 17592 1 335 . 1 1 85 85 HIS CA C 13 53.800 0.3 . 1 . . . . 85 HIS CA . 17592 1 336 . 1 1 85 85 HIS CB C 13 30.800 0.3 . 1 . . . . 85 HIS CB . 17592 1 337 . 1 1 85 85 HIS N N 15 119.300 0.3 . 1 . . . . 85 HIS N . 17592 1 338 . 1 1 86 86 ASP H H 1 9.380 0.02 . 1 . . . . 86 ASP H . 17592 1 339 . 1 1 86 86 ASP C C 13 174.900 0.3 . 1 . . . . 86 ASP C . 17592 1 340 . 1 1 86 86 ASP CA C 13 55.400 0.3 . 1 . . . . 86 ASP CA . 17592 1 341 . 1 1 86 86 ASP CB C 13 41.200 0.3 . 1 . . . . 86 ASP CB . 17592 1 342 . 1 1 86 86 ASP N N 15 122.100 0.3 . 1 . . . . 86 ASP N . 17592 1 343 . 1 1 87 87 THR H H 1 8.450 0.02 . 1 . . . . 87 THR H . 17592 1 344 . 1 1 87 87 THR CA C 13 62.300 0.3 . 1 . . . . 87 THR CA . 17592 1 345 . 1 1 87 87 THR CB C 13 72.200 0.3 . 1 . . . . 87 THR CB . 17592 1 346 . 1 1 87 87 THR N N 15 114.100 0.3 . 1 . . . . 87 THR N . 17592 1 347 . 1 1 88 88 ASP H H 1 8.900 0.02 . 1 . . . . 88 ASP H . 17592 1 348 . 1 1 88 88 ASP C C 13 175.200 0.3 . 1 . . . . 88 ASP C . 17592 1 349 . 1 1 88 88 ASP CA C 13 55.100 0.3 . 1 . . . . 88 ASP CA . 17592 1 350 . 1 1 88 88 ASP CB C 13 39.700 0.3 . 1 . . . . 88 ASP CB . 17592 1 351 . 1 1 88 88 ASP N N 15 130.600 0.3 . 1 . . . . 88 ASP N . 17592 1 352 . 1 1 89 89 PHE H H 1 9.110 0.02 . 1 . . . . 89 PHE H . 17592 1 353 . 1 1 89 89 PHE C C 13 171.300 0.3 . 1 . . . . 89 PHE C . 17592 1 354 . 1 1 89 89 PHE CA C 13 56.800 0.3 . 1 . . . . 89 PHE CA . 17592 1 355 . 1 1 89 89 PHE CB C 13 40.000 0.3 . 1 . . . . 89 PHE CB . 17592 1 356 . 1 1 89 89 PHE N N 15 122.400 0.3 . 1 . . . . 89 PHE N . 17592 1 357 . 1 1 90 90 ALA H H 1 8.620 0.02 . 1 . . . . 90 ALA H . 17592 1 358 . 1 1 90 90 ALA C C 13 177.300 0.3 . 1 . . . . 90 ALA C . 17592 1 359 . 1 1 90 90 ALA CA C 13 50.800 0.3 . 1 . . . . 90 ALA CA . 17592 1 360 . 1 1 90 90 ALA CB C 13 22.700 0.3 . 1 . . . . 90 ALA CB . 17592 1 361 . 1 1 90 90 ALA N N 15 120.500 0.3 . 1 . . . . 90 ALA N . 17592 1 362 . 1 1 91 91 SER H H 1 9.350 0.02 . 1 . . . . 91 SER H . 17592 1 363 . 1 1 91 91 SER C C 13 173.400 0.3 . 1 . . . . 91 SER C . 17592 1 364 . 1 1 91 91 SER CA C 13 58.200 0.3 . 1 . . . . 91 SER CA . 17592 1 365 . 1 1 91 91 SER CB C 13 66.600 0.3 . 1 . . . . 91 SER CB . 17592 1 366 . 1 1 91 91 SER N N 15 111.700 0.3 . 1 . . . . 91 SER N . 17592 1 367 . 1 1 92 92 VAL H H 1 8.810 0.02 . 1 . . . . 92 VAL H . 17592 1 368 . 1 1 92 92 VAL C C 13 174.700 0.3 . 1 . . . . 92 VAL C . 17592 1 369 . 1 1 92 92 VAL CA C 13 61.100 0.3 . 1 . . . . 92 VAL CA . 17592 1 370 . 1 1 92 92 VAL CB C 13 34.500 0.3 . 1 . . . . 92 VAL CB . 17592 1 371 . 1 1 92 92 VAL N N 15 119.200 0.3 . 1 . . . . 92 VAL N . 17592 1 372 . 1 1 93 93 ILE H H 1 9.550 0.02 . 1 . . . . 93 ILE H . 17592 1 373 . 1 1 93 93 ILE C C 13 174.300 0.3 . 1 . . . . 93 ILE C . 17592 1 374 . 1 1 93 93 ILE CA C 13 61.100 0.3 . 1 . . . . 93 ILE CA . 17592 1 375 . 1 1 93 93 ILE CB C 13 39.900 0.3 . 1 . . . . 93 ILE CB . 17592 1 376 . 1 1 93 93 ILE N N 15 128.900 0.3 . 1 . . . . 93 ILE N . 17592 1 377 . 1 1 94 94 GLN H H 1 9.230 0.02 . 1 . . . . 94 GLN H . 17592 1 378 . 1 1 94 94 GLN C C 13 174.600 0.3 . 1 . . . . 94 GLN C . 17592 1 379 . 1 1 94 94 GLN CA C 13 54.200 0.3 . 1 . . . . 94 GLN CA . 17592 1 380 . 1 1 94 94 GLN CB C 13 32.700 0.3 . 1 . . . . 94 GLN CB . 17592 1 381 . 1 1 94 94 GLN N N 15 125.400 0.3 . 1 . . . . 94 GLN N . 17592 1 382 . 1 1 95 95 SER H H 1 8.990 0.02 . 1 . . . . 95 SER H . 17592 1 383 . 1 1 95 95 SER C C 13 173.800 0.3 . 1 . . . . 95 SER C . 17592 1 384 . 1 1 95 95 SER CA C 13 55.600 0.3 . 1 . . . . 95 SER CA . 17592 1 385 . 1 1 95 95 SER CB C 13 65.200 0.3 . 1 . . . . 95 SER CB . 17592 1 386 . 1 1 95 95 SER N N 15 116.300 0.3 . 1 . . . . 95 SER N . 17592 1 387 . 1 1 96 96 ASN H H 1 9.150 0.02 . 1 . . . . 96 ASN H . 17592 1 388 . 1 1 96 96 ASN C C 13 175.100 0.3 . 1 . . . . 96 ASN C . 17592 1 389 . 1 1 96 96 ASN CA C 13 55.300 0.3 . 1 . . . . 96 ASN CA . 17592 1 390 . 1 1 96 96 ASN CB C 13 35.800 0.3 . 1 . . . . 96 ASN CB . 17592 1 391 . 1 1 96 96 ASN N N 15 121.200 0.3 . 1 . . . . 96 ASN N . 17592 1 392 . 1 1 97 97 VAL H H 1 7.520 0.02 . 1 . . . . 97 VAL H . 17592 1 393 . 1 1 97 97 VAL C C 13 173.700 0.3 . 1 . . . . 97 VAL C . 17592 1 394 . 1 1 97 97 VAL CA C 13 57.700 0.3 . 1 . . . . 97 VAL CA . 17592 1 395 . 1 1 97 97 VAL CB C 13 31.300 0.3 . 1 . . . . 97 VAL CB . 17592 1 396 . 1 1 97 97 VAL N N 15 113.000 0.3 . 1 . . . . 97 VAL N . 17592 1 397 . 1 1 100 100 VAL C C 13 175.200 0.3 . 1 . . . . 100 VAL C . 17592 1 398 . 1 1 100 100 VAL CA C 13 64.000 0.3 . 1 . . . . 100 VAL CA . 17592 1 399 . 1 1 100 100 VAL CB C 13 30.200 0.3 . 1 . . . . 100 VAL CB . 17592 1 400 . 1 1 101 101 VAL H H 1 8.420 0.02 . 1 . . . . 101 VAL H . 17592 1 401 . 1 1 101 101 VAL C C 13 174.900 0.3 . 1 . . . . 101 VAL C . 17592 1 402 . 1 1 101 101 VAL CA C 13 59.700 0.3 . 1 . . . . 101 VAL CA . 17592 1 403 . 1 1 101 101 VAL CB C 13 33.100 0.3 . 1 . . . . 101 VAL CB . 17592 1 404 . 1 1 101 101 VAL N N 15 116.200 0.3 . 1 . . . . 101 VAL N . 17592 1 405 . 1 1 102 102 GLN H H 1 8.730 0.02 . 1 . . . . 102 GLN H . 17592 1 406 . 1 1 102 102 GLN C C 13 172.100 0.3 . 1 . . . . 102 GLN C . 17592 1 407 . 1 1 102 102 GLN CA C 13 54.700 0.3 . 1 . . . . 102 GLN CA . 17592 1 408 . 1 1 102 102 GLN CB C 13 33.300 0.3 . 1 . . . . 102 GLN CB . 17592 1 409 . 1 1 102 102 GLN N N 15 128.700 0.3 . 1 . . . . 102 GLN N . 17592 1 410 . 1 1 103 103 HIS H H 1 9.180 0.02 . 1 . . . . 103 HIS H . 17592 1 411 . 1 1 103 103 HIS C C 13 173.600 0.3 . 1 . . . . 103 HIS C . 17592 1 412 . 1 1 103 103 HIS CA C 13 53.800 0.3 . 1 . . . . 103 HIS CA . 17592 1 413 . 1 1 103 103 HIS CB C 13 34.600 0.3 . 1 . . . . 103 HIS CB . 17592 1 414 . 1 1 103 103 HIS N N 15 130.000 0.3 . 1 . . . . 103 HIS N . 17592 1 415 . 1 1 109 109 ARG H H 1 9.410 0.02 . 1 . . . . 109 ARG H . 17592 1 416 . 1 1 109 109 ARG CA C 13 55.200 0.3 . 1 . . . . 109 ARG CA . 17592 1 417 . 1 1 109 109 ARG CB C 13 29.800 0.3 . 1 . . . . 109 ARG CB . 17592 1 418 . 1 1 109 109 ARG N N 15 120.800 0.3 . 1 . . . . 109 ARG N . 17592 1 419 . 1 1 110 110 GLN H H 1 7.440 0.02 . 1 . . . . 110 GLN H . 17592 1 420 . 1 1 110 110 GLN C C 13 175.800 0.3 . 1 . . . . 110 GLN C . 17592 1 421 . 1 1 110 110 GLN CA C 13 54.700 0.3 . 1 . . . . 110 GLN CA . 17592 1 422 . 1 1 110 110 GLN CB C 13 34.900 0.3 . 1 . . . . 110 GLN CB . 17592 1 423 . 1 1 110 110 GLN N N 15 122.100 0.3 . 1 . . . . 110 GLN N . 17592 1 424 . 1 1 111 111 ALA H H 1 9.270 0.02 . 1 . . . . 111 ALA H . 17592 1 425 . 1 1 111 111 ALA C C 13 174.800 0.3 . 1 . . . . 111 ALA C . 17592 1 426 . 1 1 111 111 ALA CA C 13 54.000 0.3 . 1 . . . . 111 ALA CA . 17592 1 427 . 1 1 111 111 ALA CB C 13 17.300 0.3 . 1 . . . . 111 ALA CB . 17592 1 428 . 1 1 111 111 ALA N N 15 125.000 0.3 . 1 . . . . 111 ALA N . 17592 1 429 . 1 1 112 112 GLU H H 1 8.720 0.02 . 1 . . . . 112 GLU H . 17592 1 430 . 1 1 112 112 GLU C C 13 174.200 0.3 . 1 . . . . 112 GLU C . 17592 1 431 . 1 1 112 112 GLU CA C 13 54.200 0.3 . 1 . . . . 112 GLU CA . 17592 1 432 . 1 1 112 112 GLU N N 15 116.200 0.3 . 1 . . . . 112 GLU N . 17592 1 433 . 1 1 113 113 ASN H H 1 7.100 0.02 . 1 . . . . 113 ASN H . 17592 1 434 . 1 1 113 113 ASN C C 13 177.400 0.3 . 1 . . . . 113 ASN C . 17592 1 435 . 1 1 113 113 ASN CA C 13 55.000 0.3 . 1 . . . . 113 ASN CA . 17592 1 436 . 1 1 113 113 ASN CB C 13 37.800 0.3 . 1 . . . . 113 ASN CB . 17592 1 437 . 1 1 113 113 ASN N N 15 121.100 0.3 . 1 . . . . 113 ASN N . 17592 1 438 . 1 1 114 114 ALA H H 1 8.780 0.02 . 1 . . . . 114 ALA H . 17592 1 439 . 1 1 114 114 ALA C C 13 173.100 0.3 . 1 . . . . 114 ALA C . 17592 1 440 . 1 1 114 114 ALA CA C 13 51.300 0.3 . 1 . . . . 114 ALA CA . 17592 1 441 . 1 1 114 114 ALA CB C 13 21.800 0.3 . 1 . . . . 114 ALA CB . 17592 1 442 . 1 1 114 114 ALA N N 15 136.000 0.3 . 1 . . . . 114 ALA N . 17592 1 443 . 1 1 115 115 LEU H H 1 7.670 0.02 . 1 . . . . 115 LEU H . 17592 1 444 . 1 1 115 115 LEU C C 13 173.300 0.3 . 1 . . . . 115 LEU C . 17592 1 445 . 1 1 115 115 LEU CA C 13 52.400 0.3 . 1 . . . . 115 LEU CA . 17592 1 446 . 1 1 115 115 LEU CB C 13 48.300 0.3 . 1 . . . . 115 LEU CB . 17592 1 447 . 1 1 115 115 LEU N N 15 121.600 0.3 . 1 . . . . 115 LEU N . 17592 1 448 . 1 1 116 116 LEU H H 1 7.970 0.02 . 1 . . . . 116 LEU H . 17592 1 449 . 1 1 116 116 LEU C C 13 175.800 0.3 . 1 . . . . 116 LEU C . 17592 1 450 . 1 1 116 116 LEU CA C 13 54.000 0.3 . 1 . . . . 116 LEU CA . 17592 1 451 . 1 1 116 116 LEU CB C 13 42.400 0.3 . 1 . . . . 116 LEU CB . 17592 1 452 . 1 1 116 116 LEU N N 15 112.900 0.3 . 1 . . . . 116 LEU N . 17592 1 453 . 1 1 117 117 SER H H 1 8.520 0.02 . 1 . . . . 117 SER H . 17592 1 454 . 1 1 117 117 SER C C 13 173.100 0.3 . 1 . . . . 117 SER C . 17592 1 455 . 1 1 117 117 SER CA C 13 57.800 0.3 . 1 . . . . 117 SER CA . 17592 1 456 . 1 1 117 117 SER CB C 13 67.500 0.3 . 1 . . . . 117 SER CB . 17592 1 457 . 1 1 117 117 SER N N 15 114.400 0.3 . 1 . . . . 117 SER N . 17592 1 458 . 1 1 118 118 THR H H 1 9.390 0.02 . 1 . . . . 118 THR H . 17592 1 459 . 1 1 118 118 THR C C 13 174.000 0.3 . 1 . . . . 118 THR C . 17592 1 460 . 1 1 118 118 THR CA C 13 60.100 0.3 . 1 . . . . 118 THR CA . 17592 1 461 . 1 1 118 118 THR CB C 13 70.400 0.3 . 1 . . . . 118 THR CB . 17592 1 462 . 1 1 118 118 THR N N 15 118.000 0.3 . 1 . . . . 118 THR N . 17592 1 463 . 1 1 119 119 ILE H H 1 8.260 0.02 . 1 . . . . 119 ILE H . 17592 1 464 . 1 1 119 119 ILE C C 13 177.800 0.3 . 1 . . . . 119 ILE C . 17592 1 465 . 1 1 119 119 ILE CA C 13 61.700 0.3 . 1 . . . . 119 ILE CA . 17592 1 466 . 1 1 119 119 ILE CB C 13 35.100 0.3 . 1 . . . . 119 ILE CB . 17592 1 467 . 1 1 119 119 ILE N N 15 133.200 0.3 . 1 . . . . 119 ILE N . 17592 1 468 . 1 1 120 120 ALA H H 1 8.440 0.02 . 1 . . . . 120 ALA H . 17592 1 469 . 1 1 120 120 ALA C C 13 174.100 0.3 . 1 . . . . 120 ALA C . 17592 1 470 . 1 1 120 120 ALA CA C 13 52.200 0.3 . 1 . . . . 120 ALA CA . 17592 1 471 . 1 1 120 120 ALA CB C 13 18.800 0.3 . 1 . . . . 120 ALA CB . 17592 1 472 . 1 1 120 120 ALA N N 15 131.600 0.3 . 1 . . . . 120 ALA N . 17592 1 473 . 1 1 121 121 TYR H H 1 8.780 0.02 . 1 . . . . 121 TYR H . 17592 1 474 . 1 1 121 121 TYR C C 13 174.000 0.3 . 1 . . . . 121 TYR C . 17592 1 475 . 1 1 121 121 TYR CA C 13 58.500 0.3 . 1 . . . . 121 TYR CA . 17592 1 476 . 1 1 121 121 TYR CB C 13 38.700 0.3 . 1 . . . . 121 TYR CB . 17592 1 477 . 1 1 121 121 TYR N N 15 117.100 0.3 . 1 . . . . 121 TYR N . 17592 1 478 . 1 1 122 122 ALA H H 1 7.560 0.02 . 1 . . . . 122 ALA H . 17592 1 479 . 1 1 122 122 ALA C C 13 175.600 0.3 . 1 . . . . 122 ALA C . 17592 1 480 . 1 1 122 122 ALA CA C 13 49.700 0.3 . 1 . . . . 122 ALA CA . 17592 1 481 . 1 1 122 122 ALA CB C 13 16.800 0.3 . 1 . . . . 122 ALA CB . 17592 1 482 . 1 1 122 122 ALA N N 15 132.100 0.3 . 1 . . . . 122 ALA N . 17592 1 483 . 1 1 123 123 ASN H H 1 8.070 0.02 . 1 . . . . 123 ASN H . 17592 1 484 . 1 1 123 123 ASN C C 13 174.700 0.3 . 1 . . . . 123 ASN C . 17592 1 485 . 1 1 123 123 ASN CA C 13 53.200 0.3 . 1 . . . . 123 ASN CA . 17592 1 486 . 1 1 123 123 ASN CB C 13 39.700 0.3 . 1 . . . . 123 ASN CB . 17592 1 487 . 1 1 123 123 ASN N N 15 120.900 0.3 . 1 . . . . 123 ASN N . 17592 1 488 . 1 1 124 124 THR H H 1 7.350 0.02 . 1 . . . . 124 THR H . 17592 1 489 . 1 1 124 124 THR C C 13 179.000 0.3 . 1 . . . . 124 THR C . 17592 1 490 . 1 1 124 124 THR CA C 13 62.800 0.3 . 1 . . . . 124 THR CA . 17592 1 491 . 1 1 124 124 THR CB C 13 70.500 0.3 . 1 . . . . 124 THR CB . 17592 1 492 . 1 1 124 124 THR N N 15 121.400 0.3 . 1 . . . . 124 THR N . 17592 1 stop_ save_