data_16578 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16578 _Entry.Title ; Solution NMR structure of the apo form of a ribonuclease H domain of protein DSY1790 from Desulfitobacterium hafniense, Northeast Structural Genomics target DhR1A. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-24 _Entry.Accession_date 2009-10-24 _Entry.Last_release_date 2012-08-03 _Entry.Original_release_date 2012-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Jeffrey Mills . L. . 16578 2 Alexander Eletsky . . . 16578 3 Jia Hua . . . 16578 4 Rachel Belote . L. . 16578 5 William Buchwald . A. . 16578 6 Colleen Ciccosanti . . . 16578 7 Haleema Janjua . . . 16578 8 R. Nair . . . 16578 9 B. Rost . . . 16578 10 T. Acton . B. . 16578 11 R. Xiao . . . 16578 12 J. Everett . K. . 16578 13 G. Montelione . T. . 16578 14 Thomas Szyperski . . . 16578 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' 'Northeast Structural Genomics Consortium' . 16578 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'apo enzyme' . 16578 NESG . 16578 'protein structure' . 16578 PSI . 16578 'Ribonuclease H' . 16578 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16578 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 394 16578 '15N chemical shifts' 132 16578 '1H chemical shifts' 838 16578 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-03 2009-10-24 original author . 16578 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KQ2 'BMRB Entry Tracking System' 16578 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16578 _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 'Solution NMR structure of the apo form of a ribonuclease H domain of protein DSY1790 from Desulfitobacterium hafniense, Northeast Structural Genomics target DhR1A.' _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 Jeffrey Mills . L. . 16578 1 2 Alexander Eletsky . . . 16578 1 3 Jia Hua . . . 16578 1 4 Rachel Belote . L. . 16578 1 5 William Buchwald . A. . 16578 1 6 Colleen Ciccosanti . . . 16578 1 7 Haleema Janjua . . . 16578 1 8 R. Nair . . . 16578 1 9 B. Rost . . . 16578 1 10 T. Acton . B. . 16578 1 11 R. Xiao . . . 16578 1 12 J. Everett . K. . 16578 1 13 G. Montelione . T. . 16578 1 14 Thomas Szyperski . . . 16578 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16578 _Assembly.ID 1 _Assembly.Name DSY1790 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DSY1790 1 $entity A . yes native no no . . . 16578 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16578 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DSY1790 _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 ; MDDRTEYDVYTDGSYVNGQY AWAYAFVKDGKVHYEDADVG KNPAAATMRNVAGEIAAALY AVKKASQLGVKIRILHDYAG IAFWATGEWKAKNEFTQAYA KLMNQYRGIYSFEKVKAHSG NEFNDYVDMKAKSALGIRDL EHHHHHH ; _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 147 _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 16692.779 _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 16807 . DhR1A . . . . . 100.00 147 100.00 100.00 7.25e-102 . . . . 16578 1 2 no PDB 2KQ2 . "Solution Nmr Structure Of The Apo Form Of A Ribonuclease H Domain Of Protein Dsy1790 From Desulfitobacterium Hafniense, Northea" . . . . . 100.00 147 100.00 100.00 7.25e-102 . . . . 16578 1 3 no PDB 2KW4 . "Solution Nmr Structure Of The Holo Form Of A Ribonuclease H From D.Hafniense, Northeast Structural Genomics Consortium Dhr1a" . . . . . 100.00 147 100.00 100.00 7.25e-102 . . . . 16578 1 4 no DBJ BAE83579 . "hypothetical protein [Desulfitobacterium hafniense Y51]" . . . . . 93.88 206 100.00 100.00 3.43e-93 . . . . 16578 1 5 no EMBL CDX01853 . "Caulimovirus viroplasmin [Desulfitobacterium hafniense]" . . . . . 93.88 206 100.00 100.00 3.43e-93 . . . . 16578 1 6 no GB ACL20967 . "ribonuclease H-related protein [Desulfitobacterium hafniense DCB-2]" . . . . . 93.88 206 100.00 100.00 3.43e-93 . . . . 16578 1 7 no GB EHL06967 . "hypothetical protein HMPREF0322_02380 [Desulfitobacterium hafniense DP7]" . . . . . 93.88 206 100.00 100.00 3.43e-93 . . . . 16578 1 8 no REF WP_005812143 . "double-stranded DNA-binding protein [Desulfitobacterium hafniense]" . . . . . 93.88 206 100.00 100.00 3.43e-93 . . . . 16578 1 9 no REF WP_018211583 . "double-stranded DNA-binding protein [Desulfitobacterium hafniense]" . . . . . 93.88 206 99.28 99.28 1.92e-92 . . . . 16578 1 10 no REF WP_019850577 . "ribonuclease [Desulfitobacterium sp. PCE1]" . . . . . 89.80 203 96.97 99.24 8.88e-86 . . . . 16578 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16578 1 2 . ASP . 16578 1 3 . ASP . 16578 1 4 . ARG . 16578 1 5 . THR . 16578 1 6 . GLU . 16578 1 7 . TYR . 16578 1 8 . ASP . 16578 1 9 . VAL . 16578 1 10 . TYR . 16578 1 11 . THR . 16578 1 12 . ASP . 16578 1 13 . GLY . 16578 1 14 . SER . 16578 1 15 . TYR . 16578 1 16 . VAL . 16578 1 17 . ASN . 16578 1 18 . GLY . 16578 1 19 . GLN . 16578 1 20 . TYR . 16578 1 21 . ALA . 16578 1 22 . TRP . 16578 1 23 . ALA . 16578 1 24 . TYR . 16578 1 25 . ALA . 16578 1 26 . PHE . 16578 1 27 . VAL . 16578 1 28 . LYS . 16578 1 29 . ASP . 16578 1 30 . GLY . 16578 1 31 . LYS . 16578 1 32 . VAL . 16578 1 33 . HIS . 16578 1 34 . TYR . 16578 1 35 . GLU . 16578 1 36 . ASP . 16578 1 37 . ALA . 16578 1 38 . ASP . 16578 1 39 . VAL . 16578 1 40 . GLY . 16578 1 41 . LYS . 16578 1 42 . ASN . 16578 1 43 . PRO . 16578 1 44 . ALA . 16578 1 45 . ALA . 16578 1 46 . ALA . 16578 1 47 . THR . 16578 1 48 . MET . 16578 1 49 . ARG . 16578 1 50 . ASN . 16578 1 51 . VAL . 16578 1 52 . ALA . 16578 1 53 . GLY . 16578 1 54 . GLU . 16578 1 55 . ILE . 16578 1 56 . ALA . 16578 1 57 . ALA . 16578 1 58 . ALA . 16578 1 59 . LEU . 16578 1 60 . TYR . 16578 1 61 . ALA . 16578 1 62 . VAL . 16578 1 63 . LYS . 16578 1 64 . LYS . 16578 1 65 . ALA . 16578 1 66 . SER . 16578 1 67 . GLN . 16578 1 68 . LEU . 16578 1 69 . GLY . 16578 1 70 . VAL . 16578 1 71 . LYS . 16578 1 72 . ILE . 16578 1 73 . ARG . 16578 1 74 . ILE . 16578 1 75 . LEU . 16578 1 76 . HIS . 16578 1 77 . ASP . 16578 1 78 . TYR . 16578 1 79 . ALA . 16578 1 80 . GLY . 16578 1 81 . ILE . 16578 1 82 . ALA . 16578 1 83 . PHE . 16578 1 84 . TRP . 16578 1 85 . ALA . 16578 1 86 . THR . 16578 1 87 . GLY . 16578 1 88 . GLU . 16578 1 89 . TRP . 16578 1 90 . LYS . 16578 1 91 . ALA . 16578 1 92 . LYS . 16578 1 93 . ASN . 16578 1 94 . GLU . 16578 1 95 . PHE . 16578 1 96 . THR . 16578 1 97 . GLN . 16578 1 98 . ALA . 16578 1 99 . TYR . 16578 1 100 . ALA . 16578 1 101 . LYS . 16578 1 102 . LEU . 16578 1 103 . MET . 16578 1 104 . ASN . 16578 1 105 . GLN . 16578 1 106 . TYR . 16578 1 107 . ARG . 16578 1 108 . GLY . 16578 1 109 . ILE . 16578 1 110 . TYR . 16578 1 111 . SER . 16578 1 112 . PHE . 16578 1 113 . GLU . 16578 1 114 . LYS . 16578 1 115 . VAL . 16578 1 116 . LYS . 16578 1 117 . ALA . 16578 1 118 . HIS . 16578 1 119 . SER . 16578 1 120 . GLY . 16578 1 121 . ASN . 16578 1 122 . GLU . 16578 1 123 . PHE . 16578 1 124 . ASN . 16578 1 125 . ASP . 16578 1 126 . TYR . 16578 1 127 . VAL . 16578 1 128 . ASP . 16578 1 129 . MET . 16578 1 130 . LYS . 16578 1 131 . ALA . 16578 1 132 . LYS . 16578 1 133 . SER . 16578 1 134 . ALA . 16578 1 135 . LEU . 16578 1 136 . GLY . 16578 1 137 . ILE . 16578 1 138 . ARG . 16578 1 139 . ASP . 16578 1 140 . LEU . 16578 1 141 . GLU . 16578 1 142 . HIS . 16578 1 143 . HIS . 16578 1 144 . HIS . 16578 1 145 . HIS . 16578 1 146 . HIS . 16578 1 147 . HIS . 16578 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 16578 1 . ASP 2 2 16578 1 . ASP 3 3 16578 1 . ARG 4 4 16578 1 . THR 5 5 16578 1 . GLU 6 6 16578 1 . TYR 7 7 16578 1 . ASP 8 8 16578 1 . VAL 9 9 16578 1 . TYR 10 10 16578 1 . THR 11 11 16578 1 . ASP 12 12 16578 1 . GLY 13 13 16578 1 . SER 14 14 16578 1 . TYR 15 15 16578 1 . VAL 16 16 16578 1 . ASN 17 17 16578 1 . GLY 18 18 16578 1 . GLN 19 19 16578 1 . TYR 20 20 16578 1 . ALA 21 21 16578 1 . TRP 22 22 16578 1 . ALA 23 23 16578 1 . TYR 24 24 16578 1 . ALA 25 25 16578 1 . PHE 26 26 16578 1 . VAL 27 27 16578 1 . LYS 28 28 16578 1 . ASP 29 29 16578 1 . GLY 30 30 16578 1 . LYS 31 31 16578 1 . VAL 32 32 16578 1 . HIS 33 33 16578 1 . TYR 34 34 16578 1 . GLU 35 35 16578 1 . ASP 36 36 16578 1 . ALA 37 37 16578 1 . ASP 38 38 16578 1 . VAL 39 39 16578 1 . GLY 40 40 16578 1 . LYS 41 41 16578 1 . ASN 42 42 16578 1 . PRO 43 43 16578 1 . ALA 44 44 16578 1 . ALA 45 45 16578 1 . ALA 46 46 16578 1 . THR 47 47 16578 1 . MET 48 48 16578 1 . ARG 49 49 16578 1 . ASN 50 50 16578 1 . VAL 51 51 16578 1 . ALA 52 52 16578 1 . GLY 53 53 16578 1 . GLU 54 54 16578 1 . ILE 55 55 16578 1 . ALA 56 56 16578 1 . ALA 57 57 16578 1 . ALA 58 58 16578 1 . LEU 59 59 16578 1 . TYR 60 60 16578 1 . ALA 61 61 16578 1 . VAL 62 62 16578 1 . LYS 63 63 16578 1 . LYS 64 64 16578 1 . ALA 65 65 16578 1 . SER 66 66 16578 1 . GLN 67 67 16578 1 . LEU 68 68 16578 1 . GLY 69 69 16578 1 . VAL 70 70 16578 1 . LYS 71 71 16578 1 . ILE 72 72 16578 1 . ARG 73 73 16578 1 . ILE 74 74 16578 1 . LEU 75 75 16578 1 . HIS 76 76 16578 1 . ASP 77 77 16578 1 . TYR 78 78 16578 1 . ALA 79 79 16578 1 . GLY 80 80 16578 1 . ILE 81 81 16578 1 . ALA 82 82 16578 1 . PHE 83 83 16578 1 . TRP 84 84 16578 1 . ALA 85 85 16578 1 . THR 86 86 16578 1 . GLY 87 87 16578 1 . GLU 88 88 16578 1 . TRP 89 89 16578 1 . LYS 90 90 16578 1 . ALA 91 91 16578 1 . LYS 92 92 16578 1 . ASN 93 93 16578 1 . GLU 94 94 16578 1 . PHE 95 95 16578 1 . THR 96 96 16578 1 . GLN 97 97 16578 1 . ALA 98 98 16578 1 . TYR 99 99 16578 1 . ALA 100 100 16578 1 . LYS 101 101 16578 1 . LEU 102 102 16578 1 . MET 103 103 16578 1 . ASN 104 104 16578 1 . GLN 105 105 16578 1 . TYR 106 106 16578 1 . ARG 107 107 16578 1 . GLY 108 108 16578 1 . ILE 109 109 16578 1 . TYR 110 110 16578 1 . SER 111 111 16578 1 . PHE 112 112 16578 1 . GLU 113 113 16578 1 . LYS 114 114 16578 1 . VAL 115 115 16578 1 . LYS 116 116 16578 1 . ALA 117 117 16578 1 . HIS 118 118 16578 1 . SER 119 119 16578 1 . GLY 120 120 16578 1 . ASN 121 121 16578 1 . GLU 122 122 16578 1 . PHE 123 123 16578 1 . ASN 124 124 16578 1 . ASP 125 125 16578 1 . TYR 126 126 16578 1 . VAL 127 127 16578 1 . ASP 128 128 16578 1 . MET 129 129 16578 1 . LYS 130 130 16578 1 . ALA 131 131 16578 1 . LYS 132 132 16578 1 . SER 133 133 16578 1 . ALA 134 134 16578 1 . LEU 135 135 16578 1 . GLY 136 136 16578 1 . ILE 137 137 16578 1 . ARG 138 138 16578 1 . ASP 139 139 16578 1 . LEU 140 140 16578 1 . GLU 141 141 16578 1 . HIS 142 142 16578 1 . HIS 143 143 16578 1 . HIS 144 144 16578 1 . HIS 145 145 16578 1 . HIS 146 146 16578 1 . HIS 147 147 16578 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16578 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 49338 organism . 'Desulfitobacterium hafniense' 'Desulfitobacterium hafniense' . . Eubacteria . Desulfitobacterium hafniense . . . . . . . . . . . . . . . . . . . . . 16578 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 16578 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3)+ Magic' . . . . . . . . . . . . . . . 'pET 21-23C' . . . . . . 16578 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Sample.Sf_category sample _Sample.Sf_framecode NC _Sample.Entry_ID 16578 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DhR1A '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.89 . . mM . . . . 16578 1 2 D2O [U-2H] . . . . . . 10 . . v/v . . . . 16578 1 3 H2O 'natural abundance' . . . . . . 90 . . v/v . . . . 16578 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16578 1 5 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16578 1 6 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16578 1 7 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16578 1 8 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16578 1 9 'sodium azide' 'natural abundance' . . . . . . 0.02 . . w/v . . . . 16578 1 stop_ save_ save_NC5 _Sample.Sf_category sample _Sample.Sf_framecode NC5 _Sample.Entry_ID 16578 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DhR1A '[U-5% 13C; U-99% 15N]' . . 1 $entity . . 0.943 . . mM . . . . 16578 2 2 D2O [U-2H] . . . . . . 10 . . v/v . . . . 16578 2 3 H2O 'natural abundance' . . . . . . 90 . . v/v . . . . 16578 2 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16578 2 5 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16578 2 6 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16578 2 7 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16578 2 8 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16578 2 9 'sodium azide' 'natural abundance' . . . . . . 0.02 . . w/v . . . . 16578 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 16578 _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' 430 . mM 16578 1 pH 6.5 . pH 16578 1 pressure 1 . atm 16578 1 temperature 298 . K 16578 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16578 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16578 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16578 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16578 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16578 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16578 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16578 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16578 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16578 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16578 _Software.ID 4 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16578 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16578 4 'data analysis' 16578 4 'peak picking' 16578 4 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 16578 _Software.ID 5 _Software.Name SPSCAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Glaser . . 16578 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16578 5 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16578 _Software.ID 6 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16578 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16578 6 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 16578 _Software.ID 7 _Software.Name CSI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wishart and Sykes' . . 16578 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16578 7 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16578 _Software.ID 8 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16578 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16578 8 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16578 _Software.ID 9 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 16578 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16578 9 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16578 _Software.ID 10 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16578 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16578 10 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16578 _Software.ID 11 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16578 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16578 11 refinement 16578 11 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16578 _Software.ID 12 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16578 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16578 12 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 16578 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _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 16578 _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 16578 _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 Varian UnityPlus . 600 . . . 16578 1 2 spectrometer_2 Bruker Avance . 800 . . . 16578 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 16578 _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 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16578 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16578 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $NC5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16578 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16578 1 5 '3D HNCO' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16578 1 6 '3D HNCACB' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16578 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16578 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16578 1 9 '3D simultaneous NOESY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16578 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 16578 _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 . . . . . . . . . 16578 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16578 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16578 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 16578 _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 9 '3D simultaneous NOESY' . . . 16578 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $XEASY . . 16578 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 3 3 ASP H H 1 8.390 0.020 . 1 . . . . 3 ASP H . 16578 1 2 . 1 1 3 3 ASP HA H 1 4.559 0.020 . 1 . . . . 3 ASP HA . 16578 1 3 . 1 1 3 3 ASP HB2 H 1 2.632 0.020 . 2 . . . . 3 ASP HB2 . 16578 1 4 . 1 1 3 3 ASP HB3 H 1 2.612 0.020 . 2 . . . . 3 ASP HB3 . 16578 1 5 . 1 1 3 3 ASP CA C 13 53.932 0.400 . 1 . . . . 3 ASP CA . 16578 1 6 . 1 1 3 3 ASP CB C 13 41.013 0.400 . 1 . . . . 3 ASP CB . 16578 1 7 . 1 1 3 3 ASP N N 15 121.740 0.400 . 1 . . . . 3 ASP N . 16578 1 8 . 1 1 4 4 ARG H H 1 8.160 0.020 . 1 . . . . 4 ARG H . 16578 1 9 . 1 1 4 4 ARG HA H 1 4.337 0.020 . 1 . . . . 4 ARG HA . 16578 1 10 . 1 1 4 4 ARG HB2 H 1 1.752 0.020 . 2 . . . . 4 ARG HB2 . 16578 1 11 . 1 1 4 4 ARG HB3 H 1 1.742 0.020 . 2 . . . . 4 ARG HB3 . 16578 1 12 . 1 1 4 4 ARG HD2 H 1 3.148 0.020 . 2 . . . . 4 ARG HD2 . 16578 1 13 . 1 1 4 4 ARG HD3 H 1 3.144 0.020 . 2 . . . . 4 ARG HD3 . 16578 1 14 . 1 1 4 4 ARG HG2 H 1 1.608 0.020 . 2 . . . . 4 ARG HG2 . 16578 1 15 . 1 1 4 4 ARG HG3 H 1 1.580 0.020 . 2 . . . . 4 ARG HG3 . 16578 1 16 . 1 1 4 4 ARG CA C 13 56.055 0.400 . 1 . . . . 4 ARG CA . 16578 1 17 . 1 1 4 4 ARG CB C 13 30.901 0.400 . 1 . . . . 4 ARG CB . 16578 1 18 . 1 1 4 4 ARG CD C 13 43.100 0.400 . 1 . . . . 4 ARG CD . 16578 1 19 . 1 1 4 4 ARG CG C 13 26.772 0.400 . 1 . . . . 4 ARG CG . 16578 1 20 . 1 1 4 4 ARG N N 15 120.325 0.400 . 1 . . . . 4 ARG N . 16578 1 21 . 1 1 5 5 THR H H 1 8.308 0.020 . 1 . . . . 5 THR H . 16578 1 22 . 1 1 5 5 THR HA H 1 3.939 0.020 . 1 . . . . 5 THR HA . 16578 1 23 . 1 1 5 5 THR HB H 1 3.963 0.020 . 1 . . . . 5 THR HB . 16578 1 24 . 1 1 5 5 THR HG21 H 1 0.902 0.020 . 1 . . . . 5 THR HG2 . 16578 1 25 . 1 1 5 5 THR HG22 H 1 0.902 0.020 . 1 . . . . 5 THR HG2 . 16578 1 26 . 1 1 5 5 THR HG23 H 1 0.902 0.020 . 1 . . . . 5 THR HG2 . 16578 1 27 . 1 1 5 5 THR CA C 13 62.544 0.400 . 1 . . . . 5 THR CA . 16578 1 28 . 1 1 5 5 THR CB C 13 69.372 0.400 . 1 . . . . 5 THR CB . 16578 1 29 . 1 1 5 5 THR CG2 C 13 21.971 0.400 . 1 . . . . 5 THR CG2 . 16578 1 30 . 1 1 5 5 THR N N 15 117.007 0.400 . 1 . . . . 5 THR N . 16578 1 31 . 1 1 6 6 GLU H H 1 8.210 0.020 . 1 . . . . 6 GLU H . 16578 1 32 . 1 1 6 6 GLU HA H 1 3.952 0.020 . 1 . . . . 6 GLU HA . 16578 1 33 . 1 1 6 6 GLU HB2 H 1 1.622 0.020 . 2 . . . . 6 GLU HB2 . 16578 1 34 . 1 1 6 6 GLU HB3 H 1 1.619 0.020 . 2 . . . . 6 GLU HB3 . 16578 1 35 . 1 1 6 6 GLU HG2 H 1 1.745 0.020 . 2 . . . . 6 GLU HG2 . 16578 1 36 . 1 1 6 6 GLU HG3 H 1 1.726 0.020 . 2 . . . . 6 GLU HG3 . 16578 1 37 . 1 1 6 6 GLU CA C 13 54.957 0.400 . 1 . . . . 6 GLU CA . 16578 1 38 . 1 1 6 6 GLU CB C 13 30.906 0.400 . 1 . . . . 6 GLU CB . 16578 1 39 . 1 1 6 6 GLU CG C 13 36.402 0.400 . 1 . . . . 6 GLU CG . 16578 1 40 . 1 1 6 6 GLU N N 15 124.883 0.400 . 1 . . . . 6 GLU N . 16578 1 41 . 1 1 7 7 TYR H H 1 7.727 0.020 . 1 . . . . 7 TYR H . 16578 1 42 . 1 1 7 7 TYR HA H 1 4.667 0.020 . 1 . . . . 7 TYR HA . 16578 1 43 . 1 1 7 7 TYR HB2 H 1 2.849 0.020 . 2 . . . . 7 TYR HB2 . 16578 1 44 . 1 1 7 7 TYR HB3 H 1 2.812 0.020 . 2 . . . . 7 TYR HB3 . 16578 1 45 . 1 1 7 7 TYR HD1 H 1 6.905 0.020 . 1 . . . . 7 TYR HD1 . 16578 1 46 . 1 1 7 7 TYR HD2 H 1 6.905 0.020 . 1 . . . . 7 TYR HD2 . 16578 1 47 . 1 1 7 7 TYR HE1 H 1 6.537 0.020 . 1 . . . . 7 TYR HE1 . 16578 1 48 . 1 1 7 7 TYR HE2 H 1 6.537 0.020 . 1 . . . . 7 TYR HE2 . 16578 1 49 . 1 1 7 7 TYR CA C 13 57.057 0.400 . 1 . . . . 7 TYR CA . 16578 1 50 . 1 1 7 7 TYR CB C 13 41.899 0.400 . 1 . . . . 7 TYR CB . 16578 1 51 . 1 1 7 7 TYR CD1 C 13 132.690 0.400 . 1 . . . . 7 TYR CD1 . 16578 1 52 . 1 1 7 7 TYR CE1 C 13 117.810 0.400 . 1 . . . . 7 TYR CE1 . 16578 1 53 . 1 1 7 7 TYR N N 15 116.418 0.400 . 1 . . . . 7 TYR N . 16578 1 54 . 1 1 8 8 ASP H H 1 8.485 0.020 . 1 . . . . 8 ASP H . 16578 1 55 . 1 1 8 8 ASP HA H 1 5.203 0.020 . 1 . . . . 8 ASP HA . 16578 1 56 . 1 1 8 8 ASP HB2 H 1 2.276 0.020 . 2 . . . . 8 ASP HB2 . 16578 1 57 . 1 1 8 8 ASP HB3 H 1 2.275 0.020 . 2 . . . . 8 ASP HB3 . 16578 1 58 . 1 1 8 8 ASP CA C 13 53.648 0.400 . 1 . . . . 8 ASP CA . 16578 1 59 . 1 1 8 8 ASP CB C 13 42.048 0.400 . 1 . . . . 8 ASP CB . 16578 1 60 . 1 1 8 8 ASP N N 15 122.331 0.400 . 1 . . . . 8 ASP N . 16578 1 61 . 1 1 9 9 VAL H H 1 9.411 0.020 . 1 . . . . 9 VAL H . 16578 1 62 . 1 1 9 9 VAL HA H 1 5.177 0.020 . 1 . . . . 9 VAL HA . 16578 1 63 . 1 1 9 9 VAL HB H 1 1.527 0.020 . 1 . . . . 9 VAL HB . 16578 1 64 . 1 1 9 9 VAL HG11 H 1 0.604 0.020 . 1 . . . . 9 VAL HG1 . 16578 1 65 . 1 1 9 9 VAL HG12 H 1 0.604 0.020 . 1 . . . . 9 VAL HG1 . 16578 1 66 . 1 1 9 9 VAL HG13 H 1 0.604 0.020 . 1 . . . . 9 VAL HG1 . 16578 1 67 . 1 1 9 9 VAL HG21 H 1 -0.169 0.020 . 1 . . . . 9 VAL HG2 . 16578 1 68 . 1 1 9 9 VAL HG22 H 1 -0.169 0.020 . 1 . . . . 9 VAL HG2 . 16578 1 69 . 1 1 9 9 VAL HG23 H 1 -0.169 0.020 . 1 . . . . 9 VAL HG2 . 16578 1 70 . 1 1 9 9 VAL CA C 13 60.502 0.400 . 1 . . . . 9 VAL CA . 16578 1 71 . 1 1 9 9 VAL CB C 13 32.968 0.400 . 1 . . . . 9 VAL CB . 16578 1 72 . 1 1 9 9 VAL CG1 C 13 21.312 0.400 . 1 . . . . 9 VAL CG1 . 16578 1 73 . 1 1 9 9 VAL CG2 C 13 21.957 0.400 . 1 . . . . 9 VAL CG2 . 16578 1 74 . 1 1 9 9 VAL N N 15 123.663 0.400 . 1 . . . . 9 VAL N . 16578 1 75 . 1 1 10 10 TYR H H 1 8.891 0.020 . 1 . . . . 10 TYR H . 16578 1 76 . 1 1 10 10 TYR HA H 1 4.820 0.020 . 1 . . . . 10 TYR HA . 16578 1 77 . 1 1 10 10 TYR HB2 H 1 3.062 0.020 . 2 . . . . 10 TYR HB2 . 16578 1 78 . 1 1 10 10 TYR HB3 H 1 2.894 0.020 . 2 . . . . 10 TYR HB3 . 16578 1 79 . 1 1 10 10 TYR HD1 H 1 7.109 0.020 . 1 . . . . 10 TYR HD1 . 16578 1 80 . 1 1 10 10 TYR HD2 H 1 7.109 0.020 . 1 . . . . 10 TYR HD2 . 16578 1 81 . 1 1 10 10 TYR HE1 H 1 6.659 0.020 . 1 . . . . 10 TYR HE1 . 16578 1 82 . 1 1 10 10 TYR HE2 H 1 6.659 0.020 . 1 . . . . 10 TYR HE2 . 16578 1 83 . 1 1 10 10 TYR CA C 13 57.962 0.400 . 1 . . . . 10 TYR CA . 16578 1 84 . 1 1 10 10 TYR CB C 13 40.288 0.400 . 1 . . . . 10 TYR CB . 16578 1 85 . 1 1 10 10 TYR CD1 C 13 132.682 0.400 . 1 . . . . 10 TYR CD1 . 16578 1 86 . 1 1 10 10 TYR CE1 C 13 116.876 0.400 . 1 . . . . 10 TYR CE1 . 16578 1 87 . 1 1 10 10 TYR N N 15 128.243 0.400 . 1 . . . . 10 TYR N . 16578 1 88 . 1 1 11 11 THR H H 1 8.501 0.020 . 1 . . . . 11 THR H . 16578 1 89 . 1 1 11 11 THR N N 15 110.793 0.400 . 1 . . . . 11 THR N . 16578 1 90 . 1 1 12 12 ASP H H 1 8.807 0.020 . 1 . . . . 12 ASP H . 16578 1 91 . 1 1 12 12 ASP HA H 1 4.356 0.020 . 1 . . . . 12 ASP HA . 16578 1 92 . 1 1 12 12 ASP HB2 H 1 2.740 0.020 . 2 . . . . 12 ASP HB2 . 16578 1 93 . 1 1 12 12 ASP HB3 H 1 2.700 0.020 . 2 . . . . 12 ASP HB3 . 16578 1 94 . 1 1 12 12 ASP CA C 13 54.008 0.400 . 1 . . . . 12 ASP CA . 16578 1 95 . 1 1 12 12 ASP CB C 13 45.048 0.400 . 1 . . . . 12 ASP CB . 16578 1 96 . 1 1 12 12 ASP N N 15 117.437 0.400 . 1 . . . . 12 ASP N . 16578 1 97 . 1 1 15 15 TYR HA H 1 5.464 0.020 . 1 . . . . 15 TYR HA . 16578 1 98 . 1 1 15 15 TYR HB2 H 1 2.822 0.020 . 2 . . . . 15 TYR HB2 . 16578 1 99 . 1 1 15 15 TYR HB3 H 1 2.786 0.020 . 2 . . . . 15 TYR HB3 . 16578 1 100 . 1 1 15 15 TYR HD1 H 1 6.926 0.020 . 1 . . . . 15 TYR HD1 . 16578 1 101 . 1 1 15 15 TYR HD2 H 1 6.926 0.020 . 1 . . . . 15 TYR HD2 . 16578 1 102 . 1 1 15 15 TYR CA C 13 57.554 0.400 . 1 . . . . 15 TYR CA . 16578 1 103 . 1 1 15 15 TYR CB C 13 41.692 0.400 . 1 . . . . 15 TYR CB . 16578 1 104 . 1 1 15 15 TYR CD1 C 13 133.372 0.400 . 1 . . . . 15 TYR CD1 . 16578 1 105 . 1 1 16 16 VAL H H 1 8.206 0.020 . 1 . . . . 16 VAL H . 16578 1 106 . 1 1 16 16 VAL HA H 1 3.893 0.020 . 1 . . . . 16 VAL HA . 16578 1 107 . 1 1 16 16 VAL HB H 1 2.062 0.020 . 1 . . . . 16 VAL HB . 16578 1 108 . 1 1 16 16 VAL HG11 H 1 0.896 0.020 . 1 . . . . 16 VAL HG1 . 16578 1 109 . 1 1 16 16 VAL HG12 H 1 0.896 0.020 . 1 . . . . 16 VAL HG1 . 16578 1 110 . 1 1 16 16 VAL HG13 H 1 0.896 0.020 . 1 . . . . 16 VAL HG1 . 16578 1 111 . 1 1 16 16 VAL HG21 H 1 0.778 0.020 . 1 . . . . 16 VAL HG2 . 16578 1 112 . 1 1 16 16 VAL HG22 H 1 0.778 0.020 . 1 . . . . 16 VAL HG2 . 16578 1 113 . 1 1 16 16 VAL HG23 H 1 0.778 0.020 . 1 . . . . 16 VAL HG2 . 16578 1 114 . 1 1 16 16 VAL CA C 13 61.728 0.400 . 1 . . . . 16 VAL CA . 16578 1 115 . 1 1 16 16 VAL CB C 13 34.537 0.400 . 1 . . . . 16 VAL CB . 16578 1 116 . 1 1 16 16 VAL CG1 C 13 21.380 0.400 . 1 . . . . 16 VAL CG1 . 16578 1 117 . 1 1 16 16 VAL CG2 C 13 20.260 0.400 . 1 . . . . 16 VAL CG2 . 16578 1 118 . 1 1 16 16 VAL N N 15 125.294 0.400 . 1 . . . . 16 VAL N . 16578 1 119 . 1 1 17 17 ASN H H 1 9.030 0.020 . 1 . . . . 17 ASN H . 16578 1 120 . 1 1 17 17 ASN HA H 1 4.306 0.020 . 1 . . . . 17 ASN HA . 16578 1 121 . 1 1 17 17 ASN HB2 H 1 2.990 0.020 . 2 . . . . 17 ASN HB2 . 16578 1 122 . 1 1 17 17 ASN HB3 H 1 2.576 0.020 . 2 . . . . 17 ASN HB3 . 16578 1 123 . 1 1 17 17 ASN HD21 H 1 7.612 0.020 . 1 . . . . 17 ASN HD21 . 16578 1 124 . 1 1 17 17 ASN HD22 H 1 6.851 0.020 . 1 . . . . 17 ASN HD22 . 16578 1 125 . 1 1 17 17 ASN CA C 13 53.601 0.400 . 1 . . . . 17 ASN CA . 16578 1 126 . 1 1 17 17 ASN CB C 13 37.769 0.400 . 1 . . . . 17 ASN CB . 16578 1 127 . 1 1 17 17 ASN N N 15 124.047 0.400 . 1 . . . . 17 ASN N . 16578 1 128 . 1 1 17 17 ASN ND2 N 15 112.461 0.400 . 1 . . . . 17 ASN ND2 . 16578 1 129 . 1 1 18 18 GLY H H 1 7.001 0.020 . 1 . . . . 18 GLY H . 16578 1 130 . 1 1 18 18 GLY HA2 H 1 4.154 0.020 . 2 . . . . 18 GLY HA2 . 16578 1 131 . 1 1 18 18 GLY HA3 H 1 3.837 0.020 . 2 . . . . 18 GLY HA3 . 16578 1 132 . 1 1 18 18 GLY CA C 13 45.528 0.400 . 1 . . . . 18 GLY CA . 16578 1 133 . 1 1 18 18 GLY N N 15 101.688 0.400 . 1 . . . . 18 GLY N . 16578 1 134 . 1 1 19 19 GLN H H 1 7.574 0.020 . 1 . . . . 19 GLN H . 16578 1 135 . 1 1 19 19 GLN HA H 1 4.786 0.020 . 1 . . . . 19 GLN HA . 16578 1 136 . 1 1 19 19 GLN HB2 H 1 1.890 0.020 . 2 . . . . 19 GLN HB2 . 16578 1 137 . 1 1 19 19 GLN HB3 H 1 1.794 0.020 . 2 . . . . 19 GLN HB3 . 16578 1 138 . 1 1 19 19 GLN HE21 H 1 7.170 0.020 . 2 . . . . 19 GLN HE21 . 16578 1 139 . 1 1 19 19 GLN HE22 H 1 7.070 0.020 . 2 . . . . 19 GLN HE22 . 16578 1 140 . 1 1 19 19 GLN HG2 H 1 2.233 0.020 . 2 . . . . 19 GLN HG2 . 16578 1 141 . 1 1 19 19 GLN HG3 H 1 2.096 0.020 . 2 . . . . 19 GLN HG3 . 16578 1 142 . 1 1 19 19 GLN CA C 13 53.934 0.400 . 1 . . . . 19 GLN CA . 16578 1 143 . 1 1 19 19 GLN CB C 13 32.278 0.400 . 1 . . . . 19 GLN CB . 16578 1 144 . 1 1 19 19 GLN CG C 13 33.716 0.400 . 1 . . . . 19 GLN CG . 16578 1 145 . 1 1 19 19 GLN N N 15 119.079 0.400 . 1 . . . . 19 GLN N . 16578 1 146 . 1 1 20 20 TYR H H 1 8.548 0.020 . 1 . . . . 20 TYR H . 16578 1 147 . 1 1 20 20 TYR HA H 1 5.871 0.020 . 1 . . . . 20 TYR HA . 16578 1 148 . 1 1 20 20 TYR HB2 H 1 3.275 0.020 . 2 . . . . 20 TYR HB2 . 16578 1 149 . 1 1 20 20 TYR HB3 H 1 2.909 0.020 . 2 . . . . 20 TYR HB3 . 16578 1 150 . 1 1 20 20 TYR HD1 H 1 6.933 0.020 . 1 . . . . 20 TYR HD1 . 16578 1 151 . 1 1 20 20 TYR HD2 H 1 6.933 0.020 . 1 . . . . 20 TYR HD2 . 16578 1 152 . 1 1 20 20 TYR HE1 H 1 6.681 0.020 . 1 . . . . 20 TYR HE1 . 16578 1 153 . 1 1 20 20 TYR HE2 H 1 6.681 0.020 . 1 . . . . 20 TYR HE2 . 16578 1 154 . 1 1 20 20 TYR CA C 13 54.464 0.400 . 1 . . . . 20 TYR CA . 16578 1 155 . 1 1 20 20 TYR CB C 13 42.448 0.400 . 1 . . . . 20 TYR CB . 16578 1 156 . 1 1 20 20 TYR CD1 C 13 133.361 0.400 . 1 . . . . 20 TYR CD1 . 16578 1 157 . 1 1 20 20 TYR CE1 C 13 117.810 0.400 . 1 . . . . 20 TYR CE1 . 16578 1 158 . 1 1 20 20 TYR N N 15 117.009 0.400 . 1 . . . . 20 TYR N . 16578 1 159 . 1 1 21 21 ALA H H 1 8.880 0.020 . 1 . . . . 21 ALA H . 16578 1 160 . 1 1 21 21 ALA HA H 1 5.125 0.020 . 1 . . . . 21 ALA HA . 16578 1 161 . 1 1 21 21 ALA HB1 H 1 1.221 0.020 . 1 . . . . 21 ALA HB . 16578 1 162 . 1 1 21 21 ALA HB2 H 1 1.221 0.020 . 1 . . . . 21 ALA HB . 16578 1 163 . 1 1 21 21 ALA HB3 H 1 1.221 0.020 . 1 . . . . 21 ALA HB . 16578 1 164 . 1 1 21 21 ALA CA C 13 50.155 0.400 . 1 . . . . 21 ALA CA . 16578 1 165 . 1 1 21 21 ALA CB C 13 24.713 0.400 . 1 . . . . 21 ALA CB . 16578 1 166 . 1 1 21 21 ALA N N 15 120.546 0.400 . 1 . . . . 21 ALA N . 16578 1 167 . 1 1 22 22 TRP H H 1 8.547 0.020 . 1 . . . . 22 TRP H . 16578 1 168 . 1 1 22 22 TRP HA H 1 5.718 0.020 . 1 . . . . 22 TRP HA . 16578 1 169 . 1 1 22 22 TRP HB2 H 1 3.686 0.020 . 2 . . . . 22 TRP HB2 . 16578 1 170 . 1 1 22 22 TRP HB3 H 1 3.668 0.020 . 2 . . . . 22 TRP HB3 . 16578 1 171 . 1 1 22 22 TRP HD1 H 1 6.706 0.020 . 1 . . . . 22 TRP HD1 . 16578 1 172 . 1 1 22 22 TRP HE1 H 1 10.333 0.020 . 1 . . . . 22 TRP HE1 . 16578 1 173 . 1 1 22 22 TRP HZ2 H 1 6.726 0.020 . 1 . . . . 22 TRP HZ2 . 16578 1 174 . 1 1 22 22 TRP CA C 13 52.266 0.400 . 1 . . . . 22 TRP CA . 16578 1 175 . 1 1 22 22 TRP CB C 13 32.595 0.400 . 1 . . . . 22 TRP CB . 16578 1 176 . 1 1 22 22 TRP CD1 C 13 125.931 0.400 . 1 . . . . 22 TRP CD1 . 16578 1 177 . 1 1 22 22 TRP CZ2 C 13 115.516 0.400 . 1 . . . . 22 TRP CZ2 . 16578 1 178 . 1 1 22 22 TRP N N 15 118.189 0.400 . 1 . . . . 22 TRP N . 16578 1 179 . 1 1 22 22 TRP NE1 N 15 129.433 0.400 . 1 . . . . 22 TRP NE1 . 16578 1 180 . 1 1 23 23 ALA H H 1 8.417 0.020 . 1 . . . . 23 ALA H . 16578 1 181 . 1 1 23 23 ALA HA H 1 5.144 0.020 . 1 . . . . 23 ALA HA . 16578 1 182 . 1 1 23 23 ALA HB1 H 1 1.340 0.020 . 1 . . . . 23 ALA HB . 16578 1 183 . 1 1 23 23 ALA HB2 H 1 1.340 0.020 . 1 . . . . 23 ALA HB . 16578 1 184 . 1 1 23 23 ALA HB3 H 1 1.340 0.020 . 1 . . . . 23 ALA HB . 16578 1 185 . 1 1 23 23 ALA CA C 13 52.222 0.400 . 1 . . . . 23 ALA CA . 16578 1 186 . 1 1 23 23 ALA CB C 13 24.712 0.400 . 1 . . . . 23 ALA CB . 16578 1 187 . 1 1 23 23 ALA N N 15 115.779 0.400 . 1 . . . . 23 ALA N . 16578 1 188 . 1 1 24 24 TYR H H 1 8.621 0.020 . 1 . . . . 24 TYR H . 16578 1 189 . 1 1 24 24 TYR HA H 1 6.291 0.020 . 1 . . . . 24 TYR HA . 16578 1 190 . 1 1 24 24 TYR HB2 H 1 3.312 0.020 . 2 . . . . 24 TYR HB2 . 16578 1 191 . 1 1 24 24 TYR HB3 H 1 3.284 0.020 . 2 . . . . 24 TYR HB3 . 16578 1 192 . 1 1 24 24 TYR CA C 13 55.658 0.400 . 1 . . . . 24 TYR CA . 16578 1 193 . 1 1 24 24 TYR CB C 13 42.594 0.400 . 1 . . . . 24 TYR CB . 16578 1 194 . 1 1 24 24 TYR N N 15 113.719 0.400 . 1 . . . . 24 TYR N . 16578 1 195 . 1 1 25 25 ALA H H 1 8.886 0.020 . 1 . . . . 25 ALA H . 16578 1 196 . 1 1 25 25 ALA HA H 1 5.482 0.020 . 1 . . . . 25 ALA HA . 16578 1 197 . 1 1 25 25 ALA HB1 H 1 1.525 0.020 . 1 . . . . 25 ALA HB . 16578 1 198 . 1 1 25 25 ALA HB2 H 1 1.525 0.020 . 1 . . . . 25 ALA HB . 16578 1 199 . 1 1 25 25 ALA HB3 H 1 1.525 0.020 . 1 . . . . 25 ALA HB . 16578 1 200 . 1 1 25 25 ALA CA C 13 51.542 0.400 . 1 . . . . 25 ALA CA . 16578 1 201 . 1 1 25 25 ALA CB C 13 21.844 0.400 . 1 . . . . 25 ALA CB . 16578 1 202 . 1 1 25 25 ALA N N 15 118.668 0.400 . 1 . . . . 25 ALA N . 16578 1 203 . 1 1 26 26 PHE H H 1 10.187 0.020 . 1 . . . . 26 PHE H . 16578 1 204 . 1 1 26 26 PHE HA H 1 5.335 0.020 . 1 . . . . 26 PHE HA . 16578 1 205 . 1 1 26 26 PHE HD1 H 1 7.221 0.020 . 1 . . . . 26 PHE HD1 . 16578 1 206 . 1 1 26 26 PHE HD2 H 1 7.221 0.020 . 1 . . . . 26 PHE HD2 . 16578 1 207 . 1 1 26 26 PHE HE1 H 1 7.008 0.020 . 1 . . . . 26 PHE HE1 . 16578 1 208 . 1 1 26 26 PHE HE2 H 1 7.008 0.020 . 1 . . . . 26 PHE HE2 . 16578 1 209 . 1 1 26 26 PHE HZ H 1 6.920 0.020 . 1 . . . . 26 PHE HZ . 16578 1 210 . 1 1 26 26 PHE CA C 13 56.336 0.400 . 1 . . . . 26 PHE CA . 16578 1 211 . 1 1 26 26 PHE CD1 C 13 131.380 0.400 . 1 . . . . 26 PHE CD1 . 16578 1 212 . 1 1 26 26 PHE CE1 C 13 130.480 0.400 . 1 . . . . 26 PHE CE1 . 16578 1 213 . 1 1 26 26 PHE CZ C 13 129.110 0.400 . 1 . . . . 26 PHE CZ . 16578 1 214 . 1 1 26 26 PHE N N 15 125.289 0.400 . 1 . . . . 26 PHE N . 16578 1 215 . 1 1 27 27 VAL H H 1 10.336 0.020 . 1 . . . . 27 VAL H . 16578 1 216 . 1 1 27 27 VAL HA H 1 5.129 0.020 . 1 . . . . 27 VAL HA . 16578 1 217 . 1 1 27 27 VAL HB H 1 1.917 0.020 . 1 . . . . 27 VAL HB . 16578 1 218 . 1 1 27 27 VAL HG11 H 1 0.394 0.020 . 1 . . . . 27 VAL HG1 . 16578 1 219 . 1 1 27 27 VAL HG12 H 1 0.394 0.020 . 1 . . . . 27 VAL HG1 . 16578 1 220 . 1 1 27 27 VAL HG13 H 1 0.394 0.020 . 1 . . . . 27 VAL HG1 . 16578 1 221 . 1 1 27 27 VAL HG21 H 1 0.196 0.020 . 1 . . . . 27 VAL HG2 . 16578 1 222 . 1 1 27 27 VAL HG22 H 1 0.196 0.020 . 1 . . . . 27 VAL HG2 . 16578 1 223 . 1 1 27 27 VAL HG23 H 1 0.196 0.020 . 1 . . . . 27 VAL HG2 . 16578 1 224 . 1 1 27 27 VAL CA C 13 61.144 0.400 . 1 . . . . 27 VAL CA . 16578 1 225 . 1 1 27 27 VAL CB C 13 34.372 0.400 . 1 . . . . 27 VAL CB . 16578 1 226 . 1 1 27 27 VAL CG1 C 13 21.380 0.400 . 1 . . . . 27 VAL CG1 . 16578 1 227 . 1 1 27 27 VAL CG2 C 13 19.885 0.400 . 1 . . . . 27 VAL CG2 . 16578 1 228 . 1 1 27 27 VAL N N 15 126.557 0.400 . 1 . . . . 27 VAL N . 16578 1 229 . 1 1 28 28 LYS H H 1 8.608 0.020 . 1 . . . . 28 LYS H . 16578 1 230 . 1 1 28 28 LYS HA H 1 4.513 0.020 . 1 . . . . 28 LYS HA . 16578 1 231 . 1 1 28 28 LYS HB2 H 1 1.699 0.020 . 2 . . . . 28 LYS HB2 . 16578 1 232 . 1 1 28 28 LYS HB3 H 1 1.241 0.020 . 2 . . . . 28 LYS HB3 . 16578 1 233 . 1 1 28 28 LYS HD2 H 1 1.522 0.020 . 2 . . . . 28 LYS HD2 . 16578 1 234 . 1 1 28 28 LYS HD3 H 1 1.522 0.020 . 2 . . . . 28 LYS HD3 . 16578 1 235 . 1 1 28 28 LYS HE2 H 1 2.840 0.020 . 2 . . . . 28 LYS HE2 . 16578 1 236 . 1 1 28 28 LYS HE3 H 1 2.835 0.020 . 2 . . . . 28 LYS HE3 . 16578 1 237 . 1 1 28 28 LYS HG2 H 1 1.107 0.020 . 2 . . . . 28 LYS HG2 . 16578 1 238 . 1 1 28 28 LYS HG3 H 1 1.110 0.020 . 2 . . . . 28 LYS HG3 . 16578 1 239 . 1 1 28 28 LYS CA C 13 56.288 0.400 . 1 . . . . 28 LYS CA . 16578 1 240 . 1 1 28 28 LYS CB C 13 35.710 0.400 . 1 . . . . 28 LYS CB . 16578 1 241 . 1 1 28 28 LYS CD C 13 29.047 0.400 . 1 . . . . 28 LYS CD . 16578 1 242 . 1 1 28 28 LYS CE C 13 41.780 0.400 . 1 . . . . 28 LYS CE . 16578 1 243 . 1 1 28 28 LYS CG C 13 24.060 0.400 . 1 . . . . 28 LYS CG . 16578 1 244 . 1 1 28 28 LYS N N 15 126.533 0.400 . 1 . . . . 28 LYS N . 16578 1 245 . 1 1 29 29 ASP H H 1 9.547 0.020 . 1 . . . . 29 ASP H . 16578 1 246 . 1 1 29 29 ASP HA H 1 4.338 0.020 . 1 . . . . 29 ASP HA . 16578 1 247 . 1 1 29 29 ASP HB2 H 1 2.957 0.020 . 2 . . . . 29 ASP HB2 . 16578 1 248 . 1 1 29 29 ASP HB3 H 1 2.839 0.020 . 2 . . . . 29 ASP HB3 . 16578 1 249 . 1 1 29 29 ASP CA C 13 55.591 0.400 . 1 . . . . 29 ASP CA . 16578 1 250 . 1 1 29 29 ASP CB C 13 39.568 0.400 . 1 . . . . 29 ASP CB . 16578 1 251 . 1 1 29 29 ASP N N 15 126.736 0.400 . 1 . . . . 29 ASP N . 16578 1 252 . 1 1 30 30 GLY H H 1 8.695 0.020 . 1 . . . . 30 GLY H . 16578 1 253 . 1 1 30 30 GLY HA2 H 1 4.121 0.020 . 2 . . . . 30 GLY HA2 . 16578 1 254 . 1 1 30 30 GLY HA3 H 1 3.635 0.020 . 2 . . . . 30 GLY HA3 . 16578 1 255 . 1 1 30 30 GLY CA C 13 46.090 0.400 . 1 . . . . 30 GLY CA . 16578 1 256 . 1 1 30 30 GLY N N 15 102.511 0.400 . 1 . . . . 30 GLY N . 16578 1 257 . 1 1 31 31 LYS H H 1 7.681 0.020 . 1 . . . . 31 LYS H . 16578 1 258 . 1 1 31 31 LYS HA H 1 4.723 0.020 . 1 . . . . 31 LYS HA . 16578 1 259 . 1 1 31 31 LYS HB2 H 1 1.671 0.020 . 2 . . . . 31 LYS HB2 . 16578 1 260 . 1 1 31 31 LYS HB3 H 1 1.664 0.020 . 2 . . . . 31 LYS HB3 . 16578 1 261 . 1 1 31 31 LYS HD2 H 1 1.575 0.020 . 2 . . . . 31 LYS HD2 . 16578 1 262 . 1 1 31 31 LYS HD3 H 1 1.570 0.020 . 2 . . . . 31 LYS HD3 . 16578 1 263 . 1 1 31 31 LYS HE2 H 1 2.851 0.020 . 2 . . . . 31 LYS HE2 . 16578 1 264 . 1 1 31 31 LYS HE3 H 1 2.847 0.020 . 2 . . . . 31 LYS HE3 . 16578 1 265 . 1 1 31 31 LYS HG2 H 1 1.266 0.020 . 2 . . . . 31 LYS HG2 . 16578 1 266 . 1 1 31 31 LYS HG3 H 1 1.239 0.020 . 2 . . . . 31 LYS HG3 . 16578 1 267 . 1 1 31 31 LYS CA C 13 54.016 0.400 . 1 . . . . 31 LYS CA . 16578 1 268 . 1 1 31 31 LYS CB C 13 35.715 0.400 . 1 . . . . 31 LYS CB . 16578 1 269 . 1 1 31 31 LYS CD C 13 28.780 0.400 . 1 . . . . 31 LYS CD . 16578 1 270 . 1 1 31 31 LYS CE C 13 41.780 0.400 . 1 . . . . 31 LYS CE . 16578 1 271 . 1 1 31 31 LYS CG C 13 24.023 0.400 . 1 . . . . 31 LYS CG . 16578 1 272 . 1 1 31 31 LYS N N 15 118.786 0.400 . 1 . . . . 31 LYS N . 16578 1 273 . 1 1 32 32 VAL H H 1 8.634 0.020 . 1 . . . . 32 VAL H . 16578 1 274 . 1 1 32 32 VAL HA H 1 4.272 0.020 . 1 . . . . 32 VAL HA . 16578 1 275 . 1 1 32 32 VAL HB H 1 1.841 0.020 . 1 . . . . 32 VAL HB . 16578 1 276 . 1 1 32 32 VAL HG11 H 1 0.880 0.020 . 2 . . . . 32 VAL HG1 . 16578 1 277 . 1 1 32 32 VAL HG12 H 1 0.880 0.020 . 2 . . . . 32 VAL HG1 . 16578 1 278 . 1 1 32 32 VAL HG13 H 1 0.880 0.020 . 2 . . . . 32 VAL HG1 . 16578 1 279 . 1 1 32 32 VAL HG21 H 1 0.592 0.020 . 2 . . . . 32 VAL HG2 . 16578 1 280 . 1 1 32 32 VAL HG22 H 1 0.592 0.020 . 2 . . . . 32 VAL HG2 . 16578 1 281 . 1 1 32 32 VAL HG23 H 1 0.592 0.020 . 2 . . . . 32 VAL HG2 . 16578 1 282 . 1 1 32 32 VAL CA C 13 62.621 0.400 . 1 . . . . 32 VAL CA . 16578 1 283 . 1 1 32 32 VAL CB C 13 31.608 0.400 . 1 . . . . 32 VAL CB . 16578 1 284 . 1 1 32 32 VAL CG1 C 13 21.952 0.400 . 1 . . . . 32 VAL CG1 . 16578 1 285 . 1 1 32 32 VAL CG2 C 13 21.310 0.400 . 1 . . . . 32 VAL CG2 . 16578 1 286 . 1 1 32 32 VAL N N 15 122.417 0.400 . 1 . . . . 32 VAL N . 16578 1 287 . 1 1 33 33 HIS H H 1 9.352 0.020 . 1 . . . . 33 HIS H . 16578 1 288 . 1 1 33 33 HIS HA H 1 4.290 0.020 . 1 . . . . 33 HIS HA . 16578 1 289 . 1 1 33 33 HIS HB2 H 1 2.687 0.020 . 2 . . . . 33 HIS HB2 . 16578 1 290 . 1 1 33 33 HIS HB3 H 1 2.659 0.020 . 2 . . . . 33 HIS HB3 . 16578 1 291 . 1 1 33 33 HIS HD2 H 1 7.080 0.020 . 1 . . . . 33 HIS HD2 . 16578 1 292 . 1 1 33 33 HIS HE1 H 1 8.080 0.020 . 1 . . . . 33 HIS HE1 . 16578 1 293 . 1 1 33 33 HIS CA C 13 57.718 0.400 . 1 . . . . 33 HIS CA . 16578 1 294 . 1 1 33 33 HIS CB C 13 34.342 0.400 . 1 . . . . 33 HIS CB . 16578 1 295 . 1 1 33 33 HIS CD2 C 13 119.620 0.400 . 1 . . . . 33 HIS CD2 . 16578 1 296 . 1 1 33 33 HIS CE1 C 13 136.050 0.400 . 1 . . . . 33 HIS CE1 . 16578 1 297 . 1 1 33 33 HIS N N 15 127.367 0.400 . 1 . . . . 33 HIS N . 16578 1 298 . 1 1 34 34 TYR H H 1 7.221 0.020 . 1 . . . . 34 TYR H . 16578 1 299 . 1 1 34 34 TYR HA H 1 4.856 0.020 . 1 . . . . 34 TYR HA . 16578 1 300 . 1 1 34 34 TYR HB2 H 1 2.876 0.020 . 2 . . . . 34 TYR HB2 . 16578 1 301 . 1 1 34 34 TYR HB3 H 1 1.888 0.020 . 2 . . . . 34 TYR HB3 . 16578 1 302 . 1 1 34 34 TYR HD1 H 1 6.559 0.020 . 1 . . . . 34 TYR HD1 . 16578 1 303 . 1 1 34 34 TYR HD2 H 1 6.559 0.020 . 1 . . . . 34 TYR HD2 . 16578 1 304 . 1 1 34 34 TYR HE1 H 1 6.570 0.020 . 1 . . . . 34 TYR HE1 . 16578 1 305 . 1 1 34 34 TYR HE2 H 1 6.570 0.020 . 1 . . . . 34 TYR HE2 . 16578 1 306 . 1 1 34 34 TYR CA C 13 56.417 0.400 . 1 . . . . 34 TYR CA . 16578 1 307 . 1 1 34 34 TYR CB C 13 41.229 0.400 . 1 . . . . 34 TYR CB . 16578 1 308 . 1 1 34 34 TYR CD1 C 13 132.742 0.400 . 1 . . . . 34 TYR CD1 . 16578 1 309 . 1 1 34 34 TYR CE1 C 13 117.556 0.400 . 1 . . . . 34 TYR CE1 . 16578 1 310 . 1 1 34 34 TYR N N 15 112.453 0.400 . 1 . . . . 34 TYR N . 16578 1 311 . 1 1 35 35 GLU H H 1 8.966 0.020 . 1 . . . . 35 GLU H . 16578 1 312 . 1 1 35 35 GLU HA H 1 4.785 0.020 . 1 . . . . 35 GLU HA . 16578 1 313 . 1 1 35 35 GLU HB2 H 1 2.217 0.020 . 2 . . . . 35 GLU HB2 . 16578 1 314 . 1 1 35 35 GLU HB3 H 1 1.889 0.020 . 2 . . . . 35 GLU HB3 . 16578 1 315 . 1 1 35 35 GLU HG2 H 1 2.108 0.020 . 2 . . . . 35 GLU HG2 . 16578 1 316 . 1 1 35 35 GLU HG3 H 1 2.103 0.020 . 2 . . . . 35 GLU HG3 . 16578 1 317 . 1 1 35 35 GLU CA C 13 56.351 0.400 . 1 . . . . 35 GLU CA . 16578 1 318 . 1 1 35 35 GLU CB C 13 33.654 0.400 . 1 . . . . 35 GLU CB . 16578 1 319 . 1 1 35 35 GLU CG C 13 33.723 0.400 . 1 . . . . 35 GLU CG . 16578 1 320 . 1 1 35 35 GLU N N 15 118.671 0.400 . 1 . . . . 35 GLU N . 16578 1 321 . 1 1 36 36 ASP H H 1 8.330 0.020 . 1 . . . . 36 ASP H . 16578 1 322 . 1 1 36 36 ASP HA H 1 4.565 0.020 . 1 . . . . 36 ASP HA . 16578 1 323 . 1 1 36 36 ASP HB2 H 1 2.701 0.020 . 2 . . . . 36 ASP HB2 . 16578 1 324 . 1 1 36 36 ASP HB3 H 1 2.438 0.020 . 2 . . . . 36 ASP HB3 . 16578 1 325 . 1 1 36 36 ASP CA C 13 52.894 0.400 . 1 . . . . 36 ASP CA . 16578 1 326 . 1 1 36 36 ASP CB C 13 42.568 0.400 . 1 . . . . 36 ASP CB . 16578 1 327 . 1 1 36 36 ASP N N 15 120.730 0.400 . 1 . . . . 36 ASP N . 16578 1 328 . 1 1 37 37 ALA H H 1 8.336 0.020 . 1 . . . . 37 ALA H . 16578 1 329 . 1 1 37 37 ALA HA H 1 3.713 0.020 . 1 . . . . 37 ALA HA . 16578 1 330 . 1 1 37 37 ALA HB1 H 1 0.984 0.020 . 1 . . . . 37 ALA HB . 16578 1 331 . 1 1 37 37 ALA HB2 H 1 0.984 0.020 . 1 . . . . 37 ALA HB . 16578 1 332 . 1 1 37 37 ALA HB3 H 1 0.984 0.020 . 1 . . . . 37 ALA HB . 16578 1 333 . 1 1 37 37 ALA CA C 13 51.559 0.400 . 1 . . . . 37 ALA CA . 16578 1 334 . 1 1 37 37 ALA CB C 13 21.967 0.400 . 1 . . . . 37 ALA CB . 16578 1 335 . 1 1 37 37 ALA N N 15 121.147 0.400 . 1 . . . . 37 ALA N . 16578 1 336 . 1 1 38 38 ASP H H 1 6.542 0.020 . 1 . . . . 38 ASP H . 16578 1 337 . 1 1 38 38 ASP HA H 1 4.198 0.020 . 1 . . . . 38 ASP HA . 16578 1 338 . 1 1 38 38 ASP HB2 H 1 2.535 0.020 . 2 . . . . 38 ASP HB2 . 16578 1 339 . 1 1 38 38 ASP HB3 H 1 2.336 0.020 . 2 . . . . 38 ASP HB3 . 16578 1 340 . 1 1 38 38 ASP CA C 13 52.317 0.400 . 1 . . . . 38 ASP CA . 16578 1 341 . 1 1 38 38 ASP CB C 13 43.292 0.400 . 1 . . . . 38 ASP CB . 16578 1 342 . 1 1 38 38 ASP N N 15 115.819 0.400 . 1 . . . . 38 ASP N . 16578 1 343 . 1 1 39 39 VAL H H 1 8.807 0.020 . 1 . . . . 39 VAL H . 16578 1 344 . 1 1 39 39 VAL HA H 1 4.525 0.020 . 1 . . . . 39 VAL HA . 16578 1 345 . 1 1 39 39 VAL HB H 1 1.839 0.020 . 1 . . . . 39 VAL HB . 16578 1 346 . 1 1 39 39 VAL HG11 H 1 0.792 0.020 . 1 . . . . 39 VAL HG1 . 16578 1 347 . 1 1 39 39 VAL HG12 H 1 0.792 0.020 . 1 . . . . 39 VAL HG1 . 16578 1 348 . 1 1 39 39 VAL HG13 H 1 0.792 0.020 . 1 . . . . 39 VAL HG1 . 16578 1 349 . 1 1 39 39 VAL HG21 H 1 0.746 0.020 . 1 . . . . 39 VAL HG2 . 16578 1 350 . 1 1 39 39 VAL HG22 H 1 0.746 0.020 . 1 . . . . 39 VAL HG2 . 16578 1 351 . 1 1 39 39 VAL HG23 H 1 0.746 0.020 . 1 . . . . 39 VAL HG2 . 16578 1 352 . 1 1 39 39 VAL CA C 13 60.138 0.400 . 1 . . . . 39 VAL CA . 16578 1 353 . 1 1 39 39 VAL CB C 13 33.681 0.400 . 1 . . . . 39 VAL CB . 16578 1 354 . 1 1 39 39 VAL CG1 C 13 21.270 0.400 . 1 . . . . 39 VAL CG1 . 16578 1 355 . 1 1 39 39 VAL CG2 C 13 20.576 0.400 . 1 . . . . 39 VAL CG2 . 16578 1 356 . 1 1 39 39 VAL N N 15 113.683 0.400 . 1 . . . . 39 VAL N . 16578 1 357 . 1 1 40 40 GLY H H 1 8.743 0.020 . 1 . . . . 40 GLY H . 16578 1 358 . 1 1 40 40 GLY HA2 H 1 4.083 0.020 . 2 . . . . 40 GLY HA2 . 16578 1 359 . 1 1 40 40 GLY HA3 H 1 2.832 0.020 . 2 . . . . 40 GLY HA3 . 16578 1 360 . 1 1 40 40 GLY CA C 13 44.654 0.400 . 1 . . . . 40 GLY CA . 16578 1 361 . 1 1 40 40 GLY N N 15 112.041 0.400 . 1 . . . . 40 GLY N . 16578 1 362 . 1 1 41 41 LYS H H 1 8.363 0.020 . 1 . . . . 41 LYS H . 16578 1 363 . 1 1 41 41 LYS HA H 1 4.583 0.020 . 1 . . . . 41 LYS HA . 16578 1 364 . 1 1 41 41 LYS HB2 H 1 1.991 0.020 . 2 . . . . 41 LYS HB2 . 16578 1 365 . 1 1 41 41 LYS HB3 H 1 1.716 0.020 . 2 . . . . 41 LYS HB3 . 16578 1 366 . 1 1 41 41 LYS HD2 H 1 1.651 0.020 . 2 . . . . 41 LYS HD2 . 16578 1 367 . 1 1 41 41 LYS HD3 H 1 1.649 0.020 . 2 . . . . 41 LYS HD3 . 16578 1 368 . 1 1 41 41 LYS HE2 H 1 2.952 0.020 . 2 . . . . 41 LYS HE2 . 16578 1 369 . 1 1 41 41 LYS HE3 H 1 2.951 0.020 . 2 . . . . 41 LYS HE3 . 16578 1 370 . 1 1 41 41 LYS HG2 H 1 1.441 0.020 . 2 . . . . 41 LYS HG2 . 16578 1 371 . 1 1 41 41 LYS HG3 H 1 1.437 0.020 . 2 . . . . 41 LYS HG3 . 16578 1 372 . 1 1 41 41 LYS CA C 13 55.466 0.400 . 1 . . . . 41 LYS CA . 16578 1 373 . 1 1 41 41 LYS CB C 13 34.356 0.400 . 1 . . . . 41 LYS CB . 16578 1 374 . 1 1 41 41 LYS CD C 13 28.780 0.400 . 1 . . . . 41 LYS CD . 16578 1 375 . 1 1 41 41 LYS CE C 13 41.905 0.400 . 1 . . . . 41 LYS CE . 16578 1 376 . 1 1 41 41 LYS CG C 13 24.717 0.400 . 1 . . . . 41 LYS CG . 16578 1 377 . 1 1 41 41 LYS N N 15 117.840 0.400 . 1 . . . . 41 LYS N . 16578 1 378 . 1 1 42 42 ASN H H 1 8.079 0.020 . 1 . . . . 42 ASN H . 16578 1 379 . 1 1 42 42 ASN HA H 1 5.117 0.020 . 1 . . . . 42 ASN HA . 16578 1 380 . 1 1 42 42 ASN HB2 H 1 2.990 0.020 . 2 . . . . 42 ASN HB2 . 16578 1 381 . 1 1 42 42 ASN HB3 H 1 2.781 0.020 . 2 . . . . 42 ASN HB3 . 16578 1 382 . 1 1 42 42 ASN CA C 13 51.530 0.400 . 1 . . . . 42 ASN CA . 16578 1 383 . 1 1 42 42 ASN CB C 13 40.507 0.400 . 1 . . . . 42 ASN CB . 16578 1 384 . 1 1 42 42 ASN N N 15 119.906 0.400 . 1 . . . . 42 ASN N . 16578 1 385 . 1 1 43 43 PRO HA H 1 4.443 0.020 . 1 . . . . 43 PRO HA . 16578 1 386 . 1 1 43 43 PRO HB2 H 1 2.422 0.020 . 2 . . . . 43 PRO HB2 . 16578 1 387 . 1 1 43 43 PRO HB3 H 1 2.017 0.020 . 2 . . . . 43 PRO HB3 . 16578 1 388 . 1 1 43 43 PRO HD2 H 1 4.037 0.020 . 2 . . . . 43 PRO HD2 . 16578 1 389 . 1 1 43 43 PRO HD3 H 1 3.843 0.020 . 2 . . . . 43 PRO HD3 . 16578 1 390 . 1 1 43 43 PRO HG2 H 1 2.118 0.020 . 2 . . . . 43 PRO HG2 . 16578 1 391 . 1 1 43 43 PRO HG3 H 1 2.050 0.020 . 2 . . . . 43 PRO HG3 . 16578 1 392 . 1 1 43 43 PRO CA C 13 64.627 0.400 . 1 . . . . 43 PRO CA . 16578 1 393 . 1 1 43 43 PRO CB C 13 31.619 0.400 . 1 . . . . 43 PRO CB . 16578 1 394 . 1 1 43 43 PRO CD C 13 50.847 0.400 . 1 . . . . 43 PRO CD . 16578 1 395 . 1 1 43 43 PRO CG C 13 27.140 0.400 . 1 . . . . 43 PRO CG . 16578 1 396 . 1 1 44 44 ALA H H 1 8.171 0.020 . 1 . . . . 44 ALA H . 16578 1 397 . 1 1 44 44 ALA HA H 1 4.220 0.020 . 1 . . . . 44 ALA HA . 16578 1 398 . 1 1 44 44 ALA HB1 H 1 1.335 0.020 . 1 . . . . 44 ALA HB . 16578 1 399 . 1 1 44 44 ALA HB2 H 1 1.335 0.020 . 1 . . . . 44 ALA HB . 16578 1 400 . 1 1 44 44 ALA HB3 H 1 1.335 0.020 . 1 . . . . 44 ALA HB . 16578 1 401 . 1 1 44 44 ALA CA C 13 53.647 0.400 . 1 . . . . 44 ALA CA . 16578 1 402 . 1 1 44 44 ALA CB C 13 18.142 0.400 . 1 . . . . 44 ALA CB . 16578 1 403 . 1 1 44 44 ALA N N 15 119.511 0.400 . 1 . . . . 44 ALA N . 16578 1 404 . 1 1 45 45 ALA H H 1 7.690 0.020 . 1 . . . . 45 ALA H . 16578 1 405 . 1 1 45 45 ALA HA H 1 3.407 0.020 . 1 . . . . 45 ALA HA . 16578 1 406 . 1 1 45 45 ALA HB1 H 1 0.655 0.020 . 1 . . . . 45 ALA HB . 16578 1 407 . 1 1 45 45 ALA HB2 H 1 0.655 0.020 . 1 . . . . 45 ALA HB . 16578 1 408 . 1 1 45 45 ALA HB3 H 1 0.655 0.020 . 1 . . . . 45 ALA HB . 16578 1 409 . 1 1 45 45 ALA CA C 13 53.404 0.400 . 1 . . . . 45 ALA CA . 16578 1 410 . 1 1 45 45 ALA CB C 13 17.808 0.400 . 1 . . . . 45 ALA CB . 16578 1 411 . 1 1 45 45 ALA N N 15 119.499 0.400 . 1 . . . . 45 ALA N . 16578 1 412 . 1 1 46 46 ALA H H 1 7.442 0.020 . 1 . . . . 46 ALA H . 16578 1 413 . 1 1 46 46 ALA HA H 1 3.802 0.020 . 1 . . . . 46 ALA HA . 16578 1 414 . 1 1 46 46 ALA HB1 H 1 1.582 0.020 . 1 . . . . 46 ALA HB . 16578 1 415 . 1 1 46 46 ALA HB2 H 1 1.582 0.020 . 1 . . . . 46 ALA HB . 16578 1 416 . 1 1 46 46 ALA HB3 H 1 1.582 0.020 . 1 . . . . 46 ALA HB . 16578 1 417 . 1 1 46 46 ALA CA C 13 54.994 0.400 . 1 . . . . 46 ALA CA . 16578 1 418 . 1 1 46 46 ALA CB C 13 17.887 0.400 . 1 . . . . 46 ALA CB . 16578 1 419 . 1 1 46 46 ALA N N 15 118.246 0.400 . 1 . . . . 46 ALA N . 16578 1 420 . 1 1 47 47 THR H H 1 7.233 0.020 . 1 . . . . 47 THR H . 16578 1 421 . 1 1 47 47 THR HA H 1 4.113 0.020 . 1 . . . . 47 THR HA . 16578 1 422 . 1 1 47 47 THR HB H 1 4.173 0.020 . 1 . . . . 47 THR HB . 16578 1 423 . 1 1 47 47 THR HG21 H 1 1.239 0.020 . 1 . . . . 47 THR HG2 . 16578 1 424 . 1 1 47 47 THR HG22 H 1 1.239 0.020 . 1 . . . . 47 THR HG2 . 16578 1 425 . 1 1 47 47 THR HG23 H 1 1.239 0.020 . 1 . . . . 47 THR HG2 . 16578 1 426 . 1 1 47 47 THR CA C 13 63.232 0.400 . 1 . . . . 47 THR CA . 16578 1 427 . 1 1 47 47 THR CB C 13 68.719 0.400 . 1 . . . . 47 THR CB . 16578 1 428 . 1 1 47 47 THR CG2 C 13 21.283 0.400 . 1 . . . . 47 THR CG2 . 16578 1 429 . 1 1 47 47 THR N N 15 107.898 0.400 . 1 . . . . 47 THR N . 16578 1 430 . 1 1 48 48 MET H H 1 7.793 0.020 . 1 . . . . 48 MET H . 16578 1 431 . 1 1 48 48 MET HA H 1 4.207 0.020 . 1 . . . . 48 MET HA . 16578 1 432 . 1 1 48 48 MET HB2 H 1 2.411 0.020 . 2 . . . . 48 MET HB2 . 16578 1 433 . 1 1 48 48 MET HB3 H 1 2.276 0.020 . 2 . . . . 48 MET HB3 . 16578 1 434 . 1 1 48 48 MET HE1 H 1 1.825 0.020 . 1 . . . . 48 MET HE . 16578 1 435 . 1 1 48 48 MET HE2 H 1 1.825 0.020 . 1 . . . . 48 MET HE . 16578 1 436 . 1 1 48 48 MET HE3 H 1 1.825 0.020 . 1 . . . . 48 MET HE . 16578 1 437 . 1 1 48 48 MET HG2 H 1 2.410 0.020 . 2 . . . . 48 MET HG2 . 16578 1 438 . 1 1 48 48 MET HG3 H 1 2.405 0.020 . 2 . . . . 48 MET HG3 . 16578 1 439 . 1 1 48 48 MET CA C 13 55.688 0.400 . 1 . . . . 48 MET CA . 16578 1 440 . 1 1 48 48 MET CB C 13 31.602 0.400 . 1 . . . . 48 MET CB . 16578 1 441 . 1 1 48 48 MET CE C 13 17.145 0.400 . 1 . . . . 48 MET CE . 16578 1 442 . 1 1 48 48 MET CG C 13 32.070 0.400 . 1 . . . . 48 MET CG . 16578 1 443 . 1 1 48 48 MET N N 15 118.254 0.400 . 1 . . . . 48 MET N . 16578 1 444 . 1 1 49 49 ARG H H 1 8.025 0.020 . 1 . . . . 49 ARG H . 16578 1 445 . 1 1 49 49 ARG HD2 H 1 3.130 0.020 . 2 . . . . 49 ARG HD2 . 16578 1 446 . 1 1 49 49 ARG HD3 H 1 3.130 0.020 . 2 . . . . 49 ARG HD3 . 16578 1 447 . 1 1 49 49 ARG N N 15 117.010 0.400 . 1 . . . . 49 ARG N . 16578 1 448 . 1 1 51 51 VAL H H 1 7.465 0.020 . 1 . . . . 51 VAL H . 16578 1 449 . 1 1 51 51 VAL HA H 1 3.702 0.020 . 1 . . . . 51 VAL HA . 16578 1 450 . 1 1 51 51 VAL HB H 1 1.941 0.020 . 1 . . . . 51 VAL HB . 16578 1 451 . 1 1 51 51 VAL HG11 H 1 0.829 0.020 . 1 . . . . 51 VAL HG1 . 16578 1 452 . 1 1 51 51 VAL HG12 H 1 0.829 0.020 . 1 . . . . 51 VAL HG1 . 16578 1 453 . 1 1 51 51 VAL HG13 H 1 0.829 0.020 . 1 . . . . 51 VAL HG1 . 16578 1 454 . 1 1 51 51 VAL HG21 H 1 0.531 0.020 . 1 . . . . 51 VAL HG2 . 16578 1 455 . 1 1 51 51 VAL HG22 H 1 0.531 0.020 . 1 . . . . 51 VAL HG2 . 16578 1 456 . 1 1 51 51 VAL HG23 H 1 0.531 0.020 . 1 . . . . 51 VAL HG2 . 16578 1 457 . 1 1 51 51 VAL CA C 13 64.612 0.400 . 1 . . . . 51 VAL CA . 16578 1 458 . 1 1 51 51 VAL CB C 13 31.328 0.400 . 1 . . . . 51 VAL CB . 16578 1 459 . 1 1 51 51 VAL CG1 C 13 21.960 0.400 . 1 . . . . 51 VAL CG1 . 16578 1 460 . 1 1 51 51 VAL CG2 C 13 21.958 0.400 . 1 . . . . 51 VAL CG2 . 16578 1 461 . 1 1 51 51 VAL N N 15 118.179 0.400 . 1 . . . . 51 VAL N . 16578 1 462 . 1 1 52 52 ALA H H 1 6.965 0.020 . 1 . . . . 52 ALA H . 16578 1 463 . 1 1 52 52 ALA HA H 1 3.754 0.020 . 1 . . . . 52 ALA HA . 16578 1 464 . 1 1 52 52 ALA HB1 H 1 0.524 0.020 . 1 . . . . 52 ALA HB . 16578 1 465 . 1 1 52 52 ALA HB2 H 1 0.524 0.020 . 1 . . . . 52 ALA HB . 16578 1 466 . 1 1 52 52 ALA HB3 H 1 0.524 0.020 . 1 . . . . 52 ALA HB . 16578 1 467 . 1 1 52 52 ALA CA C 13 54.965 0.400 . 1 . . . . 52 ALA CA . 16578 1 468 . 1 1 52 52 ALA CB C 13 17.154 0.400 . 1 . . . . 52 ALA CB . 16578 1 469 . 1 1 52 52 ALA N N 15 120.329 0.400 . 1 . . . . 52 ALA N . 16578 1 470 . 1 1 53 53 GLY H H 1 7.228 0.020 . 1 . . . . 53 GLY H . 16578 1 471 . 1 1 53 53 GLY HA2 H 1 4.397 0.020 . 2 . . . . 53 GLY HA2 . 16578 1 472 . 1 1 53 53 GLY HA3 H 1 4.090 0.020 . 2 . . . . 53 GLY HA3 . 16578 1 473 . 1 1 53 53 GLY CA C 13 47.729 0.400 . 1 . . . . 53 GLY CA . 16578 1 474 . 1 1 53 53 GLY N N 15 100.036 0.400 . 1 . . . . 53 GLY N . 16578 1 475 . 1 1 54 54 GLU H H 1 7.856 0.020 . 1 . . . . 54 GLU H . 16578 1 476 . 1 1 54 54 GLU HA H 1 3.962 0.020 . 1 . . . . 54 GLU HA . 16578 1 477 . 1 1 54 54 GLU HB2 H 1 1.602 0.020 . 2 . . . . 54 GLU HB2 . 16578 1 478 . 1 1 54 54 GLU HB3 H 1 1.607 0.020 . 2 . . . . 54 GLU HB3 . 16578 1 479 . 1 1 54 54 GLU CA C 13 60.806 0.400 . 1 . . . . 54 GLU CA . 16578 1 480 . 1 1 54 54 GLU CB C 13 29.568 0.400 . 1 . . . . 54 GLU CB . 16578 1 481 . 1 1 54 54 GLU N N 15 122.935 0.400 . 1 . . . . 54 GLU N . 16578 1 482 . 1 1 55 55 ILE H H 1 8.036 0.020 . 1 . . . . 55 ILE H . 16578 1 483 . 1 1 55 55 ILE HA H 1 3.196 0.020 . 1 . . . . 55 ILE HA . 16578 1 484 . 1 1 55 55 ILE HB H 1 1.770 0.020 . 1 . . . . 55 ILE HB . 16578 1 485 . 1 1 55 55 ILE HD11 H 1 0.451 0.020 . 1 . . . . 55 ILE HD1 . 16578 1 486 . 1 1 55 55 ILE HD12 H 1 0.451 0.020 . 1 . . . . 55 ILE HD1 . 16578 1 487 . 1 1 55 55 ILE HD13 H 1 0.451 0.020 . 1 . . . . 55 ILE HD1 . 16578 1 488 . 1 1 55 55 ILE HG12 H 1 1.611 0.020 . 2 . . . . 55 ILE HG12 . 16578 1 489 . 1 1 55 55 ILE HG13 H 1 1.607 0.020 . 2 . . . . 55 ILE HG13 . 16578 1 490 . 1 1 55 55 ILE HG21 H 1 0.007 0.020 . 1 . . . . 55 ILE HG2 . 16578 1 491 . 1 1 55 55 ILE HG22 H 1 0.007 0.020 . 1 . . . . 55 ILE HG2 . 16578 1 492 . 1 1 55 55 ILE HG23 H 1 0.007 0.020 . 1 . . . . 55 ILE HG2 . 16578 1 493 . 1 1 55 55 ILE CA C 13 64.615 0.400 . 1 . . . . 55 ILE CA . 16578 1 494 . 1 1 55 55 ILE CB C 13 37.094 0.400 . 1 . . . . 55 ILE CB . 16578 1 495 . 1 1 55 55 ILE CD1 C 13 14.402 0.400 . 1 . . . . 55 ILE CD1 . 16578 1 496 . 1 1 55 55 ILE CG1 C 13 28.862 0.400 . 1 . . . . 55 ILE CG1 . 16578 1 497 . 1 1 55 55 ILE CG2 C 13 16.461 0.400 . 1 . . . . 55 ILE CG2 . 16578 1 498 . 1 1 55 55 ILE N N 15 118.780 0.400 . 1 . . . . 55 ILE N . 16578 1 499 . 1 1 56 56 ALA H H 1 7.671 0.020 . 1 . . . . 56 ALA H . 16578 1 500 . 1 1 56 56 ALA HA H 1 3.651 0.020 . 1 . . . . 56 ALA HA . 16578 1 501 . 1 1 56 56 ALA HB1 H 1 1.456 0.020 . 1 . . . . 56 ALA HB . 16578 1 502 . 1 1 56 56 ALA HB2 H 1 1.456 0.020 . 1 . . . . 56 ALA HB . 16578 1 503 . 1 1 56 56 ALA HB3 H 1 1.456 0.020 . 1 . . . . 56 ALA HB . 16578 1 504 . 1 1 56 56 ALA CA C 13 54.883 0.400 . 1 . . . . 56 ALA CA . 16578 1 505 . 1 1 56 56 ALA CB C 13 17.808 0.400 . 1 . . . . 56 ALA CB . 16578 1 506 . 1 1 56 56 ALA N N 15 120.308 0.400 . 1 . . . . 56 ALA N . 16578 1 507 . 1 1 57 57 ALA H H 1 8.675 0.020 . 1 . . . . 57 ALA H . 16578 1 508 . 1 1 57 57 ALA HA H 1 4.086 0.020 . 1 . . . . 57 ALA HA . 16578 1 509 . 1 1 57 57 ALA HB1 H 1 2.095 0.020 . 1 . . . . 57 ALA HB . 16578 1 510 . 1 1 57 57 ALA HB2 H 1 2.095 0.020 . 1 . . . . 57 ALA HB . 16578 1 511 . 1 1 57 57 ALA HB3 H 1 2.095 0.020 . 1 . . . . 57 ALA HB . 16578 1 512 . 1 1 57 57 ALA CA C 13 55.607 0.400 . 1 . . . . 57 ALA CA . 16578 1 513 . 1 1 57 57 ALA CB C 13 20.488 0.400 . 1 . . . . 57 ALA CB . 16578 1 514 . 1 1 57 57 ALA N N 15 117.841 0.400 . 1 . . . . 57 ALA N . 16578 1 515 . 1 1 58 58 ALA H H 1 7.652 0.020 . 1 . . . . 58 ALA H . 16578 1 516 . 1 1 58 58 ALA HA H 1 3.770 0.020 . 1 . . . . 58 ALA HA . 16578 1 517 . 1 1 58 58 ALA HB1 H 1 1.586 0.020 . 1 . . . . 58 ALA HB . 16578 1 518 . 1 1 58 58 ALA HB2 H 1 1.586 0.020 . 1 . . . . 58 ALA HB . 16578 1 519 . 1 1 58 58 ALA HB3 H 1 1.586 0.020 . 1 . . . . 58 ALA HB . 16578 1 520 . 1 1 58 58 ALA CA C 13 54.970 0.400 . 1 . . . . 58 ALA CA . 16578 1 521 . 1 1 58 58 ALA CB C 13 17.896 0.400 . 1 . . . . 58 ALA CB . 16578 1 522 . 1 1 58 58 ALA N N 15 117.463 0.400 . 1 . . . . 58 ALA N . 16578 1 523 . 1 1 59 59 LEU H H 1 8.028 0.020 . 1 . . . . 59 LEU H . 16578 1 524 . 1 1 59 59 LEU HA H 1 3.898 0.020 . 1 . . . . 59 LEU HA . 16578 1 525 . 1 1 59 59 LEU HB2 H 1 1.584 0.020 . 2 . . . . 59 LEU HB2 . 16578 1 526 . 1 1 59 59 LEU HB3 H 1 1.389 0.020 . 2 . . . . 59 LEU HB3 . 16578 1 527 . 1 1 59 59 LEU HD11 H 1 0.627 0.020 . 2 . . . . 59 LEU HD1 . 16578 1 528 . 1 1 59 59 LEU HD12 H 1 0.627 0.020 . 2 . . . . 59 LEU HD1 . 16578 1 529 . 1 1 59 59 LEU HD13 H 1 0.627 0.020 . 2 . . . . 59 LEU HD1 . 16578 1 530 . 1 1 59 59 LEU HD21 H 1 0.625 0.020 . 2 . . . . 59 LEU HD2 . 16578 1 531 . 1 1 59 59 LEU HD22 H 1 0.625 0.020 . 2 . . . . 59 LEU HD2 . 16578 1 532 . 1 1 59 59 LEU HD23 H 1 0.625 0.020 . 2 . . . . 59 LEU HD2 . 16578 1 533 . 1 1 59 59 LEU HG H 1 1.470 0.020 . 1 . . . . 59 LEU HG . 16578 1 534 . 1 1 59 59 LEU CA C 13 57.722 0.400 . 1 . . . . 59 LEU CA . 16578 1 535 . 1 1 59 59 LEU CB C 13 41.908 0.400 . 1 . . . . 59 LEU CB . 16578 1 536 . 1 1 59 59 LEU CD1 C 13 24.730 0.400 . 1 . . . . 59 LEU CD1 . 16578 1 537 . 1 1 59 59 LEU CD2 C 13 24.712 0.400 . 1 . . . . 59 LEU CD2 . 16578 1 538 . 1 1 59 59 LEU CG C 13 26.770 0.400 . 1 . . . . 59 LEU CG . 16578 1 539 . 1 1 59 59 LEU N N 15 117.419 0.400 . 1 . . . . 59 LEU N . 16578 1 540 . 1 1 60 60 TYR H H 1 8.664 0.020 . 1 . . . . 60 TYR H . 16578 1 541 . 1 1 60 60 TYR HA H 1 4.003 0.020 . 1 . . . . 60 TYR HA . 16578 1 542 . 1 1 60 60 TYR HB2 H 1 2.882 0.020 . 2 . . . . 60 TYR HB2 . 16578 1 543 . 1 1 60 60 TYR HB3 H 1 2.875 0.020 . 2 . . . . 60 TYR HB3 . 16578 1 544 . 1 1 60 60 TYR HD1 H 1 6.163 0.020 . 1 . . . . 60 TYR HD1 . 16578 1 545 . 1 1 60 60 TYR HD2 H 1 6.163 0.020 . 1 . . . . 60 TYR HD2 . 16578 1 546 . 1 1 60 60 TYR HE1 H 1 6.461 0.020 . 1 . . . . 60 TYR HE1 . 16578 1 547 . 1 1 60 60 TYR HE2 H 1 6.461 0.020 . 1 . . . . 60 TYR HE2 . 16578 1 548 . 1 1 60 60 TYR CA C 13 61.296 0.400 . 1 . . . . 60 TYR CA . 16578 1 549 . 1 1 60 60 TYR CB C 13 35.744 0.400 . 1 . . . . 60 TYR CB . 16578 1 550 . 1 1 60 60 TYR CD1 C 13 132.682 0.400 . 1 . . . . 60 TYR CD1 . 16578 1 551 . 1 1 60 60 TYR CE1 C 13 116.184 0.400 . 1 . . . . 60 TYR CE1 . 16578 1 552 . 1 1 60 60 TYR N N 15 117.008 0.400 . 1 . . . . 60 TYR N . 16578 1 553 . 1 1 61 61 ALA H H 1 8.265 0.020 . 1 . . . . 61 ALA H . 16578 1 554 . 1 1 61 61 ALA HA H 1 3.162 0.020 . 1 . . . . 61 ALA HA . 16578 1 555 . 1 1 61 61 ALA HB1 H 1 0.958 0.020 . 1 . . . . 61 ALA HB . 16578 1 556 . 1 1 61 61 ALA HB2 H 1 0.958 0.020 . 1 . . . . 61 ALA HB . 16578 1 557 . 1 1 61 61 ALA HB3 H 1 0.958 0.020 . 1 . . . . 61 ALA HB . 16578 1 558 . 1 1 61 61 ALA CA C 13 55.013 0.400 . 1 . . . . 61 ALA CA . 16578 1 559 . 1 1 61 61 ALA CB C 13 18.534 0.400 . 1 . . . . 61 ALA CB . 16578 1 560 . 1 1 61 61 ALA N N 15 124.462 0.400 . 1 . . . . 61 ALA N . 16578 1 561 . 1 1 62 62 VAL H H 1 8.025 0.020 . 1 . . . . 62 VAL H . 16578 1 562 . 1 1 62 62 VAL HA H 1 3.256 0.020 . 1 . . . . 62 VAL HA . 16578 1 563 . 1 1 62 62 VAL HB H 1 1.885 0.020 . 1 . . . . 62 VAL HB . 16578 1 564 . 1 1 62 62 VAL HG11 H 1 0.344 0.020 . 1 . . . . 62 VAL HG1 . 16578 1 565 . 1 1 62 62 VAL HG12 H 1 0.344 0.020 . 1 . . . . 62 VAL HG1 . 16578 1 566 . 1 1 62 62 VAL HG13 H 1 0.344 0.020 . 1 . . . . 62 VAL HG1 . 16578 1 567 . 1 1 62 62 VAL HG21 H 1 0.625 0.020 . 1 . . . . 62 VAL HG2 . 16578 1 568 . 1 1 62 62 VAL HG22 H 1 0.625 0.020 . 1 . . . . 62 VAL HG2 . 16578 1 569 . 1 1 62 62 VAL HG23 H 1 0.625 0.020 . 1 . . . . 62 VAL HG2 . 16578 1 570 . 1 1 62 62 VAL CA C 13 66.678 0.400 . 1 . . . . 62 VAL CA . 16578 1 571 . 1 1 62 62 VAL CB C 13 30.937 0.400 . 1 . . . . 62 VAL CB . 16578 1 572 . 1 1 62 62 VAL CG1 C 13 25.330 0.400 . 1 . . . . 62 VAL CG1 . 16578 1 573 . 1 1 62 62 VAL CG2 C 13 25.397 0.400 . 1 . . . . 62 VAL CG2 . 16578 1 574 . 1 1 62 62 VAL N N 15 119.376 0.400 . 1 . . . . 62 VAL N . 16578 1 575 . 1 1 63 63 LYS H H 1 7.904 0.020 . 1 . . . . 63 LYS H . 16578 1 576 . 1 1 63 63 LYS HA H 1 3.433 0.020 . 1 . . . . 63 LYS HA . 16578 1 577 . 1 1 63 63 LYS HB2 H 1 1.787 0.020 . 2 . . . . 63 LYS HB2 . 16578 1 578 . 1 1 63 63 LYS HB3 H 1 1.731 0.020 . 2 . . . . 63 LYS HB3 . 16578 1 579 . 1 1 63 63 LYS HD2 H 1 1.557 0.020 . 2 . . . . 63 LYS HD2 . 16578 1 580 . 1 1 63 63 LYS HD3 H 1 1.552 0.020 . 2 . . . . 63 LYS HD3 . 16578 1 581 . 1 1 63 63 LYS HE2 H 1 2.838 0.020 . 2 . . . . 63 LYS HE2 . 16578 1 582 . 1 1 63 63 LYS HE3 H 1 2.847 0.020 . 2 . . . . 63 LYS HE3 . 16578 1 583 . 1 1 63 63 LYS HG2 H 1 1.473 0.020 . 2 . . . . 63 LYS HG2 . 16578 1 584 . 1 1 63 63 LYS HG3 H 1 1.232 0.020 . 2 . . . . 63 LYS HG3 . 16578 1 585 . 1 1 63 63 LYS CA C 13 59.994 0.400 . 1 . . . . 63 LYS CA . 16578 1 586 . 1 1 63 63 LYS CB C 13 31.761 0.400 . 1 . . . . 63 LYS CB . 16578 1 587 . 1 1 63 63 LYS CD C 13 29.523 0.400 . 1 . . . . 63 LYS CD . 16578 1 588 . 1 1 63 63 LYS CE C 13 41.780 0.400 . 1 . . . . 63 LYS CE . 16578 1 589 . 1 1 63 63 LYS CG C 13 25.400 0.400 . 1 . . . . 63 LYS CG . 16578 1 590 . 1 1 63 63 LYS N N 15 119.363 0.400 . 1 . . . . 63 LYS N . 16578 1 591 . 1 1 64 64 LYS H H 1 7.827 0.020 . 1 . . . . 64 LYS H . 16578 1 592 . 1 1 64 64 LYS HA H 1 4.028 0.020 . 1 . . . . 64 LYS HA . 16578 1 593 . 1 1 64 64 LYS HB2 H 1 1.733 0.020 . 2 . . . . 64 LYS HB2 . 16578 1 594 . 1 1 64 64 LYS HB3 H 1 1.670 0.020 . 2 . . . . 64 LYS HB3 . 16578 1 595 . 1 1 64 64 LYS CA C 13 57.371 0.400 . 1 . . . . 64 LYS CA . 16578 1 596 . 1 1 64 64 LYS CB C 13 30.805 0.400 . 1 . . . . 64 LYS CB . 16578 1 597 . 1 1 64 64 LYS N N 15 121.153 0.400 . 1 . . . . 64 LYS N . 16578 1 598 . 1 1 65 65 ALA H H 1 8.761 0.020 . 1 . . . . 65 ALA H . 16578 1 599 . 1 1 65 65 ALA HA H 1 3.836 0.020 . 1 . . . . 65 ALA HA . 16578 1 600 . 1 1 65 65 ALA HB1 H 1 1.506 0.020 . 1 . . . . 65 ALA HB . 16578 1 601 . 1 1 65 65 ALA HB2 H 1 1.506 0.020 . 1 . . . . 65 ALA HB . 16578 1 602 . 1 1 65 65 ALA HB3 H 1 1.506 0.020 . 1 . . . . 65 ALA HB . 16578 1 603 . 1 1 65 65 ALA CA C 13 55.248 0.400 . 1 . . . . 65 ALA CA . 16578 1 604 . 1 1 65 65 ALA CB C 13 18.411 0.400 . 1 . . . . 65 ALA CB . 16578 1 605 . 1 1 65 65 ALA N N 15 121.974 0.400 . 1 . . . . 65 ALA N . 16578 1 606 . 1 1 66 66 SER H H 1 8.371 0.020 . 1 . . . . 66 SER H . 16578 1 607 . 1 1 66 66 SER HA H 1 4.154 0.020 . 1 . . . . 66 SER HA . 16578 1 608 . 1 1 66 66 SER HB2 H 1 3.834 0.020 . 2 . . . . 66 SER HB2 . 16578 1 609 . 1 1 66 66 SER HB3 H 1 3.813 0.020 . 2 . . . . 66 SER HB3 . 16578 1 610 . 1 1 66 66 SER CA C 13 60.481 0.400 . 1 . . . . 66 SER CA . 16578 1 611 . 1 1 66 66 SER CB C 13 62.544 0.400 . 1 . . . . 66 SER CB . 16578 1 612 . 1 1 66 66 SER N N 15 112.039 0.400 . 1 . . . . 66 SER N . 16578 1 613 . 1 1 67 67 GLN H H 1 7.617 0.020 . 1 . . . . 67 GLN H . 16578 1 614 . 1 1 67 67 GLN HA H 1 4.046 0.020 . 1 . . . . 67 GLN HA . 16578 1 615 . 1 1 67 67 GLN HB2 H 1 2.246 0.020 . 2 . . . . 67 GLN HB2 . 16578 1 616 . 1 1 67 67 GLN HB3 H 1 2.166 0.020 . 2 . . . . 67 GLN HB3 . 16578 1 617 . 1 1 67 67 GLN HE21 H 1 7.423 0.020 . 2 . . . . 67 GLN HE21 . 16578 1 618 . 1 1 67 67 GLN HE22 H 1 6.838 0.020 . 2 . . . . 67 GLN HE22 . 16578 1 619 . 1 1 67 67 GLN HG2 H 1 2.539 0.020 . 2 . . . . 67 GLN HG2 . 16578 1 620 . 1 1 67 67 GLN HG3 H 1 2.315 0.020 . 2 . . . . 67 GLN HG3 . 16578 1 621 . 1 1 67 67 GLN CA C 13 58.405 0.400 . 1 . . . . 67 GLN CA . 16578 1 622 . 1 1 67 67 GLN CB C 13 28.162 0.400 . 1 . . . . 67 GLN CB . 16578 1 623 . 1 1 67 67 GLN CG C 13 33.659 0.400 . 1 . . . . 67 GLN CG . 16578 1 624 . 1 1 67 67 GLN N N 15 121.559 0.400 . 1 . . . . 67 GLN N . 16578 1 625 . 1 1 67 67 GLN NE2 N 15 111.241 0.400 . 1 . . . . 67 GLN NE2 . 16578 1 626 . 1 1 68 68 LEU H H 1 8.075 0.020 . 1 . . . . 68 LEU H . 16578 1 627 . 1 1 68 68 LEU HA H 1 4.066 0.020 . 1 . . . . 68 LEU HA . 16578 1 628 . 1 1 68 68 LEU HB2 H 1 1.678 0.020 . 2 . . . . 68 LEU HB2 . 16578 1 629 . 1 1 68 68 LEU HB3 H 1 1.314 0.020 . 2 . . . . 68 LEU HB3 . 16578 1 630 . 1 1 68 68 LEU HD11 H 1 0.511 0.020 . 1 . . . . 68 LEU HD1 . 16578 1 631 . 1 1 68 68 LEU HD12 H 1 0.511 0.020 . 1 . . . . 68 LEU HD1 . 16578 1 632 . 1 1 68 68 LEU HD13 H 1 0.511 0.020 . 1 . . . . 68 LEU HD1 . 16578 1 633 . 1 1 68 68 LEU HD21 H 1 -0.395 0.020 . 1 . . . . 68 LEU HD2 . 16578 1 634 . 1 1 68 68 LEU HD22 H 1 -0.395 0.020 . 1 . . . . 68 LEU HD2 . 16578 1 635 . 1 1 68 68 LEU HD23 H 1 -0.395 0.020 . 1 . . . . 68 LEU HD2 . 16578 1 636 . 1 1 68 68 LEU HG H 1 0.988 0.020 . 1 . . . . 68 LEU HG . 16578 1 637 . 1 1 68 68 LEU CA C 13 54.973 0.400 . 1 . . . . 68 LEU CA . 16578 1 638 . 1 1 68 68 LEU CB C 13 44.730 0.400 . 1 . . . . 68 LEU CB . 16578 1 639 . 1 1 68 68 LEU CD1 C 13 21.274 0.400 . 1 . . . . 68 LEU CD1 . 16578 1 640 . 1 1 68 68 LEU CD2 C 13 24.874 0.400 . 1 . . . . 68 LEU CD2 . 16578 1 641 . 1 1 68 68 LEU N N 15 117.015 0.400 . 1 . . . . 68 LEU N . 16578 1 642 . 1 1 69 69 GLY H H 1 8.111 0.020 . 1 . . . . 69 GLY H . 16578 1 643 . 1 1 69 69 GLY HA2 H 1 4.035 0.020 . 2 . . . . 69 GLY HA2 . 16578 1 644 . 1 1 69 69 GLY HA3 H 1 3.961 0.020 . 2 . . . . 69 GLY HA3 . 16578 1 645 . 1 1 69 69 GLY CA C 13 46.342 0.400 . 1 . . . . 69 GLY CA . 16578 1 646 . 1 1 69 69 GLY N N 15 108.709 0.400 . 1 . . . . 69 GLY N . 16578 1 647 . 1 1 70 70 VAL H H 1 7.536 0.020 . 1 . . . . 70 VAL H . 16578 1 648 . 1 1 70 70 VAL HA H 1 4.857 0.020 . 1 . . . . 70 VAL HA . 16578 1 649 . 1 1 70 70 VAL HB H 1 2.571 0.020 . 1 . . . . 70 VAL HB . 16578 1 650 . 1 1 70 70 VAL HG11 H 1 0.993 0.020 . 2 . . . . 70 VAL HG1 . 16578 1 651 . 1 1 70 70 VAL HG12 H 1 0.993 0.020 . 2 . . . . 70 VAL HG1 . 16578 1 652 . 1 1 70 70 VAL HG13 H 1 0.993 0.020 . 2 . . . . 70 VAL HG1 . 16578 1 653 . 1 1 70 70 VAL HG21 H 1 0.851 0.020 . 2 . . . . 70 VAL HG2 . 16578 1 654 . 1 1 70 70 VAL HG22 H 1 0.851 0.020 . 2 . . . . 70 VAL HG2 . 16578 1 655 . 1 1 70 70 VAL HG23 H 1 0.851 0.020 . 2 . . . . 70 VAL HG2 . 16578 1 656 . 1 1 70 70 VAL CA C 13 58.361 0.400 . 1 . . . . 70 VAL CA . 16578 1 657 . 1 1 70 70 VAL CB C 13 33.639 0.400 . 1 . . . . 70 VAL CB . 16578 1 658 . 1 1 70 70 VAL CG1 C 13 21.274 0.400 . 1 . . . . 70 VAL CG1 . 16578 1 659 . 1 1 70 70 VAL CG2 C 13 17.846 0.400 . 1 . . . . 70 VAL CG2 . 16578 1 660 . 1 1 70 70 VAL N N 15 110.398 0.400 . 1 . . . . 70 VAL N . 16578 1 661 . 1 1 71 71 LYS H H 1 8.309 0.020 . 1 . . . . 71 LYS H . 16578 1 662 . 1 1 71 71 LYS HA H 1 5.179 0.020 . 1 . . . . 71 LYS HA . 16578 1 663 . 1 1 71 71 LYS HB2 H 1 1.635 0.020 . 2 . . . . 71 LYS HB2 . 16578 1 664 . 1 1 71 71 LYS HB3 H 1 1.635 0.020 . 2 . . . . 71 LYS HB3 . 16578 1 665 . 1 1 71 71 LYS HD2 H 1 1.577 0.020 . 2 . . . . 71 LYS HD2 . 16578 1 666 . 1 1 71 71 LYS HD3 H 1 1.573 0.020 . 2 . . . . 71 LYS HD3 . 16578 1 667 . 1 1 71 71 LYS HE2 H 1 2.839 0.020 . 2 . . . . 71 LYS HE2 . 16578 1 668 . 1 1 71 71 LYS HE3 H 1 2.838 0.020 . 2 . . . . 71 LYS HE3 . 16578 1 669 . 1 1 71 71 LYS HG2 H 1 1.366 0.020 . 2 . . . . 71 LYS HG2 . 16578 1 670 . 1 1 71 71 LYS HG3 H 1 1.259 0.020 . 2 . . . . 71 LYS HG3 . 16578 1 671 . 1 1 71 71 LYS CA C 13 54.275 0.400 . 1 . . . . 71 LYS CA . 16578 1 672 . 1 1 71 71 LYS CB C 13 35.018 0.400 . 1 . . . . 71 LYS CB . 16578 1 673 . 1 1 71 71 LYS CD C 13 28.839 0.400 . 1 . . . . 71 LYS CD . 16578 1 674 . 1 1 71 71 LYS CE C 13 41.780 0.400 . 1 . . . . 71 LYS CE . 16578 1 675 . 1 1 71 71 LYS CG C 13 24.781 0.400 . 1 . . . . 71 LYS CG . 16578 1 676 . 1 1 71 71 LYS N N 15 118.243 0.400 . 1 . . . . 71 LYS N . 16578 1 677 . 1 1 72 72 ILE H H 1 8.409 0.020 . 1 . . . . 72 ILE H . 16578 1 678 . 1 1 72 72 ILE HA H 1 5.423 0.020 . 1 . . . . 72 ILE HA . 16578 1 679 . 1 1 72 72 ILE HB H 1 1.354 0.020 . 1 . . . . 72 ILE HB . 16578 1 680 . 1 1 72 72 ILE HD11 H 1 0.354 0.020 . 1 . . . . 72 ILE HD1 . 16578 1 681 . 1 1 72 72 ILE HD12 H 1 0.354 0.020 . 1 . . . . 72 ILE HD1 . 16578 1 682 . 1 1 72 72 ILE HD13 H 1 0.354 0.020 . 1 . . . . 72 ILE HD1 . 16578 1 683 . 1 1 72 72 ILE HG12 H 1 1.376 0.020 . 2 . . . . 72 ILE HG12 . 16578 1 684 . 1 1 72 72 ILE HG13 H 1 1.375 0.020 . 2 . . . . 72 ILE HG13 . 16578 1 685 . 1 1 72 72 ILE HG21 H 1 0.456 0.020 . 1 . . . . 72 ILE HG2 . 16578 1 686 . 1 1 72 72 ILE HG22 H 1 0.456 0.020 . 1 . . . . 72 ILE HG2 . 16578 1 687 . 1 1 72 72 ILE HG23 H 1 0.456 0.020 . 1 . . . . 72 ILE HG2 . 16578 1 688 . 1 1 72 72 ILE CA C 13 58.414 0.400 . 1 . . . . 72 ILE CA . 16578 1 689 . 1 1 72 72 ILE CB C 13 42.728 0.400 . 1 . . . . 72 ILE CB . 16578 1 690 . 1 1 72 72 ILE CD1 C 13 13.370 0.400 . 1 . . . . 72 ILE CD1 . 16578 1 691 . 1 1 72 72 ILE CG1 C 13 28.154 0.400 . 1 . . . . 72 ILE CG1 . 16578 1 692 . 1 1 72 72 ILE CG2 C 13 20.596 0.400 . 1 . . . . 72 ILE CG2 . 16578 1 693 . 1 1 72 72 ILE N N 15 111.205 0.400 . 1 . . . . 72 ILE N . 16578 1 694 . 1 1 73 73 ARG H H 1 8.469 0.020 . 1 . . . . 73 ARG H . 16578 1 695 . 1 1 73 73 ARG HA H 1 4.536 0.020 . 1 . . . . 73 ARG HA . 16578 1 696 . 1 1 73 73 ARG HB2 H 1 1.995 0.020 . 2 . . . . 73 ARG HB2 . 16578 1 697 . 1 1 73 73 ARG HB3 H 1 1.400 0.020 . 2 . . . . 73 ARG HB3 . 16578 1 698 . 1 1 73 73 ARG HD2 H 1 3.095 0.020 . 2 . . . . 73 ARG HD2 . 16578 1 699 . 1 1 73 73 ARG HD3 H 1 3.097 0.020 . 2 . . . . 73 ARG HD3 . 16578 1 700 . 1 1 73 73 ARG HG2 H 1 1.237 0.020 . 2 . . . . 73 ARG HG2 . 16578 1 701 . 1 1 73 73 ARG HG3 H 1 1.043 0.020 . 2 . . . . 73 ARG HG3 . 16578 1 702 . 1 1 73 73 ARG CA C 13 54.194 0.400 . 1 . . . . 73 ARG CA . 16578 1 703 . 1 1 73 73 ARG CB C 13 31.648 0.400 . 1 . . . . 73 ARG CB . 16578 1 704 . 1 1 73 73 ARG CD C 13 43.280 0.400 . 1 . . . . 73 ARG CD . 16578 1 705 . 1 1 73 73 ARG CG C 13 26.690 0.400 . 1 . . . . 73 ARG CG . 16578 1 706 . 1 1 73 73 ARG N N 15 125.708 0.400 . 1 . . . . 73 ARG N . 16578 1 707 . 1 1 74 74 ILE H H 1 9.099 0.020 . 1 . . . . 74 ILE H . 16578 1 708 . 1 1 74 74 ILE HA H 1 4.104 0.020 . 1 . . . . 74 ILE HA . 16578 1 709 . 1 1 74 74 ILE HB H 1 1.818 0.020 . 1 . . . . 74 ILE HB . 16578 1 710 . 1 1 74 74 ILE HG21 H 1 0.824 0.020 . 1 . . . . 74 ILE HG2 . 16578 1 711 . 1 1 74 74 ILE HG22 H 1 0.824 0.020 . 1 . . . . 74 ILE HG2 . 16578 1 712 . 1 1 74 74 ILE HG23 H 1 0.824 0.020 . 1 . . . . 74 ILE HG2 . 16578 1 713 . 1 1 74 74 ILE CA C 13 61.869 0.400 . 1 . . . . 74 ILE CA . 16578 1 714 . 1 1 74 74 ILE CB C 13 37.768 0.400 . 1 . . . . 74 ILE CB . 16578 1 715 . 1 1 74 74 ILE CG2 C 13 17.360 0.400 . 1 . . . . 74 ILE CG2 . 16578 1 716 . 1 1 74 74 ILE N N 15 126.966 0.400 . 1 . . . . 74 ILE N . 16578 1 717 . 1 1 75 75 LEU H H 1 9.025 0.020 . 1 . . . . 75 LEU H . 16578 1 718 . 1 1 75 75 LEU HA H 1 4.105 0.020 . 1 . . . . 75 LEU HA . 16578 1 719 . 1 1 75 75 LEU HB2 H 1 1.630 0.020 . 2 . . . . 75 LEU HB2 . 16578 1 720 . 1 1 75 75 LEU HB3 H 1 1.570 0.020 . 2 . . . . 75 LEU HB3 . 16578 1 721 . 1 1 75 75 LEU CA C 13 54.008 0.400 . 1 . . . . 75 LEU CA . 16578 1 722 . 1 1 75 75 LEU CB C 13 40.168 0.400 . 1 . . . . 75 LEU CB . 16578 1 723 . 1 1 75 75 LEU N N 15 133.577 0.400 . 1 . . . . 75 LEU N . 16578 1 724 . 1 1 79 79 ALA HA H 1 3.380 0.020 . 1 . . . . 79 ALA HA . 16578 1 725 . 1 1 79 79 ALA HB1 H 1 0.788 0.020 . 1 . . . . 79 ALA HB . 16578 1 726 . 1 1 79 79 ALA HB2 H 1 0.788 0.020 . 1 . . . . 79 ALA HB . 16578 1 727 . 1 1 79 79 ALA HB3 H 1 0.788 0.020 . 1 . . . . 79 ALA HB . 16578 1 728 . 1 1 79 79 ALA CA C 13 54.284 0.400 . 1 . . . . 79 ALA CA . 16578 1 729 . 1 1 79 79 ALA CB C 13 17.849 0.400 . 1 . . . . 79 ALA CB . 16578 1 730 . 1 1 80 80 GLY H H 1 5.481 0.020 . 1 . . . . 80 GLY H . 16578 1 731 . 1 1 80 80 GLY HA2 H 1 3.930 0.020 . 2 . . . . 80 GLY HA2 . 16578 1 732 . 1 1 80 80 GLY HA3 H 1 3.951 0.020 . 2 . . . . 80 GLY HA3 . 16578 1 733 . 1 1 80 80 GLY CA C 13 46.248 0.400 . 1 . . . . 80 GLY CA . 16578 1 734 . 1 1 80 80 GLY N N 15 99.207 0.400 . 1 . . . . 80 GLY N . 16578 1 735 . 1 1 82 82 ALA H H 1 5.295 0.020 . 1 . . . . 82 ALA H . 16578 1 736 . 1 1 82 82 ALA HA H 1 2.187 0.020 . 1 . . . . 82 ALA HA . 16578 1 737 . 1 1 82 82 ALA HB1 H 1 0.192 0.020 . 1 . . . . 82 ALA HB . 16578 1 738 . 1 1 82 82 ALA HB2 H 1 0.192 0.020 . 1 . . . . 82 ALA HB . 16578 1 739 . 1 1 82 82 ALA HB3 H 1 0.192 0.020 . 1 . . . . 82 ALA HB . 16578 1 740 . 1 1 82 82 ALA CA C 13 52.210 0.400 . 1 . . . . 82 ALA CA . 16578 1 741 . 1 1 82 82 ALA CB C 13 19.222 0.400 . 1 . . . . 82 ALA CB . 16578 1 742 . 1 1 82 82 ALA N N 15 116.195 0.400 . 1 . . . . 82 ALA N . 16578 1 743 . 1 1 83 83 PHE H H 1 6.319 0.020 . 1 . . . . 83 PHE H . 16578 1 744 . 1 1 83 83 PHE HA H 1 4.489 0.020 . 1 . . . . 83 PHE HA . 16578 1 745 . 1 1 83 83 PHE HD1 H 1 6.910 0.020 . 1 . . . . 83 PHE HD1 . 16578 1 746 . 1 1 83 83 PHE HD2 H 1 6.910 0.020 . 1 . . . . 83 PHE HD2 . 16578 1 747 . 1 1 83 83 PHE HE1 H 1 6.950 0.020 . 1 . . . . 83 PHE HE1 . 16578 1 748 . 1 1 83 83 PHE HE2 H 1 6.950 0.020 . 1 . . . . 83 PHE HE2 . 16578 1 749 . 1 1 83 83 PHE HZ H 1 6.920 0.020 . 1 . . . . 83 PHE HZ . 16578 1 750 . 1 1 83 83 PHE CA C 13 57.213 0.400 . 1 . . . . 83 PHE CA . 16578 1 751 . 1 1 83 83 PHE N N 15 113.697 0.400 . 1 . . . . 83 PHE N . 16578 1 752 . 1 1 84 84 TRP H H 1 9.425 0.020 . 1 . . . . 84 TRP H . 16578 1 753 . 1 1 84 84 TRP HA H 1 5.054 0.020 . 1 . . . . 84 TRP HA . 16578 1 754 . 1 1 84 84 TRP HB2 H 1 3.532 0.020 . 2 . . . . 84 TRP HB2 . 16578 1 755 . 1 1 84 84 TRP HB3 H 1 3.200 0.020 . 2 . . . . 84 TRP HB3 . 16578 1 756 . 1 1 84 84 TRP HD1 H 1 7.174 0.020 . 1 . . . . 84 TRP HD1 . 16578 1 757 . 1 1 84 84 TRP HE1 H 1 10.556 0.020 . 1 . . . . 84 TRP HE1 . 16578 1 758 . 1 1 84 84 TRP HE3 H 1 6.839 0.020 . 1 . . . . 84 TRP HE3 . 16578 1 759 . 1 1 84 84 TRP HH2 H 1 7.375 0.020 . 1 . . . . 84 TRP HH2 . 16578 1 760 . 1 1 84 84 TRP HZ2 H 1 7.858 0.020 . 1 . . . . 84 TRP HZ2 . 16578 1 761 . 1 1 84 84 TRP HZ3 H 1 7.344 0.020 . 1 . . . . 84 TRP HZ3 . 16578 1 762 . 1 1 84 84 TRP CA C 13 60.469 0.400 . 1 . . . . 84 TRP CA . 16578 1 763 . 1 1 84 84 TRP CB C 13 27.639 0.400 . 1 . . . . 84 TRP CB . 16578 1 764 . 1 1 84 84 TRP CD1 C 13 125.105 0.400 . 1 . . . . 84 TRP CD1 . 16578 1 765 . 1 1 84 84 TRP CE3 C 13 120.380 0.400 . 1 . . . . 84 TRP CE3 . 16578 1 766 . 1 1 84 84 TRP CH2 C 13 125.131 0.400 . 1 . . . . 84 TRP CH2 . 16578 1 767 . 1 1 84 84 TRP CZ2 C 13 114.806 0.400 . 1 . . . . 84 TRP CZ2 . 16578 1 768 . 1 1 84 84 TRP CZ3 C 13 125.132 0.400 . 1 . . . . 84 TRP CZ3 . 16578 1 769 . 1 1 84 84 TRP N N 15 117.837 0.400 . 1 . . . . 84 TRP N . 16578 1 770 . 1 1 84 84 TRP NE1 N 15 130.053 0.400 . 1 . . . . 84 TRP NE1 . 16578 1 771 . 1 1 85 85 ALA H H 1 6.927 0.020 . 1 . . . . 85 ALA H . 16578 1 772 . 1 1 85 85 ALA HA H 1 3.926 0.020 . 1 . . . . 85 ALA HA . 16578 1 773 . 1 1 85 85 ALA HB1 H 1 1.623 0.020 . 1 . . . . 85 ALA HB . 16578 1 774 . 1 1 85 85 ALA HB2 H 1 1.623 0.020 . 1 . . . . 85 ALA HB . 16578 1 775 . 1 1 85 85 ALA HB3 H 1 1.623 0.020 . 1 . . . . 85 ALA HB . 16578 1 776 . 1 1 85 85 ALA CA C 13 54.925 0.400 . 1 . . . . 85 ALA CA . 16578 1 777 . 1 1 85 85 ALA CB C 13 19.213 0.400 . 1 . . . . 85 ALA CB . 16578 1 778 . 1 1 85 85 ALA N N 15 118.665 0.400 . 1 . . . . 85 ALA N . 16578 1 779 . 1 1 86 86 THR H H 1 8.403 0.020 . 1 . . . . 86 THR H . 16578 1 780 . 1 1 86 86 THR HA H 1 4.364 0.020 . 1 . . . . 86 THR HA . 16578 1 781 . 1 1 86 86 THR HB H 1 4.546 0.020 . 1 . . . . 86 THR HB . 16578 1 782 . 1 1 86 86 THR HG21 H 1 1.414 0.020 . 1 . . . . 86 THR HG2 . 16578 1 783 . 1 1 86 86 THR HG22 H 1 1.414 0.020 . 1 . . . . 86 THR HG2 . 16578 1 784 . 1 1 86 86 THR HG23 H 1 1.414 0.020 . 1 . . . . 86 THR HG2 . 16578 1 785 . 1 1 86 86 THR CA C 13 62.456 0.400 . 1 . . . . 86 THR CA . 16578 1 786 . 1 1 86 86 THR CB C 13 69.928 0.400 . 1 . . . . 86 THR CB . 16578 1 787 . 1 1 86 86 THR CG2 C 13 21.276 0.400 . 1 . . . . 86 THR CG2 . 16578 1 788 . 1 1 86 86 THR N N 15 106.235 0.400 . 1 . . . . 86 THR N . 16578 1 789 . 1 1 87 87 GLY H H 1 7.472 0.020 . 1 . . . . 87 GLY H . 16578 1 790 . 1 1 87 87 GLY HA2 H 1 4.386 0.020 . 2 . . . . 87 GLY HA2 . 16578 1 791 . 1 1 87 87 GLY HA3 H 1 3.916 0.020 . 2 . . . . 87 GLY HA3 . 16578 1 792 . 1 1 87 87 GLY CA C 13 44.935 0.400 . 1 . . . . 87 GLY CA . 16578 1 793 . 1 1 87 87 GLY N N 15 108.311 0.400 . 1 . . . . 87 GLY N . 16578 1 794 . 1 1 88 88 GLU H H 1 8.240 0.020 . 1 . . . . 88 GLU H . 16578 1 795 . 1 1 88 88 GLU HA H 1 3.901 0.020 . 1 . . . . 88 GLU HA . 16578 1 796 . 1 1 88 88 GLU HB2 H 1 1.657 0.020 . 2 . . . . 88 GLU HB2 . 16578 1 797 . 1 1 88 88 GLU HB3 H 1 1.470 0.020 . 2 . . . . 88 GLU HB3 . 16578 1 798 . 1 1 88 88 GLU HG2 H 1 2.031 0.020 . 2 . . . . 88 GLU HG2 . 16578 1 799 . 1 1 88 88 GLU HG3 H 1 1.770 0.020 . 2 . . . . 88 GLU HG3 . 16578 1 800 . 1 1 88 88 GLU CA C 13 59.097 0.400 . 1 . . . . 88 GLU CA . 16578 1 801 . 1 1 88 88 GLU CB C 13 29.552 0.400 . 1 . . . . 88 GLU CB . 16578 1 802 . 1 1 88 88 GLU CG C 13 36.399 0.400 . 1 . . . . 88 GLU CG . 16578 1 803 . 1 1 88 88 GLU N N 15 122.834 0.400 . 1 . . . . 88 GLU N . 16578 1 804 . 1 1 89 89 TRP H H 1 7.427 0.020 . 1 . . . . 89 TRP H . 16578 1 805 . 1 1 89 89 TRP HA H 1 5.077 0.020 . 1 . . . . 89 TRP HA . 16578 1 806 . 1 1 89 89 TRP HB2 H 1 3.013 0.020 . 2 . . . . 89 TRP HB2 . 16578 1 807 . 1 1 89 89 TRP HB3 H 1 2.363 0.020 . 2 . . . . 89 TRP HB3 . 16578 1 808 . 1 1 89 89 TRP HD1 H 1 6.807 0.020 . 1 . . . . 89 TRP HD1 . 16578 1 809 . 1 1 89 89 TRP HE1 H 1 9.775 0.020 . 1 . . . . 89 TRP HE1 . 16578 1 810 . 1 1 89 89 TRP HE3 H 1 6.130 0.020 . 1 . . . . 89 TRP HE3 . 16578 1 811 . 1 1 89 89 TRP HH2 H 1 6.879 0.020 . 1 . . . . 89 TRP HH2 . 16578 1 812 . 1 1 89 89 TRP HZ2 H 1 7.327 0.020 . 1 . . . . 89 TRP HZ2 . 16578 1 813 . 1 1 89 89 TRP HZ3 H 1 6.436 0.020 . 1 . . . . 89 TRP HZ3 . 16578 1 814 . 1 1 89 89 TRP CA C 13 52.368 0.400 . 1 . . . . 89 TRP CA . 16578 1 815 . 1 1 89 89 TRP CB C 13 31.124 0.400 . 1 . . . . 89 TRP CB . 16578 1 816 . 1 1 89 89 TRP CD1 C 13 123.070 0.400 . 1 . . . . 89 TRP CD1 . 16578 1 817 . 1 1 89 89 TRP CE3 C 13 119.621 0.400 . 1 . . . . 89 TRP CE3 . 16578 1 818 . 1 1 89 89 TRP CH2 C 13 123.752 0.400 . 1 . . . . 89 TRP CH2 . 16578 1 819 . 1 1 89 89 TRP CZ2 C 13 114.805 0.400 . 1 . . . . 89 TRP CZ2 . 16578 1 820 . 1 1 89 89 TRP CZ3 C 13 121.002 0.400 . 1 . . . . 89 TRP CZ3 . 16578 1 821 . 1 1 89 89 TRP N N 15 114.152 0.400 . 1 . . . . 89 TRP N . 16578 1 822 . 1 1 89 89 TRP NE1 N 15 128.603 0.400 . 1 . . . . 89 TRP NE1 . 16578 1 823 . 1 1 90 90 LYS H H 1 8.719 0.020 . 1 . . . . 90 LYS H . 16578 1 824 . 1 1 90 90 LYS HA H 1 4.315 0.020 . 1 . . . . 90 LYS HA . 16578 1 825 . 1 1 90 90 LYS HB2 H 1 1.742 0.020 . 2 . . . . 90 LYS HB2 . 16578 1 826 . 1 1 90 90 LYS HB3 H 1 1.729 0.020 . 2 . . . . 90 LYS HB3 . 16578 1 827 . 1 1 90 90 LYS HD2 H 1 1.583 0.020 . 2 . . . . 90 LYS HD2 . 16578 1 828 . 1 1 90 90 LYS HD3 H 1 1.578 0.020 . 2 . . . . 90 LYS HD3 . 16578 1 829 . 1 1 90 90 LYS HE2 H 1 2.976 0.020 . 2 . . . . 90 LYS HE2 . 16578 1 830 . 1 1 90 90 LYS HE3 H 1 2.972 0.020 . 2 . . . . 90 LYS HE3 . 16578 1 831 . 1 1 90 90 LYS HG2 H 1 1.497 0.020 . 2 . . . . 90 LYS HG2 . 16578 1 832 . 1 1 90 90 LYS HG3 H 1 1.417 0.020 . 2 . . . . 90 LYS HG3 . 16578 1 833 . 1 1 90 90 LYS CA C 13 55.482 0.400 . 1 . . . . 90 LYS CA . 16578 1 834 . 1 1 90 90 LYS CB C 13 32.276 0.400 . 1 . . . . 90 LYS CB . 16578 1 835 . 1 1 90 90 LYS CD C 13 28.780 0.400 . 1 . . . . 90 LYS CD . 16578 1 836 . 1 1 90 90 LYS CE C 13 41.780 0.400 . 1 . . . . 90 LYS CE . 16578 1 837 . 1 1 90 90 LYS CG C 13 24.712 0.400 . 1 . . . . 90 LYS CG . 16578 1 838 . 1 1 90 90 LYS N N 15 122.390 0.400 . 1 . . . . 90 LYS N . 16578 1 839 . 1 1 91 91 ALA H H 1 8.760 0.020 . 1 . . . . 91 ALA H . 16578 1 840 . 1 1 91 91 ALA HA H 1 4.120 0.020 . 1 . . . . 91 ALA HA . 16578 1 841 . 1 1 91 91 ALA HB1 H 1 1.243 0.020 . 1 . . . . 91 ALA HB . 16578 1 842 . 1 1 91 91 ALA HB2 H 1 1.243 0.020 . 1 . . . . 91 ALA HB . 16578 1 843 . 1 1 91 91 ALA HB3 H 1 1.243 0.020 . 1 . . . . 91 ALA HB . 16578 1 844 . 1 1 91 91 ALA CA C 13 52.229 0.400 . 1 . . . . 91 ALA CA . 16578 1 845 . 1 1 91 91 ALA CB C 13 17.837 0.400 . 1 . . . . 91 ALA CB . 16578 1 846 . 1 1 91 91 ALA N N 15 128.246 0.400 . 1 . . . . 91 ALA N . 16578 1 847 . 1 1 95 95 PHE HA H 1 4.344 0.020 . 1 . . . . 95 PHE HA . 16578 1 848 . 1 1 95 95 PHE HB2 H 1 3.011 0.020 . 2 . . . . 95 PHE HB2 . 16578 1 849 . 1 1 95 95 PHE HB3 H 1 2.781 0.020 . 2 . . . . 95 PHE HB3 . 16578 1 850 . 1 1 95 95 PHE HD1 H 1 6.910 0.020 . 1 . . . . 95 PHE HD1 . 16578 1 851 . 1 1 95 95 PHE HD2 H 1 6.910 0.020 . 1 . . . . 95 PHE HD2 . 16578 1 852 . 1 1 95 95 PHE HE1 H 1 6.950 0.020 . 1 . . . . 95 PHE HE1 . 16578 1 853 . 1 1 95 95 PHE HE2 H 1 6.950 0.020 . 1 . . . . 95 PHE HE2 . 16578 1 854 . 1 1 95 95 PHE HZ H 1 6.920 0.020 . 1 . . . . 95 PHE HZ . 16578 1 855 . 1 1 95 95 PHE CA C 13 61.093 0.400 . 1 . . . . 95 PHE CA . 16578 1 856 . 1 1 95 95 PHE CB C 13 39.528 0.400 . 1 . . . . 95 PHE CB . 16578 1 857 . 1 1 95 95 PHE CD1 C 13 131.380 0.400 . 1 . . . . 95 PHE CD1 . 16578 1 858 . 1 1 95 95 PHE CE1 C 13 130.480 0.400 . 1 . . . . 95 PHE CE1 . 16578 1 859 . 1 1 95 95 PHE CZ C 13 129.110 0.400 . 1 . . . . 95 PHE CZ . 16578 1 860 . 1 1 96 96 THR H H 1 8.308 0.020 . 1 . . . . 96 THR H . 16578 1 861 . 1 1 96 96 THR HA H 1 3.458 0.020 . 1 . . . . 96 THR HA . 16578 1 862 . 1 1 96 96 THR HB H 1 3.027 0.020 . 1 . . . . 96 THR HB . 16578 1 863 . 1 1 96 96 THR HG21 H 1 0.090 0.020 . 1 . . . . 96 THR HG2 . 16578 1 864 . 1 1 96 96 THR HG22 H 1 0.090 0.020 . 1 . . . . 96 THR HG2 . 16578 1 865 . 1 1 96 96 THR HG23 H 1 0.090 0.020 . 1 . . . . 96 THR HG2 . 16578 1 866 . 1 1 96 96 THR CA C 13 64.733 0.400 . 1 . . . . 96 THR CA . 16578 1 867 . 1 1 96 96 THR CB C 13 67.923 0.400 . 1 . . . . 96 THR CB . 16578 1 868 . 1 1 96 96 THR CG2 C 13 21.959 0.400 . 1 . . . . 96 THR CG2 . 16578 1 869 . 1 1 96 96 THR N N 15 111.100 0.400 . 1 . . . . 96 THR N . 16578 1 870 . 1 1 97 97 GLN H H 1 8.432 0.020 . 1 . . . . 97 GLN H . 16578 1 871 . 1 1 97 97 GLN HA H 1 3.832 0.020 . 1 . . . . 97 GLN HA . 16578 1 872 . 1 1 97 97 GLN HB2 H 1 2.014 0.020 . 2 . . . . 97 GLN HB2 . 16578 1 873 . 1 1 97 97 GLN HB3 H 1 1.910 0.020 . 2 . . . . 97 GLN HB3 . 16578 1 874 . 1 1 97 97 GLN HE21 H 1 7.119 0.020 . 2 . . . . 97 GLN HE21 . 16578 1 875 . 1 1 97 97 GLN HE22 H 1 6.952 0.020 . 2 . . . . 97 GLN HE22 . 16578 1 876 . 1 1 97 97 GLN HG2 H 1 2.289 0.020 . 2 . . . . 97 GLN HG2 . 16578 1 877 . 1 1 97 97 GLN HG3 H 1 2.240 0.020 . 2 . . . . 97 GLN HG3 . 16578 1 878 . 1 1 97 97 GLN CA C 13 58.520 0.400 . 1 . . . . 97 GLN CA . 16578 1 879 . 1 1 97 97 GLN CB C 13 27.466 0.400 . 1 . . . . 97 GLN CB . 16578 1 880 . 1 1 97 97 GLN CG C 13 33.662 0.400 . 1 . . . . 97 GLN CG . 16578 1 881 . 1 1 97 97 GLN N N 15 122.815 0.400 . 1 . . . . 97 GLN N . 16578 1 882 . 1 1 98 98 ALA H H 1 7.851 0.020 . 1 . . . . 98 ALA H . 16578 1 883 . 1 1 98 98 ALA HA H 1 4.037 0.020 . 1 . . . . 98 ALA HA . 16578 1 884 . 1 1 98 98 ALA HB1 H 1 1.389 0.020 . 1 . . . . 98 ALA HB . 16578 1 885 . 1 1 98 98 ALA HB2 H 1 1.389 0.020 . 1 . . . . 98 ALA HB . 16578 1 886 . 1 1 98 98 ALA HB3 H 1 1.389 0.020 . 1 . . . . 98 ALA HB . 16578 1 887 . 1 1 98 98 ALA CA C 13 54.970 0.400 . 1 . . . . 98 ALA CA . 16578 1 888 . 1 1 98 98 ALA CB C 13 17.152 0.400 . 1 . . . . 98 ALA CB . 16578 1 889 . 1 1 98 98 ALA N N 15 122.806 0.400 . 1 . . . . 98 ALA N . 16578 1 890 . 1 1 99 99 TYR H H 1 7.262 0.020 . 1 . . . . 99 TYR H . 16578 1 891 . 1 1 99 99 TYR HA H 1 4.550 0.020 . 1 . . . . 99 TYR HA . 16578 1 892 . 1 1 99 99 TYR HB2 H 1 2.818 0.020 . 2 . . . . 99 TYR HB2 . 16578 1 893 . 1 1 99 99 TYR HB3 H 1 2.664 0.020 . 2 . . . . 99 TYR HB3 . 16578 1 894 . 1 1 99 99 TYR HD1 H 1 6.708 0.020 . 1 . . . . 99 TYR HD1 . 16578 1 895 . 1 1 99 99 TYR HD2 H 1 6.708 0.020 . 1 . . . . 99 TYR HD2 . 16578 1 896 . 1 1 99 99 TYR HE1 H 1 6.714 0.020 . 1 . . . . 99 TYR HE1 . 16578 1 897 . 1 1 99 99 TYR HE2 H 1 6.714 0.020 . 1 . . . . 99 TYR HE2 . 16578 1 898 . 1 1 99 99 TYR CA C 13 60.495 0.400 . 1 . . . . 99 TYR CA . 16578 1 899 . 1 1 99 99 TYR CB C 13 37.775 0.400 . 1 . . . . 99 TYR CB . 16578 1 900 . 1 1 99 99 TYR CD1 C 13 132.540 0.400 . 1 . . . . 99 TYR CD1 . 16578 1 901 . 1 1 99 99 TYR CE1 C 13 117.810 0.400 . 1 . . . . 99 TYR CE1 . 16578 1 902 . 1 1 99 99 TYR N N 15 118.253 0.400 . 1 . . . . 99 TYR N . 16578 1 903 . 1 1 100 100 ALA H H 1 8.296 0.020 . 1 . . . . 100 ALA H . 16578 1 904 . 1 1 100 100 ALA HA H 1 3.497 0.020 . 1 . . . . 100 ALA HA . 16578 1 905 . 1 1 100 100 ALA HB1 H 1 1.509 0.020 . 1 . . . . 100 ALA HB . 16578 1 906 . 1 1 100 100 ALA HB2 H 1 1.509 0.020 . 1 . . . . 100 ALA HB . 16578 1 907 . 1 1 100 100 ALA HB3 H 1 1.509 0.020 . 1 . . . . 100 ALA HB . 16578 1 908 . 1 1 100 100 ALA CA C 13 55.654 0.400 . 1 . . . . 100 ALA CA . 16578 1 909 . 1 1 100 100 ALA CB C 13 17.889 0.400 . 1 . . . . 100 ALA CB . 16578 1 910 . 1 1 100 100 ALA N N 15 120.744 0.400 . 1 . . . . 100 ALA N . 16578 1 911 . 1 1 101 101 LYS H H 1 8.016 0.020 . 1 . . . . 101 LYS H . 16578 1 912 . 1 1 101 101 LYS N N 15 117.613 0.400 . 1 . . . . 101 LYS N . 16578 1 913 . 1 1 103 103 MET H H 1 8.593 0.020 . 1 . . . . 103 MET H . 16578 1 914 . 1 1 103 103 MET HA H 1 4.370 0.020 . 1 . . . . 103 MET HA . 16578 1 915 . 1 1 103 103 MET HB2 H 1 2.057 0.020 . 2 . . . . 103 MET HB2 . 16578 1 916 . 1 1 103 103 MET HB3 H 1 1.773 0.020 . 2 . . . . 103 MET HB3 . 16578 1 917 . 1 1 103 103 MET HG2 H 1 2.440 0.020 . 2 . . . . 103 MET HG2 . 16578 1 918 . 1 1 103 103 MET HG3 H 1 2.410 0.020 . 2 . . . . 103 MET HG3 . 16578 1 919 . 1 1 103 103 MET CA C 13 57.069 0.400 . 1 . . . . 103 MET CA . 16578 1 920 . 1 1 103 103 MET CB C 13 31.148 0.400 . 1 . . . . 103 MET CB . 16578 1 921 . 1 1 103 103 MET CG C 13 32.070 0.400 . 1 . . . . 103 MET CG . 16578 1 922 . 1 1 103 103 MET N N 15 115.768 0.400 . 1 . . . . 103 MET N . 16578 1 923 . 1 1 104 104 ASN H H 1 8.055 0.020 . 1 . . . . 104 ASN H . 16578 1 924 . 1 1 104 104 ASN HA H 1 4.540 0.020 . 1 . . . . 104 ASN HA . 16578 1 925 . 1 1 104 104 ASN HB2 H 1 2.984 0.020 . 2 . . . . 104 ASN HB2 . 16578 1 926 . 1 1 104 104 ASN HB3 H 1 2.841 0.020 . 2 . . . . 104 ASN HB3 . 16578 1 927 . 1 1 104 104 ASN CA C 13 57.648 0.400 . 1 . . . . 104 ASN CA . 16578 1 928 . 1 1 104 104 ASN CB C 13 39.151 0.400 . 1 . . . . 104 ASN CB . 16578 1 929 . 1 1 104 104 ASN N N 15 120.736 0.400 . 1 . . . . 104 ASN N . 16578 1 930 . 1 1 105 105 GLN H H 1 7.628 0.020 . 1 . . . . 105 GLN H . 16578 1 931 . 1 1 105 105 GLN HA H 1 3.978 0.020 . 1 . . . . 105 GLN HA . 16578 1 932 . 1 1 105 105 GLN HB2 H 1 2.007 0.020 . 2 . . . . 105 GLN HB2 . 16578 1 933 . 1 1 105 105 GLN HB3 H 1 1.884 0.020 . 2 . . . . 105 GLN HB3 . 16578 1 934 . 1 1 105 105 GLN HE21 H 1 6.981 0.020 . 2 . . . . 105 GLN HE21 . 16578 1 935 . 1 1 105 105 GLN HE22 H 1 6.647 0.020 . 2 . . . . 105 GLN HE22 . 16578 1 936 . 1 1 105 105 GLN HG2 H 1 2.208 0.020 . 2 . . . . 105 GLN HG2 . 16578 1 937 . 1 1 105 105 GLN HG3 H 1 1.959 0.020 . 2 . . . . 105 GLN HG3 . 16578 1 938 . 1 1 105 105 GLN CA C 13 58.164 0.400 . 1 . . . . 105 GLN CA . 16578 1 939 . 1 1 105 105 GLN CB C 13 27.888 0.400 . 1 . . . . 105 GLN CB . 16578 1 940 . 1 1 105 105 GLN CG C 13 32.967 0.400 . 1 . . . . 105 GLN CG . 16578 1 941 . 1 1 105 105 GLN N N 15 119.643 0.400 . 1 . . . . 105 GLN N . 16578 1 942 . 1 1 105 105 GLN NE2 N 15 110.369 0.400 . 1 . . . . 105 GLN NE2 . 16578 1 943 . 1 1 106 106 TYR H H 1 7.393 0.020 . 1 . . . . 106 TYR H . 16578 1 944 . 1 1 106 106 TYR HA H 1 4.712 0.020 . 1 . . . . 106 TYR HA . 16578 1 945 . 1 1 106 106 TYR HB2 H 1 3.555 0.020 . 2 . . . . 106 TYR HB2 . 16578 1 946 . 1 1 106 106 TYR HB3 H 1 2.554 0.020 . 2 . . . . 106 TYR HB3 . 16578 1 947 . 1 1 106 106 TYR HD1 H 1 7.120 0.020 . 1 . . . . 106 TYR HD1 . 16578 1 948 . 1 1 106 106 TYR HD2 H 1 7.120 0.020 . 1 . . . . 106 TYR HD2 . 16578 1 949 . 1 1 106 106 TYR HE1 H 1 6.673 0.020 . 1 . . . . 106 TYR HE1 . 16578 1 950 . 1 1 106 106 TYR HE2 H 1 6.673 0.020 . 1 . . . . 106 TYR HE2 . 16578 1 951 . 1 1 106 106 TYR CA C 13 57.444 0.400 . 1 . . . . 106 TYR CA . 16578 1 952 . 1 1 106 106 TYR CB C 13 39.168 0.400 . 1 . . . . 106 TYR CB . 16578 1 953 . 1 1 106 106 TYR CD1 C 13 132.697 0.400 . 1 . . . . 106 TYR CD1 . 16578 1 954 . 1 1 106 106 TYR CE1 C 13 117.810 0.400 . 1 . . . . 106 TYR CE1 . 16578 1 955 . 1 1 106 106 TYR N N 15 115.807 0.400 . 1 . . . . 106 TYR N . 16578 1 956 . 1 1 107 107 ARG H H 1 7.041 0.020 . 1 . . . . 107 ARG H . 16578 1 957 . 1 1 107 107 ARG HA H 1 3.657 0.020 . 1 . . . . 107 ARG HA . 16578 1 958 . 1 1 107 107 ARG HB2 H 1 1.905 0.020 . 2 . . . . 107 ARG HB2 . 16578 1 959 . 1 1 107 107 ARG HB3 H 1 1.768 0.020 . 2 . . . . 107 ARG HB3 . 16578 1 960 . 1 1 107 107 ARG HD2 H 1 3.271 0.020 . 2 . . . . 107 ARG HD2 . 16578 1 961 . 1 1 107 107 ARG HD3 H 1 3.222 0.020 . 2 . . . . 107 ARG HD3 . 16578 1 962 . 1 1 107 107 ARG HG2 H 1 1.650 0.020 . 2 . . . . 107 ARG HG2 . 16578 1 963 . 1 1 107 107 ARG HG3 H 1 1.647 0.020 . 2 . . . . 107 ARG HG3 . 16578 1 964 . 1 1 107 107 ARG CA C 13 58.414 0.400 . 1 . . . . 107 ARG CA . 16578 1 965 . 1 1 107 107 ARG CB C 13 29.529 0.400 . 1 . . . . 107 ARG CB . 16578 1 966 . 1 1 107 107 ARG CD C 13 43.100 0.400 . 1 . . . . 107 ARG CD . 16578 1 967 . 1 1 107 107 ARG CG C 13 26.778 0.400 . 1 . . . . 107 ARG CG . 16578 1 968 . 1 1 107 107 ARG N N 15 119.080 0.400 . 1 . . . . 107 ARG N . 16578 1 969 . 1 1 108 108 GLY H H 1 8.723 0.020 . 1 . . . . 108 GLY H . 16578 1 970 . 1 1 108 108 GLY HA2 H 1 4.397 0.020 . 2 . . . . 108 GLY HA2 . 16578 1 971 . 1 1 108 108 GLY HA3 H 1 3.543 0.020 . 2 . . . . 108 GLY HA3 . 16578 1 972 . 1 1 108 108 GLY CA C 13 44.311 0.400 . 1 . . . . 108 GLY CA . 16578 1 973 . 1 1 108 108 GLY N N 15 112.166 0.400 . 1 . . . . 108 GLY N . 16578 1 974 . 1 1 109 109 ILE H H 1 7.472 0.020 . 1 . . . . 109 ILE H . 16578 1 975 . 1 1 109 109 ILE HA H 1 4.332 0.020 . 1 . . . . 109 ILE HA . 16578 1 976 . 1 1 109 109 ILE HB H 1 2.351 0.020 . 1 . . . . 109 ILE HB . 16578 1 977 . 1 1 109 109 ILE HD11 H 1 0.943 0.020 . 1 . . . . 109 ILE HD1 . 16578 1 978 . 1 1 109 109 ILE HD12 H 1 0.943 0.020 . 1 . . . . 109 ILE HD1 . 16578 1 979 . 1 1 109 109 ILE HD13 H 1 0.943 0.020 . 1 . . . . 109 ILE HD1 . 16578 1 980 . 1 1 109 109 ILE HG12 H 1 1.647 0.020 . 2 . . . . 109 ILE HG12 . 16578 1 981 . 1 1 109 109 ILE HG13 H 1 1.502 0.020 . 2 . . . . 109 ILE HG13 . 16578 1 982 . 1 1 109 109 ILE HG21 H 1 0.960 0.020 . 1 . . . . 109 ILE HG2 . 16578 1 983 . 1 1 109 109 ILE HG22 H 1 0.960 0.020 . 1 . . . . 109 ILE HG2 . 16578 1 984 . 1 1 109 109 ILE HG23 H 1 0.960 0.020 . 1 . . . . 109 ILE HG2 . 16578 1 985 . 1 1 109 109 ILE CA C 13 61.719 0.400 . 1 . . . . 109 ILE CA . 16578 1 986 . 1 1 109 109 ILE CB C 13 38.568 0.400 . 1 . . . . 109 ILE CB . 16578 1 987 . 1 1 109 109 ILE CD1 C 13 13.410 0.400 . 1 . . . . 109 ILE CD1 . 16578 1 988 . 1 1 109 109 ILE CG1 C 13 27.650 0.400 . 1 . . . . 109 ILE CG1 . 16578 1 989 . 1 1 109 109 ILE CG2 C 13 17.360 0.400 . 1 . . . . 109 ILE CG2 . 16578 1 990 . 1 1 109 109 ILE N N 15 114.051 0.400 . 1 . . . . 109 ILE N . 16578 1 991 . 1 1 110 110 TYR H H 1 6.219 0.020 . 1 . . . . 110 TYR H . 16578 1 992 . 1 1 110 110 TYR HA H 1 6.020 0.020 . 1 . . . . 110 TYR HA . 16578 1 993 . 1 1 110 110 TYR HB2 H 1 2.428 0.020 . 2 . . . . 110 TYR HB2 . 16578 1 994 . 1 1 110 110 TYR HB3 H 1 2.268 0.020 . 2 . . . . 110 TYR HB3 . 16578 1 995 . 1 1 110 110 TYR HD1 H 1 6.158 0.020 . 1 . . . . 110 TYR HD1 . 16578 1 996 . 1 1 110 110 TYR HD2 H 1 6.158 0.020 . 1 . . . . 110 TYR HD2 . 16578 1 997 . 1 1 110 110 TYR CA C 13 52.936 0.400 . 1 . . . . 110 TYR CA . 16578 1 998 . 1 1 110 110 TYR CB C 13 42.596 0.400 . 1 . . . . 110 TYR CB . 16578 1 999 . 1 1 110 110 TYR CD1 C 13 132.540 0.400 . 1 . . . . 110 TYR CD1 . 16578 1 1000 . 1 1 110 110 TYR N N 15 110.810 0.400 . 1 . . . . 110 TYR N . 16578 1 1001 . 1 1 111 111 SER H H 1 8.128 0.020 . 1 . . . . 111 SER H . 16578 1 1002 . 1 1 111 111 SER HA H 1 4.359 0.020 . 1 . . . . 111 SER HA . 16578 1 1003 . 1 1 111 111 SER HB2 H 1 3.868 0.020 . 2 . . . . 111 SER HB2 . 16578 1 1004 . 1 1 111 111 SER HB3 H 1 3.743 0.020 . 2 . . . . 111 SER HB3 . 16578 1 1005 . 1 1 111 111 SER CA C 13 56.362 0.400 . 1 . . . . 111 SER CA . 16578 1 1006 . 1 1 111 111 SER CB C 13 65.290 0.400 . 1 . . . . 111 SER CB . 16578 1 1007 . 1 1 111 111 SER N N 15 114.948 0.400 . 1 . . . . 111 SER N . 16578 1 1008 . 1 1 112 112 PHE H H 1 8.815 0.020 . 1 . . . . 112 PHE H . 16578 1 1009 . 1 1 112 112 PHE HA H 1 5.591 0.020 . 1 . . . . 112 PHE HA . 16578 1 1010 . 1 1 112 112 PHE HB2 H 1 3.443 0.020 . 2 . . . . 112 PHE HB2 . 16578 1 1011 . 1 1 112 112 PHE HB3 H 1 3.439 0.020 . 2 . . . . 112 PHE HB3 . 16578 1 1012 . 1 1 112 112 PHE HD1 H 1 7.031 0.020 . 1 . . . . 112 PHE HD1 . 16578 1 1013 . 1 1 112 112 PHE HD2 H 1 7.031 0.020 . 1 . . . . 112 PHE HD2 . 16578 1 1014 . 1 1 112 112 PHE HE1 H 1 6.949 0.020 . 1 . . . . 112 PHE HE1 . 16578 1 1015 . 1 1 112 112 PHE HE2 H 1 6.949 0.020 . 1 . . . . 112 PHE HE2 . 16578 1 1016 . 1 1 112 112 PHE HZ H 1 6.843 0.020 . 1 . . . . 112 PHE HZ . 16578 1 1017 . 1 1 112 112 PHE CA C 13 57.808 0.400 . 1 . . . . 112 PHE CA . 16578 1 1018 . 1 1 112 112 PHE CB C 13 43.483 0.400 . 1 . . . . 112 PHE CB . 16578 1 1019 . 1 1 112 112 PHE CD1 C 13 131.296 0.400 . 1 . . . . 112 PHE CD1 . 16578 1 1020 . 1 1 112 112 PHE CE1 C 13 130.617 0.400 . 1 . . . . 112 PHE CE1 . 16578 1 1021 . 1 1 112 112 PHE CZ C 13 129.110 0.400 . 1 . . . . 112 PHE CZ . 16578 1 1022 . 1 1 112 112 PHE N N 15 117.599 0.400 . 1 . . . . 112 PHE N . 16578 1 1023 . 1 1 113 113 GLU H H 1 9.162 0.020 . 1 . . . . 113 GLU H . 16578 1 1024 . 1 1 113 113 GLU HA H 1 4.402 0.020 . 1 . . . . 113 GLU HA . 16578 1 1025 . 1 1 113 113 GLU HB2 H 1 1.800 0.020 . 2 . . . . 113 GLU HB2 . 16578 1 1026 . 1 1 113 113 GLU HB3 H 1 1.669 0.020 . 2 . . . . 113 GLU HB3 . 16578 1 1027 . 1 1 113 113 GLU HG2 H 1 2.042 0.020 . 2 . . . . 113 GLU HG2 . 16578 1 1028 . 1 1 113 113 GLU HG3 H 1 1.989 0.020 . 2 . . . . 113 GLU HG3 . 16578 1 1029 . 1 1 113 113 GLU CA C 13 55.672 0.400 . 1 . . . . 113 GLU CA . 16578 1 1030 . 1 1 113 113 GLU CB C 13 32.280 0.400 . 1 . . . . 113 GLU CB . 16578 1 1031 . 1 1 113 113 GLU CG C 13 35.700 0.400 . 1 . . . . 113 GLU CG . 16578 1 1032 . 1 1 113 113 GLU N N 15 122.812 0.400 . 1 . . . . 113 GLU N . 16578 1 1033 . 1 1 114 114 LYS H H 1 8.151 0.020 . 1 . . . . 114 LYS H . 16578 1 1034 . 1 1 114 114 LYS HA H 1 3.629 0.020 . 1 . . . . 114 LYS HA . 16578 1 1035 . 1 1 114 114 LYS HB2 H 1 1.539 0.020 . 2 . . . . 114 LYS HB2 . 16578 1 1036 . 1 1 114 114 LYS HB3 H 1 1.319 0.020 . 2 . . . . 114 LYS HB3 . 16578 1 1037 . 1 1 114 114 LYS HD2 H 1 1.457 0.020 . 2 . . . . 114 LYS HD2 . 16578 1 1038 . 1 1 114 114 LYS HD3 H 1 1.451 0.020 . 2 . . . . 114 LYS HD3 . 16578 1 1039 . 1 1 114 114 LYS HE2 H 1 2.895 0.020 . 2 . . . . 114 LYS HE2 . 16578 1 1040 . 1 1 114 114 LYS HE3 H 1 2.894 0.020 . 2 . . . . 114 LYS HE3 . 16578 1 1041 . 1 1 114 114 LYS HG2 H 1 1.171 0.020 . 2 . . . . 114 LYS HG2 . 16578 1 1042 . 1 1 114 114 LYS HG3 H 1 1.028 0.020 . 2 . . . . 114 LYS HG3 . 16578 1 1043 . 1 1 114 114 LYS CA C 13 54.976 0.400 . 1 . . . . 114 LYS CA . 16578 1 1044 . 1 1 114 114 LYS CB C 13 32.266 0.400 . 1 . . . . 114 LYS CB . 16578 1 1045 . 1 1 114 114 LYS CD C 13 28.780 0.400 . 1 . . . . 114 LYS CD . 16578 1 1046 . 1 1 114 114 LYS CE C 13 41.780 0.400 . 1 . . . . 114 LYS CE . 16578 1 1047 . 1 1 114 114 LYS CG C 13 24.019 0.400 . 1 . . . . 114 LYS CG . 16578 1 1048 . 1 1 114 114 LYS N N 15 128.191 0.400 . 1 . . . . 114 LYS N . 16578 1 1049 . 1 1 115 115 VAL H H 1 8.557 0.020 . 1 . . . . 115 VAL H . 16578 1 1050 . 1 1 115 115 VAL HA H 1 3.958 0.020 . 1 . . . . 115 VAL HA . 16578 1 1051 . 1 1 115 115 VAL HB H 1 1.880 0.020 . 1 . . . . 115 VAL HB . 16578 1 1052 . 1 1 115 115 VAL HG11 H 1 0.838 0.020 . 2 . . . . 115 VAL HG1 . 16578 1 1053 . 1 1 115 115 VAL HG12 H 1 0.838 0.020 . 2 . . . . 115 VAL HG1 . 16578 1 1054 . 1 1 115 115 VAL HG13 H 1 0.838 0.020 . 2 . . . . 115 VAL HG1 . 16578 1 1055 . 1 1 115 115 VAL HG21 H 1 0.834 0.020 . 2 . . . . 115 VAL HG2 . 16578 1 1056 . 1 1 115 115 VAL HG22 H 1 0.834 0.020 . 2 . . . . 115 VAL HG2 . 16578 1 1057 . 1 1 115 115 VAL HG23 H 1 0.834 0.020 . 2 . . . . 115 VAL HG2 . 16578 1 1058 . 1 1 115 115 VAL CA C 13 61.993 0.400 . 1 . . . . 115 VAL CA . 16578 1 1059 . 1 1 115 115 VAL CB C 13 32.808 0.400 . 1 . . . . 115 VAL CB . 16578 1 1060 . 1 1 115 115 VAL CG1 C 13 20.589 0.400 . 1 . . . . 115 VAL CG1 . 16578 1 1061 . 1 1 115 115 VAL CG2 C 13 20.591 0.400 . 1 . . . . 115 VAL CG2 . 16578 1 1062 . 1 1 115 115 VAL N N 15 126.471 0.400 . 1 . . . . 115 VAL N . 16578 1 1063 . 1 1 116 116 LYS H H 1 8.404 0.020 . 1 . . . . 116 LYS H . 16578 1 1064 . 1 1 116 116 LYS HA H 1 4.276 0.020 . 1 . . . . 116 LYS HA . 16578 1 1065 . 1 1 116 116 LYS HB2 H 1 1.765 0.020 . 2 . . . . 116 LYS HB2 . 16578 1 1066 . 1 1 116 116 LYS HB3 H 1 1.675 0.020 . 2 . . . . 116 LYS HB3 . 16578 1 1067 . 1 1 116 116 LYS HD2 H 1 1.661 0.020 . 2 . . . . 116 LYS HD2 . 16578 1 1068 . 1 1 116 116 LYS HD3 H 1 1.659 0.020 . 2 . . . . 116 LYS HD3 . 16578 1 1069 . 1 1 116 116 LYS HE2 H 1 2.991 0.020 . 2 . . . . 116 LYS HE2 . 16578 1 1070 . 1 1 116 116 LYS HE3 H 1 2.988 0.020 . 2 . . . . 116 LYS HE3 . 16578 1 1071 . 1 1 116 116 LYS HG2 H 1 1.486 0.020 . 2 . . . . 116 LYS HG2 . 16578 1 1072 . 1 1 116 116 LYS HG3 H 1 1.417 0.020 . 2 . . . . 116 LYS HG3 . 16578 1 1073 . 1 1 116 116 LYS CA C 13 55.830 0.400 . 1 . . . . 116 LYS CA . 16578 1 1074 . 1 1 116 116 LYS CB C 13 32.812 0.400 . 1 . . . . 116 LYS CB . 16578 1 1075 . 1 1 116 116 LYS CD C 13 28.839 0.400 . 1 . . . . 116 LYS CD . 16578 1 1076 . 1 1 116 116 LYS CE C 13 41.901 0.400 . 1 . . . . 116 LYS CE . 16578 1 1077 . 1 1 116 116 LYS CG C 13 24.714 0.400 . 1 . . . . 116 LYS CG . 16578 1 1078 . 1 1 116 116 LYS N N 15 125.881 0.400 . 1 . . . . 116 LYS N . 16578 1 1079 . 1 1 117 117 ALA H H 1 8.441 0.020 . 1 . . . . 117 ALA H . 16578 1 1080 . 1 1 117 117 ALA HA H 1 4.078 0.020 . 1 . . . . 117 ALA HA . 16578 1 1081 . 1 1 117 117 ALA HB1 H 1 1.241 0.020 . 1 . . . . 117 ALA HB . 16578 1 1082 . 1 1 117 117 ALA HB2 H 1 1.241 0.020 . 1 . . . . 117 ALA HB . 16578 1 1083 . 1 1 117 117 ALA HB3 H 1 1.241 0.020 . 1 . . . . 117 ALA HB . 16578 1 1084 . 1 1 117 117 ALA CA C 13 52.929 0.400 . 1 . . . . 117 ALA CA . 16578 1 1085 . 1 1 117 117 ALA CB C 13 18.533 0.400 . 1 . . . . 117 ALA CB . 16578 1 1086 . 1 1 117 117 ALA N N 15 125.712 0.400 . 1 . . . . 117 ALA N . 16578 1 1087 . 1 1 118 118 HIS H H 1 8.251 0.020 . 1 . . . . 118 HIS H . 16578 1 1088 . 1 1 118 118 HIS HA H 1 4.534 0.020 . 1 . . . . 118 HIS HA . 16578 1 1089 . 1 1 118 118 HIS HB2 H 1 3.283 0.020 . 2 . . . . 118 HIS HB2 . 16578 1 1090 . 1 1 118 118 HIS HB3 H 1 3.282 0.020 . 2 . . . . 118 HIS HB3 . 16578 1 1091 . 1 1 118 118 HIS HD2 H 1 7.107 0.020 . 1 . . . . 118 HIS HD2 . 16578 1 1092 . 1 1 118 118 HIS CA C 13 56.105 0.400 . 1 . . . . 118 HIS CA . 16578 1 1093 . 1 1 118 118 HIS CB C 13 28.158 0.400 . 1 . . . . 118 HIS CB . 16578 1 1094 . 1 1 118 118 HIS CD2 C 13 119.660 0.400 . 1 . . . . 118 HIS CD2 . 16578 1 1095 . 1 1 118 118 HIS N N 15 119.440 0.400 . 1 . . . . 118 HIS N . 16578 1 1096 . 1 1 119 119 SER H H 1 7.970 0.020 . 1 . . . . 119 SER H . 16578 1 1097 . 1 1 119 119 SER HA H 1 4.605 0.020 . 1 . . . . 119 SER HA . 16578 1 1098 . 1 1 119 119 SER HB2 H 1 3.875 0.020 . 2 . . . . 119 SER HB2 . 16578 1 1099 . 1 1 119 119 SER HB3 H 1 3.794 0.020 . 2 . . . . 119 SER HB3 . 16578 1 1100 . 1 1 119 119 SER CA C 13 57.921 0.400 . 1 . . . . 119 SER CA . 16578 1 1101 . 1 1 119 119 SER CB C 13 64.048 0.400 . 1 . . . . 119 SER CB . 16578 1 1102 . 1 1 119 119 SER N N 15 114.111 0.400 . 1 . . . . 119 SER N . 16578 1 1103 . 1 1 120 120 GLY H H 1 8.534 0.020 . 1 . . . . 120 GLY H . 16578 1 1104 . 1 1 120 120 GLY HA2 H 1 3.972 0.020 . 2 . . . . 120 GLY HA2 . 16578 1 1105 . 1 1 120 120 GLY HA3 H 1 3.917 0.020 . 2 . . . . 120 GLY HA3 . 16578 1 1106 . 1 1 120 120 GLY CA C 13 45.465 0.400 . 1 . . . . 120 GLY CA . 16578 1 1107 . 1 1 120 120 GLY N N 15 111.208 0.400 . 1 . . . . 120 GLY N . 16578 1 1108 . 1 1 121 121 ASN H H 1 8.656 0.020 . 1 . . . . 121 ASN H . 16578 1 1109 . 1 1 121 121 ASN HA H 1 4.784 0.020 . 1 . . . . 121 ASN HA . 16578 1 1110 . 1 1 121 121 ASN HB2 H 1 3.038 0.020 . 2 . . . . 121 ASN HB2 . 16578 1 1111 . 1 1 121 121 ASN HB3 H 1 2.943 0.020 . 2 . . . . 121 ASN HB3 . 16578 1 1112 . 1 1 121 121 ASN CA C 13 52.348 0.400 . 1 . . . . 121 ASN CA . 16578 1 1113 . 1 1 121 121 ASN CB C 13 39.732 0.400 . 1 . . . . 121 ASN CB . 16578 1 1114 . 1 1 121 121 ASN N N 15 119.906 0.400 . 1 . . . . 121 ASN N . 16578 1 1115 . 1 1 122 122 GLU H H 1 9.060 0.020 . 1 . . . . 122 GLU H . 16578 1 1116 . 1 1 122 122 GLU HA H 1 4.016 0.020 . 1 . . . . 122 GLU HA . 16578 1 1117 . 1 1 122 122 GLU HB2 H 1 1.625 0.020 . 2 . . . . 122 GLU HB2 . 16578 1 1118 . 1 1 122 122 GLU HB3 H 1 1.608 0.020 . 2 . . . . 122 GLU HB3 . 16578 1 1119 . 1 1 122 122 GLU HG2 H 1 1.337 0.020 . 2 . . . . 122 GLU HG2 . 16578 1 1120 . 1 1 122 122 GLU HG3 H 1 1.334 0.020 . 2 . . . . 122 GLU HG3 . 16578 1 1121 . 1 1 122 122 GLU CA C 13 58.417 0.400 . 1 . . . . 122 GLU CA . 16578 1 1122 . 1 1 122 122 GLU CB C 13 28.747 0.400 . 1 . . . . 122 GLU CB . 16578 1 1123 . 1 1 122 122 GLU CG C 13 34.342 0.400 . 1 . . . . 122 GLU CG . 16578 1 1124 . 1 1 122 122 GLU N N 15 120.320 0.400 . 1 . . . . 122 GLU N . 16578 1 1125 . 1 1 123 123 PHE H H 1 7.969 0.020 . 1 . . . . 123 PHE H . 16578 1 1126 . 1 1 123 123 PHE HA H 1 4.154 0.020 . 1 . . . . 123 PHE HA . 16578 1 1127 . 1 1 123 123 PHE HB2 H 1 1.933 0.020 . 2 . . . . 123 PHE HB2 . 16578 1 1128 . 1 1 123 123 PHE HB3 H 1 1.651 0.020 . 2 . . . . 123 PHE HB3 . 16578 1 1129 . 1 1 123 123 PHE HD1 H 1 6.755 0.020 . 1 . . . . 123 PHE HD1 . 16578 1 1130 . 1 1 123 123 PHE HD2 H 1 6.755 0.020 . 1 . . . . 123 PHE HD2 . 16578 1 1131 . 1 1 123 123 PHE HE1 H 1 7.061 0.020 . 1 . . . . 123 PHE HE1 . 16578 1 1132 . 1 1 123 123 PHE HE2 H 1 7.061 0.020 . 1 . . . . 123 PHE HE2 . 16578 1 1133 . 1 1 123 123 PHE HZ H 1 6.947 0.020 . 1 . . . . 123 PHE HZ . 16578 1 1134 . 1 1 123 123 PHE CA C 13 60.514 0.400 . 1 . . . . 123 PHE CA . 16578 1 1135 . 1 1 123 123 PHE CB C 13 35.332 0.400 . 1 . . . . 123 PHE CB . 16578 1 1136 . 1 1 123 123 PHE CD1 C 13 130.623 0.400 . 1 . . . . 123 PHE CD1 . 16578 1 1137 . 1 1 123 123 PHE CE1 C 13 131.322 0.400 . 1 . . . . 123 PHE CE1 . 16578 1 1138 . 1 1 123 123 PHE CZ C 13 129.256 0.400 . 1 . . . . 123 PHE CZ . 16578 1 1139 . 1 1 123 123 PHE N N 15 121.560 0.400 . 1 . . . . 123 PHE N . 16578 1 1140 . 1 1 124 124 ASN H H 1 7.716 0.020 . 1 . . . . 124 ASN H . 16578 1 1141 . 1 1 124 124 ASN HA H 1 4.584 0.020 . 1 . . . . 124 ASN HA . 16578 1 1142 . 1 1 124 124 ASN HB2 H 1 3.010 0.020 . 2 . . . . 124 ASN HB2 . 16578 1 1143 . 1 1 124 124 ASN HB3 H 1 2.838 0.020 . 2 . . . . 124 ASN HB3 . 16578 1 1144 . 1 1 124 124 ASN CA C 13 57.778 0.400 . 1 . . . . 124 ASN CA . 16578 1 1145 . 1 1 124 124 ASN CB C 13 39.208 0.400 . 1 . . . . 124 ASN CB . 16578 1 1146 . 1 1 124 124 ASN N N 15 118.664 0.400 . 1 . . . . 124 ASN N . 16578 1 1147 . 1 1 125 125 ASP H H 1 7.819 0.020 . 1 . . . . 125 ASP H . 16578 1 1148 . 1 1 125 125 ASP HA H 1 4.325 0.020 . 1 . . . . 125 ASP HA . 16578 1 1149 . 1 1 125 125 ASP HB2 H 1 2.647 0.020 . 2 . . . . 125 ASP HB2 . 16578 1 1150 . 1 1 125 125 ASP HB3 H 1 2.633 0.020 . 2 . . . . 125 ASP HB3 . 16578 1 1151 . 1 1 125 125 ASP CA C 13 57.354 0.400 . 1 . . . . 125 ASP CA . 16578 1 1152 . 1 1 125 125 ASP CB C 13 39.868 0.400 . 1 . . . . 125 ASP CB . 16578 1 1153 . 1 1 125 125 ASP N N 15 118.764 0.400 . 1 . . . . 125 ASP N . 16578 1 1154 . 1 1 126 126 TYR H H 1 7.860 0.020 . 1 . . . . 126 TYR H . 16578 1 1155 . 1 1 126 126 TYR HA H 1 4.121 0.020 . 1 . . . . 126 TYR HA . 16578 1 1156 . 1 1 126 126 TYR HB2 H 1 3.225 0.020 . 2 . . . . 126 TYR HB2 . 16578 1 1157 . 1 1 126 126 TYR HB3 H 1 3.161 0.020 . 2 . . . . 126 TYR HB3 . 16578 1 1158 . 1 1 126 126 TYR HD1 H 1 6.913 0.020 . 1 . . . . 126 TYR HD1 . 16578 1 1159 . 1 1 126 126 TYR HD2 H 1 6.913 0.020 . 1 . . . . 126 TYR HD2 . 16578 1 1160 . 1 1 126 126 TYR HE1 H 1 6.714 0.020 . 1 . . . . 126 TYR HE1 . 16578 1 1161 . 1 1 126 126 TYR HE2 H 1 6.714 0.020 . 1 . . . . 126 TYR HE2 . 16578 1 1162 . 1 1 126 126 TYR CA C 13 61.993 0.400 . 1 . . . . 126 TYR CA . 16578 1 1163 . 1 1 126 126 TYR CB C 13 38.480 0.400 . 1 . . . . 126 TYR CB . 16578 1 1164 . 1 1 126 126 TYR CD1 C 13 132.019 0.400 . 1 . . . . 126 TYR CD1 . 16578 1 1165 . 1 1 126 126 TYR CE1 C 13 117.570 0.400 . 1 . . . . 126 TYR CE1 . 16578 1 1166 . 1 1 126 126 TYR N N 15 120.561 0.400 . 1 . . . . 126 TYR N . 16578 1 1167 . 1 1 127 127 VAL H H 1 7.868 0.020 . 1 . . . . 127 VAL H . 16578 1 1168 . 1 1 127 127 VAL HA H 1 3.737 0.020 . 1 . . . . 127 VAL HA . 16578 1 1169 . 1 1 127 127 VAL HB H 1 2.101 0.020 . 1 . . . . 127 VAL HB . 16578 1 1170 . 1 1 127 127 VAL HG11 H 1 1.347 0.020 . 1 . . . . 127 VAL HG1 . 16578 1 1171 . 1 1 127 127 VAL HG12 H 1 1.347 0.020 . 1 . . . . 127 VAL HG1 . 16578 1 1172 . 1 1 127 127 VAL HG13 H 1 1.347 0.020 . 1 . . . . 127 VAL HG1 . 16578 1 1173 . 1 1 127 127 VAL HG21 H 1 1.141 0.020 . 1 . . . . 127 VAL HG2 . 16578 1 1174 . 1 1 127 127 VAL HG22 H 1 1.141 0.020 . 1 . . . . 127 VAL HG2 . 16578 1 1175 . 1 1 127 127 VAL HG23 H 1 1.141 0.020 . 1 . . . . 127 VAL HG2 . 16578 1 1176 . 1 1 127 127 VAL CA C 13 65.528 0.400 . 1 . . . . 127 VAL CA . 16578 1 1177 . 1 1 127 127 VAL CB C 13 30.909 0.400 . 1 . . . . 127 VAL CB . 16578 1 1178 . 1 1 127 127 VAL CG1 C 13 21.279 0.400 . 1 . . . . 127 VAL CG1 . 16578 1 1179 . 1 1 127 127 VAL CG2 C 13 24.064 0.400 . 1 . . . . 127 VAL CG2 . 16578 1 1180 . 1 1 127 127 VAL N N 15 111.213 0.400 . 1 . . . . 127 VAL N . 16578 1 1181 . 1 1 128 128 ASP H H 1 7.760 0.020 . 1 . . . . 128 ASP H . 16578 1 1182 . 1 1 128 128 ASP HA H 1 4.361 0.020 . 1 . . . . 128 ASP HA . 16578 1 1183 . 1 1 128 128 ASP HB2 H 1 2.919 0.020 . 2 . . . . 128 ASP HB2 . 16578 1 1184 . 1 1 128 128 ASP HB3 H 1 2.758 0.020 . 2 . . . . 128 ASP HB3 . 16578 1 1185 . 1 1 128 128 ASP CA C 13 57.613 0.400 . 1 . . . . 128 ASP CA . 16578 1 1186 . 1 1 128 128 ASP CB C 13 42.328 0.400 . 1 . . . . 128 ASP CB . 16578 1 1187 . 1 1 128 128 ASP N N 15 122.787 0.400 . 1 . . . . 128 ASP N . 16578 1 1188 . 1 1 129 129 MET H H 1 7.925 0.020 . 1 . . . . 129 MET H . 16578 1 1189 . 1 1 129 129 MET HA H 1 3.923 0.020 . 1 . . . . 129 MET HA . 16578 1 1190 . 1 1 129 129 MET HB2 H 1 2.090 0.020 . 2 . . . . 129 MET HB2 . 16578 1 1191 . 1 1 129 129 MET HB3 H 1 2.083 0.020 . 2 . . . . 129 MET HB3 . 16578 1 1192 . 1 1 129 129 MET HE1 H 1 1.879 0.020 . 1 . . . . 129 MET HE . 16578 1 1193 . 1 1 129 129 MET HE2 H 1 1.879 0.020 . 1 . . . . 129 MET HE . 16578 1 1194 . 1 1 129 129 MET HE3 H 1 1.879 0.020 . 1 . . . . 129 MET HE . 16578 1 1195 . 1 1 129 129 MET HG2 H 1 2.383 0.020 . 2 . . . . 129 MET HG2 . 16578 1 1196 . 1 1 129 129 MET HG3 H 1 2.371 0.020 . 2 . . . . 129 MET HG3 . 16578 1 1197 . 1 1 129 129 MET CA C 13 58.448 0.400 . 1 . . . . 129 MET CA . 16578 1 1198 . 1 1 129 129 MET CB C 13 30.915 0.400 . 1 . . . . 129 MET CB . 16578 1 1199 . 1 1 129 129 MET CE C 13 16.457 0.400 . 1 . . . . 129 MET CE . 16578 1 1200 . 1 1 129 129 MET CG C 13 31.593 0.400 . 1 . . . . 129 MET CG . 16578 1 1201 . 1 1 129 129 MET N N 15 117.003 0.400 . 1 . . . . 129 MET N . 16578 1 1202 . 1 1 130 130 LYS H H 1 8.066 0.020 . 1 . . . . 130 LYS H . 16578 1 1203 . 1 1 130 130 LYS HA H 1 3.650 0.020 . 1 . . . . 130 LYS HA . 16578 1 1204 . 1 1 130 130 LYS HB2 H 1 1.529 0.020 . 2 . . . . 130 LYS HB2 . 16578 1 1205 . 1 1 130 130 LYS HB3 H 1 1.328 0.020 . 2 . . . . 130 LYS HB3 . 16578 1 1206 . 1 1 130 130 LYS HD2 H 1 1.614 0.020 . 2 . . . . 130 LYS HD2 . 16578 1 1207 . 1 1 130 130 LYS HD3 H 1 1.336 0.020 . 2 . . . . 130 LYS HD3 . 16578 1 1208 . 1 1 130 130 LYS HE2 H 1 2.894 0.020 . 2 . . . . 130 LYS HE2 . 16578 1 1209 . 1 1 130 130 LYS HE3 H 1 2.892 0.020 . 2 . . . . 130 LYS HE3 . 16578 1 1210 . 1 1 130 130 LYS HG2 H 1 1.156 0.020 . 2 . . . . 130 LYS HG2 . 16578 1 1211 . 1 1 130 130 LYS HG3 H 1 0.910 0.020 . 2 . . . . 130 LYS HG3 . 16578 1 1212 . 1 1 130 130 LYS CA C 13 58.450 0.400 . 1 . . . . 130 LYS CA . 16578 1 1213 . 1 1 130 130 LYS CB C 13 31.760 0.400 . 1 . . . . 130 LYS CB . 16578 1 1214 . 1 1 130 130 LYS CD C 13 28.780 0.400 . 1 . . . . 130 LYS CD . 16578 1 1215 . 1 1 130 130 LYS CE C 13 41.780 0.400 . 1 . . . . 130 LYS CE . 16578 1 1216 . 1 1 130 130 LYS CG C 13 23.344 0.400 . 1 . . . . 130 LYS CG . 16578 1 1217 . 1 1 130 130 LYS N N 15 121.142 0.400 . 1 . . . . 130 LYS N . 16578 1 1218 . 1 1 131 131 ALA H H 1 8.081 0.020 . 1 . . . . 131 ALA H . 16578 1 1219 . 1 1 131 131 ALA HA H 1 3.630 0.020 . 1 . . . . 131 ALA HA . 16578 1 1220 . 1 1 131 131 ALA HB1 H 1 1.272 0.020 . 1 . . . . 131 ALA HB . 16578 1 1221 . 1 1 131 131 ALA HB2 H 1 1.272 0.020 . 1 . . . . 131 ALA HB . 16578 1 1222 . 1 1 131 131 ALA HB3 H 1 1.272 0.020 . 1 . . . . 131 ALA HB . 16578 1 1223 . 1 1 131 131 ALA CA C 13 55.016 0.400 . 1 . . . . 131 ALA CA . 16578 1 1224 . 1 1 131 131 ALA CB C 13 16.472 0.400 . 1 . . . . 131 ALA CB . 16578 1 1225 . 1 1 131 131 ALA N N 15 122.402 0.400 . 1 . . . . 131 ALA N . 16578 1 1226 . 1 1 132 132 LYS H H 1 7.853 0.020 . 1 . . . . 132 LYS H . 16578 1 1227 . 1 1 132 132 LYS HA H 1 3.700 0.020 . 1 . . . . 132 LYS HA . 16578 1 1228 . 1 1 132 132 LYS HB2 H 1 1.666 0.020 . 2 . . . . 132 LYS HB2 . 16578 1 1229 . 1 1 132 132 LYS HB3 H 1 1.636 0.020 . 2 . . . . 132 LYS HB3 . 16578 1 1230 . 1 1 132 132 LYS HD2 H 1 1.478 0.020 . 2 . . . . 132 LYS HD2 . 16578 1 1231 . 1 1 132 132 LYS HD3 H 1 1.471 0.020 . 2 . . . . 132 LYS HD3 . 16578 1 1232 . 1 1 132 132 LYS HE2 H 1 2.931 0.020 . 2 . . . . 132 LYS HE2 . 16578 1 1233 . 1 1 132 132 LYS HE3 H 1 2.931 0.020 . 2 . . . . 132 LYS HE3 . 16578 1 1234 . 1 1 132 132 LYS HG2 H 1 1.224 0.020 . 2 . . . . 132 LYS HG2 . 16578 1 1235 . 1 1 132 132 LYS HG3 H 1 1.215 0.020 . 2 . . . . 132 LYS HG3 . 16578 1 1236 . 1 1 132 132 LYS CA C 13 59.816 0.400 . 1 . . . . 132 LYS CA . 16578 1 1237 . 1 1 132 132 LYS CB C 13 26.846 0.400 . 1 . . . . 132 LYS CB . 16578 1 1238 . 1 1 132 132 LYS CD C 13 28.780 0.400 . 1 . . . . 132 LYS CD . 16578 1 1239 . 1 1 132 132 LYS CE C 13 41.780 0.400 . 1 . . . . 132 LYS CE . 16578 1 1240 . 1 1 132 132 LYS CG C 13 26.811 0.400 . 1 . . . . 132 LYS CG . 16578 1 1241 . 1 1 132 132 LYS N N 15 116.172 0.400 . 1 . . . . 132 LYS N . 16578 1 1242 . 1 1 133 133 SER H H 1 8.438 0.020 . 1 . . . . 133 SER H . 16578 1 1243 . 1 1 133 133 SER HA H 1 4.081 0.020 . 1 . . . . 133 SER HA . 16578 1 1244 . 1 1 133 133 SER HB2 H 1 3.831 0.020 . 2 . . . . 133 SER HB2 . 16578 1 1245 . 1 1 133 133 SER HB3 H 1 3.783 0.020 . 2 . . . . 133 SER HB3 . 16578 1 1246 . 1 1 133 133 SER CA C 13 61.313 0.400 . 1 . . . . 133 SER CA . 16578 1 1247 . 1 1 133 133 SER CB C 13 62.531 0.400 . 1 . . . . 133 SER CB . 16578 1 1248 . 1 1 133 133 SER N N 15 115.225 0.400 . 1 . . . . 133 SER N . 16578 1 1249 . 1 1 134 134 ALA H H 1 7.359 0.020 . 1 . . . . 134 ALA H . 16578 1 1250 . 1 1 134 134 ALA HA H 1 3.919 0.020 . 1 . . . . 134 ALA HA . 16578 1 1251 . 1 1 134 134 ALA HB1 H 1 1.091 0.020 . 1 . . . . 134 ALA HB . 16578 1 1252 . 1 1 134 134 ALA HB2 H 1 1.091 0.020 . 1 . . . . 134 ALA HB . 16578 1 1253 . 1 1 134 134 ALA HB3 H 1 1.091 0.020 . 1 . . . . 134 ALA HB . 16578 1 1254 . 1 1 134 134 ALA CA C 13 54.250 0.400 . 1 . . . . 134 ALA CA . 16578 1 1255 . 1 1 134 134 ALA CB C 13 16.490 0.400 . 1 . . . . 134 ALA CB . 16578 1 1256 . 1 1 134 134 ALA N N 15 124.474 0.400 . 1 . . . . 134 ALA N . 16578 1 1257 . 1 1 135 135 LEU H H 1 6.842 0.020 . 1 . . . . 135 LEU H . 16578 1 1258 . 1 1 135 135 LEU HA H 1 4.064 0.020 . 1 . . . . 135 LEU HA . 16578 1 1259 . 1 1 135 135 LEU HB2 H 1 1.589 0.020 . 2 . . . . 135 LEU HB2 . 16578 1 1260 . 1 1 135 135 LEU HB3 H 1 1.566 0.020 . 2 . . . . 135 LEU HB3 . 16578 1 1261 . 1 1 135 135 LEU HD11 H 1 0.750 0.020 . 1 . . . . 135 LEU HD1 . 16578 1 1262 . 1 1 135 135 LEU HD12 H 1 0.750 0.020 . 1 . . . . 135 LEU HD1 . 16578 1 1263 . 1 1 135 135 LEU HD13 H 1 0.750 0.020 . 1 . . . . 135 LEU HD1 . 16578 1 1264 . 1 1 135 135 LEU HD21 H 1 0.628 0.020 . 1 . . . . 135 LEU HD2 . 16578 1 1265 . 1 1 135 135 LEU HD22 H 1 0.628 0.020 . 1 . . . . 135 LEU HD2 . 16578 1 1266 . 1 1 135 135 LEU HD23 H 1 0.628 0.020 . 1 . . . . 135 LEU HD2 . 16578 1 1267 . 1 1 135 135 LEU HG H 1 1.464 0.020 . 1 . . . . 135 LEU HG . 16578 1 1268 . 1 1 135 135 LEU CA C 13 54.291 0.400 . 1 . . . . 135 LEU CA . 16578 1 1269 . 1 1 135 135 LEU CB C 13 41.904 0.400 . 1 . . . . 135 LEU CB . 16578 1 1270 . 1 1 135 135 LEU CD1 C 13 20.586 0.400 . 1 . . . . 135 LEU CD1 . 16578 1 1271 . 1 1 135 135 LEU CD2 C 13 23.339 0.400 . 1 . . . . 135 LEU CD2 . 16578 1 1272 . 1 1 135 135 LEU CG C 13 26.770 0.400 . 1 . . . . 135 LEU CG . 16578 1 1273 . 1 1 135 135 LEU N N 15 114.515 0.400 . 1 . . . . 135 LEU N . 16578 1 1274 . 1 1 136 136 GLY H H 1 7.705 0.020 . 1 . . . . 136 GLY H . 16578 1 1275 . 1 1 136 136 GLY HA2 H 1 3.937 0.020 . 2 . . . . 136 GLY HA2 . 16578 1 1276 . 1 1 136 136 GLY HA3 H 1 3.707 0.020 . 2 . . . . 136 GLY HA3 . 16578 1 1277 . 1 1 136 136 GLY CA C 13 45.367 0.400 . 1 . . . . 136 GLY CA . 16578 1 1278 . 1 1 136 136 GLY N N 15 107.076 0.400 . 1 . . . . 136 GLY N . 16578 1 1279 . 1 1 137 137 ILE H H 1 7.565 0.020 . 1 . . . . 137 ILE H . 16578 1 1280 . 1 1 137 137 ILE HA H 1 3.967 0.020 . 1 . . . . 137 ILE HA . 16578 1 1281 . 1 1 137 137 ILE HB H 1 1.648 0.020 . 1 . . . . 137 ILE HB . 16578 1 1282 . 1 1 137 137 ILE HD11 H 1 0.765 0.020 . 1 . . . . 137 ILE HD1 . 16578 1 1283 . 1 1 137 137 ILE HD12 H 1 0.765 0.020 . 1 . . . . 137 ILE HD1 . 16578 1 1284 . 1 1 137 137 ILE HD13 H 1 0.765 0.020 . 1 . . . . 137 ILE HD1 . 16578 1 1285 . 1 1 137 137 ILE HG12 H 1 1.309 0.020 . 2 . . . . 137 ILE HG12 . 16578 1 1286 . 1 1 137 137 ILE HG13 H 1 0.992 0.020 . 2 . . . . 137 ILE HG13 . 16578 1 1287 . 1 1 137 137 ILE HG21 H 1 0.778 0.020 . 1 . . . . 137 ILE HG2 . 16578 1 1288 . 1 1 137 137 ILE HG22 H 1 0.778 0.020 . 1 . . . . 137 ILE HG2 . 16578 1 1289 . 1 1 137 137 ILE HG23 H 1 0.778 0.020 . 1 . . . . 137 ILE HG2 . 16578 1 1290 . 1 1 137 137 ILE CA C 13 61.328 0.400 . 1 . . . . 137 ILE CA . 16578 1 1291 . 1 1 137 137 ILE CB C 13 37.996 0.400 . 1 . . . . 137 ILE CB . 16578 1 1292 . 1 1 137 137 ILE CD1 C 13 13.019 0.400 . 1 . . . . 137 ILE CD1 . 16578 1 1293 . 1 1 137 137 ILE CG1 C 13 27.650 0.400 . 1 . . . . 137 ILE CG1 . 16578 1 1294 . 1 1 137 137 ILE CG2 C 13 17.360 0.400 . 1 . . . . 137 ILE CG2 . 16578 1 1295 . 1 1 137 137 ILE N N 15 119.376 0.400 . 1 . . . . 137 ILE N . 16578 1 1296 . 1 1 138 138 ARG H H 1 8.211 0.020 . 1 . . . . 138 ARG H . 16578 1 1297 . 1 1 138 138 ARG HA H 1 4.256 0.020 . 1 . . . . 138 ARG HA . 16578 1 1298 . 1 1 138 138 ARG HB2 H 1 1.751 0.020 . 2 . . . . 138 ARG HB2 . 16578 1 1299 . 1 1 138 138 ARG HB3 H 1 1.620 0.020 . 2 . . . . 138 ARG HB3 . 16578 1 1300 . 1 1 138 138 ARG HD2 H 1 3.079 0.020 . 2 . . . . 138 ARG HD2 . 16578 1 1301 . 1 1 138 138 ARG HD3 H 1 3.078 0.020 . 2 . . . . 138 ARG HD3 . 16578 1 1302 . 1 1 138 138 ARG HG2 H 1 1.499 0.020 . 2 . . . . 138 ARG HG2 . 16578 1 1303 . 1 1 138 138 ARG HG3 H 1 1.498 0.020 . 2 . . . . 138 ARG HG3 . 16578 1 1304 . 1 1 138 138 ARG CA C 13 55.448 0.400 . 1 . . . . 138 ARG CA . 16578 1 1305 . 1 1 138 138 ARG CB C 13 30.992 0.400 . 1 . . . . 138 ARG CB . 16578 1 1306 . 1 1 138 138 ARG CD C 13 42.603 0.400 . 1 . . . . 138 ARG CD . 16578 1 1307 . 1 1 138 138 ARG CG C 13 26.781 0.400 . 1 . . . . 138 ARG CG . 16578 1 1308 . 1 1 138 138 ARG N N 15 124.877 0.400 . 1 . . . . 138 ARG N . 16578 1 1309 . 1 1 139 139 ASP H H 1 8.248 0.020 . 1 . . . . 139 ASP H . 16578 1 1310 . 1 1 139 139 ASP HA H 1 4.540 0.020 . 1 . . . . 139 ASP HA . 16578 1 1311 . 1 1 139 139 ASP HB2 H 1 2.675 0.020 . 2 . . . . 139 ASP HB2 . 16578 1 1312 . 1 1 139 139 ASP HB3 H 1 2.528 0.020 . 2 . . . . 139 ASP HB3 . 16578 1 1313 . 1 1 139 139 ASP CA C 13 53.924 0.400 . 1 . . . . 139 ASP CA . 16578 1 1314 . 1 1 139 139 ASP CB C 13 40.799 0.400 . 1 . . . . 139 ASP CB . 16578 1 1315 . 1 1 139 139 ASP N N 15 121.147 0.400 . 1 . . . . 139 ASP N . 16578 1 1316 . 1 1 140 140 LEU H H 1 8.195 0.020 . 1 . . . . 140 LEU H . 16578 1 1317 . 1 1 140 140 LEU HA H 1 4.164 0.020 . 1 . . . . 140 LEU HA . 16578 1 1318 . 1 1 140 140 LEU HB2 H 1 1.520 0.020 . 2 . . . . 140 LEU HB2 . 16578 1 1319 . 1 1 140 140 LEU HB3 H 1 1.496 0.020 . 2 . . . . 140 LEU HB3 . 16578 1 1320 . 1 1 140 140 LEU HD11 H 1 0.746 0.020 . 1 . . . . 140 LEU HD1 . 16578 1 1321 . 1 1 140 140 LEU HD12 H 1 0.746 0.020 . 1 . . . . 140 LEU HD1 . 16578 1 1322 . 1 1 140 140 LEU HD13 H 1 0.746 0.020 . 1 . . . . 140 LEU HD1 . 16578 1 1323 . 1 1 140 140 LEU HD21 H 1 0.743 0.020 . 1 . . . . 140 LEU HD2 . 16578 1 1324 . 1 1 140 140 LEU HD22 H 1 0.743 0.020 . 1 . . . . 140 LEU HD2 . 16578 1 1325 . 1 1 140 140 LEU HD23 H 1 0.743 0.020 . 1 . . . . 140 LEU HD2 . 16578 1 1326 . 1 1 140 140 LEU HG H 1 1.540 0.020 . 1 . . . . 140 LEU HG . 16578 1 1327 . 1 1 140 140 LEU CA C 13 54.980 0.400 . 1 . . . . 140 LEU CA . 16578 1 1328 . 1 1 140 140 LEU CB C 13 42.074 0.400 . 1 . . . . 140 LEU CB . 16578 1 1329 . 1 1 140 140 LEU CD1 C 13 22.647 0.400 . 1 . . . . 140 LEU CD1 . 16578 1 1330 . 1 1 140 140 LEU CD2 C 13 23.308 0.400 . 1 . . . . 140 LEU CD2 . 16578 1 1331 . 1 1 140 140 LEU CG C 13 26.770 0.400 . 1 . . . . 140 LEU CG . 16578 1 1332 . 1 1 140 140 LEU N N 15 122.330 0.400 . 1 . . . . 140 LEU N . 16578 1 1333 . 1 1 141 141 GLU H H 1 8.257 0.020 . 1 . . . . 141 GLU H . 16578 1 1334 . 1 1 141 141 GLU HA H 1 4.091 0.020 . 1 . . . . 141 GLU HA . 16578 1 1335 . 1 1 141 141 GLU HB2 H 1 1.822 0.020 . 2 . . . . 141 GLU HB2 . 16578 1 1336 . 1 1 141 141 GLU HB3 H 1 1.816 0.020 . 2 . . . . 141 GLU HB3 . 16578 1 1337 . 1 1 141 141 GLU HG2 H 1 2.310 0.020 . 2 . . . . 141 GLU HG2 . 16578 1 1338 . 1 1 141 141 GLU HG3 H 1 2.310 0.020 . 2 . . . . 141 GLU HG3 . 16578 1 1339 . 1 1 141 141 GLU CA C 13 56.692 0.400 . 1 . . . . 141 GLU CA . 16578 1 1340 . 1 1 141 141 GLU CB C 13 30.000 0.400 . 1 . . . . 141 GLU CB . 16578 1 1341 . 1 1 141 141 GLU CG C 13 36.010 0.400 . 1 . . . . 141 GLU CG . 16578 1 1342 . 1 1 141 141 GLU N N 15 119.941 0.400 . 1 . . . . 141 GLU N . 16578 1 1343 . 1 1 142 142 HIS H H 1 8.127 0.020 . 1 . . . . 142 HIS H . 16578 1 1344 . 1 1 142 142 HIS HA H 1 4.568 0.020 . 1 . . . . 142 HIS HA . 16578 1 1345 . 1 1 142 142 HIS HB2 H 1 3.086 0.020 . 2 . . . . 142 HIS HB2 . 16578 1 1346 . 1 1 142 142 HIS HB3 H 1 3.067 0.020 . 2 . . . . 142 HIS HB3 . 16578 1 1347 . 1 1 142 142 HIS HD2 H 1 7.080 0.020 . 1 . . . . 142 HIS HD2 . 16578 1 1348 . 1 1 142 142 HIS HE1 H 1 8.080 0.020 . 1 . . . . 142 HIS HE1 . 16578 1 1349 . 1 1 142 142 HIS CA C 13 55.848 0.400 . 1 . . . . 142 HIS CA . 16578 1 1350 . 1 1 142 142 HIS CB C 13 30.012 0.400 . 1 . . . . 142 HIS CB . 16578 1 1351 . 1 1 142 142 HIS CD2 C 13 119.840 0.400 . 1 . . . . 142 HIS CD2 . 16578 1 1352 . 1 1 142 142 HIS CE1 C 13 136.050 0.400 . 1 . . . . 142 HIS CE1 . 16578 1 1353 . 1 1 142 142 HIS N N 15 118.466 0.400 . 1 . . . . 142 HIS N . 16578 1 1354 . 1 1 143 143 HIS H H 1 8.106 0.020 . 1 . . . . 143 HIS H . 16578 1 1355 . 1 1 143 143 HIS HA H 1 4.620 0.020 . 1 . . . . 143 HIS HA . 16578 1 1356 . 1 1 143 143 HIS HB2 H 1 3.120 0.020 . 2 . . . . 143 HIS HB2 . 16578 1 1357 . 1 1 143 143 HIS HB3 H 1 3.110 0.020 . 2 . . . . 143 HIS HB3 . 16578 1 1358 . 1 1 143 143 HIS HD2 H 1 7.080 0.020 . 1 . . . . 143 HIS HD2 . 16578 1 1359 . 1 1 143 143 HIS HE1 H 1 8.080 0.020 . 1 . . . . 143 HIS HE1 . 16578 1 1360 . 1 1 143 143 HIS CA C 13 57.128 0.400 . 1 . . . . 143 HIS CA . 16578 1 1361 . 1 1 143 143 HIS CB C 13 30.000 0.400 . 1 . . . . 143 HIS CB . 16578 1 1362 . 1 1 143 143 HIS CD2 C 13 119.840 0.400 . 1 . . . . 143 HIS CD2 . 16578 1 1363 . 1 1 143 143 HIS CE1 C 13 136.050 0.400 . 1 . . . . 143 HIS CE1 . 16578 1 1364 . 1 1 143 143 HIS N N 15 125.216 0.400 . 1 . . . . 143 HIS N . 16578 1 stop_ save_