data_4925 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4925 _Entry.Title ; Structural Basis for the Functional switch of the E. Coli Ada Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-05-07 _Entry.Accession_date 2000-12-13 _Entry.Last_release_date 2001-09-12 _Entry.Original_release_date 2001-09-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Yingxi Lin . . . 4925 2 Volker Dotsch . . . 4925 3 T. Wintner . . . 4925 4 Katrina Peariso . . . 4925 5 Lawrence Myers . C. . 4925 6 James Penner-Hahn . E. . 4925 7 Gregory Verdine . L. . 4925 8 Gerhard Wagner . . . 4925 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4925 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 556 4925 '13C chemical shifts' 85 4925 '15N chemical shifts' 90 4925 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 . . 2001-09-12 2000-05-07 original author . 4925 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4925 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21181598 _Citation.DOI . _Citation.PubMed_ID 11284682 _Citation.Full_citation . _Citation.Title 'Structural Basis for the Functional switch of the E. Coli Ada Protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 40 _Citation.Journal_issue 14 _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 4261 _Citation.Page_last 4271 _Citation.Year 2001 _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 Yingxi Lin . . . 4925 1 2 Volker Dotsch . . . 4925 1 3 T. Wintner . . . 4925 1 4 Katrina Peariso . . . 4925 1 5 Lawrence Myers . C. . 4925 1 6 James Penner-Hahn . E. . 4925 1 7 Gregory Verdine . L. . 4925 1 8 Gerhard Wagner . . . 4925 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ADA 4925 1 'DNA Repair' 4925 1 N-Ada10 4925 1 NMR 4925 1 Structure 4925 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_N-Ada10 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_N-Ada10 _Assembly.Entry_ID 4925 _Assembly.ID 1 _Assembly.Name N-Ada10 _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'other bound and free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4925 1 stop_ 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 'N-Ada10 subunit 1' 1 $N-Ada10 . . . native . . . . . 4925 1 2 Zn2+ 2 $ZN . . . native . . . . . 4925 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 38 38 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4925 1 2 coordination single . 1 . 1 CYS 42 42 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4925 1 3 coordination single . 1 . 1 CYS 69 69 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4925 1 4 coordination single . 1 . 1 CYS 72 72 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4925 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID N-Ada10 system 4925 1 N-Ada10 abbreviation 4925 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N-Ada10 _Entity.Sf_category entity _Entity.Sf_framecode N-Ada10 _Entity.Entry_ID 4925 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N-Ada10 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKKATCLTDDQRWQSVLARD PNADGEFVFAVRTTGIFCRP SCRARHALRENVSFYANASE ALAAGFRPCKRCQPDKANPR QHRLDKITHACR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Cys 6 and Cys 91 are free, Cys 38, 42, 69, and 72 are bound to the Zinc atom. ; _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . REF YP_670153 . 'ADA regulatory protein [Escherichia coli 536]' . . . . . 100.00 354 98.91 98.91 2.16e-48 . . . . 4925 1 . . REF YP_408500 . 'O6-methylguanine-DNA methyltransferase; transcription activator/repressor [Shigella boydii Sb227]' . . . . . 100.00 354 98.91 98.91 2.11e-48 . . . . 4925 1 . . REF YP_311153 . 'O6-methylguanine-DNA methyltransferase [Shigella sonnei Ss046]' . . . . . 100.00 354 98.91 98.91 2.11e-48 . . . . 4925 1 . . REF NP_837823 . 'O6-methylguanine-DNA methyltransferase; transcription activator/repressor [Shigella flexneri 2a str. 2457T]' . . . . . 100.00 354 98.91 98.91 2.11e-48 . . . . 4925 1 . . REF NP_708108 . 'O6-methylguanine-DNA methyltransferase; transcription activator/repressor [Shigella flexneri 2a str. 301]' . . . . . 100.00 354 98.91 98.91 2.11e-48 . . . . 4925 1 . . GenBank ABB66672 . 'O6-methylguanine-DNA methyltransferase; transcription activator/repressor [Shigella boydii Sb227]' . . . . . 100.00 354 98.91 98.91 2.11e-48 . . . . 4925 1 . . GenBank AAZ88918 . 'O6-methylguanine-DNA methyltransferase [Shigella sonnei Ss046]' . . . . . 100.00 354 98.91 98.91 2.11e-48 . . . . 4925 1 . . GenBank AAP17632 . 'O6-methylguanine-DNA methyltransferase; transcription activator/repressor [Shigella flexneri 2a str. 2457T]' . . . . . 100.00 354 98.91 98.91 2.11e-48 . . . . 4925 1 . . GenBank AAN43815 . 'O6-methylguanine-DNA methyltransferase; transcription activator/repressor [Shigella flexneri 2a str. 301]' . . . . . 100.00 354 98.91 98.91 2.11e-48 . . . . 4925 1 . . GenBank AAA23413 . 'Ada polyprotein' . . . . . 100.00 354 100.00 100.00 5.37e-49 . . . . 4925 1 . . PDB 1ZGW . 'Nmr Structure Of E. Coli Ada Protein In Complex With Dna' . . . . . 100.00 139 98.91 98.91 3.42e-47 . . . . 4925 1 . . PDB 1U8B . 'Crystal Structure Of The Methylated N-AdaDNA COMPLEX' . . . . . 91.30 133 98.81 98.81 2.46e-42 . . . . 4925 1 . . PDB 1EYF . 'Refined Structure Of The Dna Methyl Phosphotriester Repair Domain Of E. Coli Ada' . . . . . 98.91 92 100.00 100.00 4.82e-47 . . . . 4925 1 . . PDB 1ADN . 'Solution Structure Of The Dna Methylphosphotriester Repair Domain Of Escherichia Coli Ada' . . . . . 100.00 92 100.00 100.00 1.82e-47 . . . . 4925 1 . . BMRB 6605 . Ada . . . . . 100.00 139 98.91 98.91 3.54e-47 . . . . 4925 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID N-Ada10 common 4925 1 N-Ada10 abbreviation 4925 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 . 4925 1 2 . LYS . 4925 1 3 . LYS . 4925 1 4 . ALA . 4925 1 5 . THR . 4925 1 6 . CYS . 4925 1 7 . LEU . 4925 1 8 . THR . 4925 1 9 . ASP . 4925 1 10 . ASP . 4925 1 11 . GLN . 4925 1 12 . ARG . 4925 1 13 . TRP . 4925 1 14 . GLN . 4925 1 15 . SER . 4925 1 16 . VAL . 4925 1 17 . LEU . 4925 1 18 . ALA . 4925 1 19 . ARG . 4925 1 20 . ASP . 4925 1 21 . PRO . 4925 1 22 . ASN . 4925 1 23 . ALA . 4925 1 24 . ASP . 4925 1 25 . GLY . 4925 1 26 . GLU . 4925 1 27 . PHE . 4925 1 28 . VAL . 4925 1 29 . PHE . 4925 1 30 . ALA . 4925 1 31 . VAL . 4925 1 32 . ARG . 4925 1 33 . THR . 4925 1 34 . THR . 4925 1 35 . GLY . 4925 1 36 . ILE . 4925 1 37 . PHE . 4925 1 38 . CYS . 4925 1 39 . ARG . 4925 1 40 . PRO . 4925 1 41 . SER . 4925 1 42 . CYS . 4925 1 43 . ARG . 4925 1 44 . ALA . 4925 1 45 . ARG . 4925 1 46 . HIS . 4925 1 47 . ALA . 4925 1 48 . LEU . 4925 1 49 . ARG . 4925 1 50 . GLU . 4925 1 51 . ASN . 4925 1 52 . VAL . 4925 1 53 . SER . 4925 1 54 . PHE . 4925 1 55 . TYR . 4925 1 56 . ALA . 4925 1 57 . ASN . 4925 1 58 . ALA . 4925 1 59 . SER . 4925 1 60 . GLU . 4925 1 61 . ALA . 4925 1 62 . LEU . 4925 1 63 . ALA . 4925 1 64 . ALA . 4925 1 65 . GLY . 4925 1 66 . PHE . 4925 1 67 . ARG . 4925 1 68 . PRO . 4925 1 69 . CYS . 4925 1 70 . LYS . 4925 1 71 . ARG . 4925 1 72 . CYS . 4925 1 73 . GLN . 4925 1 74 . PRO . 4925 1 75 . ASP . 4925 1 76 . LYS . 4925 1 77 . ALA . 4925 1 78 . ASN . 4925 1 79 . PRO . 4925 1 80 . ARG . 4925 1 81 . GLN . 4925 1 82 . HIS . 4925 1 83 . ARG . 4925 1 84 . LEU . 4925 1 85 . ASP . 4925 1 86 . LYS . 4925 1 87 . ILE . 4925 1 88 . THR . 4925 1 89 . HIS . 4925 1 90 . ALA . 4925 1 91 . CYS . 4925 1 92 . ARG . 4925 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 4925 1 . LYS 2 2 4925 1 . LYS 3 3 4925 1 . ALA 4 4 4925 1 . THR 5 5 4925 1 . CYS 6 6 4925 1 . LEU 7 7 4925 1 . THR 8 8 4925 1 . ASP 9 9 4925 1 . ASP 10 10 4925 1 . GLN 11 11 4925 1 . ARG 12 12 4925 1 . TRP 13 13 4925 1 . GLN 14 14 4925 1 . SER 15 15 4925 1 . VAL 16 16 4925 1 . LEU 17 17 4925 1 . ALA 18 18 4925 1 . ARG 19 19 4925 1 . ASP 20 20 4925 1 . PRO 21 21 4925 1 . ASN 22 22 4925 1 . ALA 23 23 4925 1 . ASP 24 24 4925 1 . GLY 25 25 4925 1 . GLU 26 26 4925 1 . PHE 27 27 4925 1 . VAL 28 28 4925 1 . PHE 29 29 4925 1 . ALA 30 30 4925 1 . VAL 31 31 4925 1 . ARG 32 32 4925 1 . THR 33 33 4925 1 . THR 34 34 4925 1 . GLY 35 35 4925 1 . ILE 36 36 4925 1 . PHE 37 37 4925 1 . CYS 38 38 4925 1 . ARG 39 39 4925 1 . PRO 40 40 4925 1 . SER 41 41 4925 1 . CYS 42 42 4925 1 . ARG 43 43 4925 1 . ALA 44 44 4925 1 . ARG 45 45 4925 1 . HIS 46 46 4925 1 . ALA 47 47 4925 1 . LEU 48 48 4925 1 . ARG 49 49 4925 1 . GLU 50 50 4925 1 . ASN 51 51 4925 1 . VAL 52 52 4925 1 . SER 53 53 4925 1 . PHE 54 54 4925 1 . TYR 55 55 4925 1 . ALA 56 56 4925 1 . ASN 57 57 4925 1 . ALA 58 58 4925 1 . SER 59 59 4925 1 . GLU 60 60 4925 1 . ALA 61 61 4925 1 . LEU 62 62 4925 1 . ALA 63 63 4925 1 . ALA 64 64 4925 1 . GLY 65 65 4925 1 . PHE 66 66 4925 1 . ARG 67 67 4925 1 . PRO 68 68 4925 1 . CYS 69 69 4925 1 . LYS 70 70 4925 1 . ARG 71 71 4925 1 . CYS 72 72 4925 1 . GLN 73 73 4925 1 . PRO 74 74 4925 1 . ASP 75 75 4925 1 . LYS 76 76 4925 1 . ALA 77 77 4925 1 . ASN 78 78 4925 1 . PRO 79 79 4925 1 . ARG 80 80 4925 1 . GLN 81 81 4925 1 . HIS 82 82 4925 1 . ARG 83 83 4925 1 . LEU 84 84 4925 1 . ASP 85 85 4925 1 . LYS 86 86 4925 1 . ILE 87 87 4925 1 . THR 88 88 4925 1 . HIS 89 89 4925 1 . ALA 90 90 4925 1 . CYS 91 91 4925 1 . ARG 92 92 4925 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 4925 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 4925 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4925 _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 $N-Ada10 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4925 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 4925 _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 $N-Ada10 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4925 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 4925 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Zn+2] SMILES ACDLabs 10.04 4925 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 4925 ZN [Zn++] SMILES CACTVS 3.341 4925 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4925 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 4925 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 4925 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 4925 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 4925 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4925 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4925 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4925 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 N-Ada10 '[U-15N; U-13C]' . . 1 $N-Ada10 . . . 2 3 mM . . . . 4925 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond1 _Sample_condition_list.Entry_ID 4925 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 0.1 n/a 4925 1 temperature 298 1 K 4925 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4925 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity-plus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4925 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity-plus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 450 save_ save_NMR_spectrometer3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer3 _NMR_spectrometer.Entry_ID 4925 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer4 _NMR_spectrometer.Entry_ID 4925 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4925 _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 NMR_spectrometer1 Varian Unity-plus . 750 . . . 4925 1 2 NMR_spectrometer2 Varian Unity-plus . 450 . . . 4925 1 3 NMR_spectrometer3 Bruker AMX . 500 . . . 4925 1 4 NMR_spectrometer4 Bruker AMX . 600 . . . 4925 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 4925 _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 '1H-15N NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond1 . . . . . . . . . . . . . . . . . . . . . 4925 1 2 '1H-15N TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond1 . . . . . . . . . . . . . . . . . . . . . 4925 1 3 '2D NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond1 . . . . . . . . . . . . . . . . . . . . . 4925 1 4 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond1 . . . . . . . . . . . . . . . . . . . . . 4925 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4925 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4925 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4925 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4925 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4925 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.0 external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4925 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4925 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4925 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4925 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N NOESY' 1 $sample_1 . 4925 1 2 '1H-15N TOCSY' 1 $sample_1 . 4925 1 3 '2D NOESY' 1 $sample_1 . 4925 1 4 HCCH-TOCSY 1 $sample_1 . 4925 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 ALA H H 1 8.453 0.02 . 1 . . . . . . . . 4925 1 2 . 1 1 4 4 ALA HA H 1 4.361 0.02 . 1 . . . . . . . . 4925 1 3 . 1 1 4 4 ALA HB1 H 1 1.401 0.02 . 1 . . . . . . . . 4925 1 4 . 1 1 4 4 ALA HB2 H 1 1.401 0.02 . 1 . . . . . . . . 4925 1 5 . 1 1 4 4 ALA HB3 H 1 1.401 0.02 . 1 . . . . . . . . 4925 1 6 . 1 1 4 4 ALA CA C 13 52.3 0.02 . 1 . . . . . . . . 4925 1 7 . 1 1 4 4 ALA N N 15 126.854 0.02 . 1 . . . . . . . . 4925 1 8 . 1 1 5 5 THR H H 1 8.453 0.02 . 1 . . . . . . . . 4925 1 9 . 1 1 5 5 THR HA H 1 4.316 0.02 . 1 . . . . . . . . 4925 1 10 . 1 1 5 5 THR HB H 1 4.198 0.02 . 1 . . . . . . . . 4925 1 11 . 1 1 5 5 THR HG21 H 1 1.2 0.02 . 1 . . . . . . . . 4925 1 12 . 1 1 5 5 THR HG22 H 1 1.2 0.02 . 1 . . . . . . . . 4925 1 13 . 1 1 5 5 THR HG23 H 1 1.2 0.02 . 1 . . . . . . . . 4925 1 14 . 1 1 5 5 THR CA C 13 62.24 0.02 . 1 . . . . . . . . 4925 1 15 . 1 1 5 5 THR N N 15 114.521 0.02 . 1 . . . . . . . . 4925 1 16 . 1 1 6 6 CYS H H 1 8.74 0.02 . 1 . . . . . . . . 4925 1 17 . 1 1 6 6 CYS HA H 1 4.493 0.02 . 1 . . . . . . . . 4925 1 18 . 1 1 6 6 CYS HB2 H 1 2.9 0.02 . 2 . . . . . . . . 4925 1 19 . 1 1 6 6 CYS HB3 H 1 2.702 0.02 . 2 . . . . . . . . 4925 1 20 . 1 1 6 6 CYS CA C 13 58.33 0.02 . 1 . . . . . . . . 4925 1 21 . 1 1 6 6 CYS N N 15 122.768 0.02 . 1 . . . . . . . . 4925 1 22 . 1 1 7 7 LEU H H 1 8.382 0.02 . 1 . . . . . . . . 4925 1 23 . 1 1 7 7 LEU HA H 1 4.444 0.02 . 1 . . . . . . . . 4925 1 24 . 1 1 7 7 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 4925 1 25 . 1 1 7 7 LEU HB3 H 1 1.503 0.02 . 2 . . . . . . . . 4925 1 26 . 1 1 7 7 LEU HD11 H 1 0.9 0.02 . 1 . . . . . . . . 4925 1 27 . 1 1 7 7 LEU HD12 H 1 0.9 0.02 . 1 . . . . . . . . 4925 1 28 . 1 1 7 7 LEU HD13 H 1 0.9 0.02 . 1 . . . . . . . . 4925 1 29 . 1 1 7 7 LEU HD21 H 1 0.8 0.02 . 1 . . . . . . . . 4925 1 30 . 1 1 7 7 LEU HD22 H 1 0.8 0.02 . 1 . . . . . . . . 4925 1 31 . 1 1 7 7 LEU HD23 H 1 0.8 0.02 . 1 . . . . . . . . 4925 1 32 . 1 1 7 7 LEU CA C 13 55.38 0.02 . 1 . . . . . . . . 4925 1 33 . 1 1 7 7 LEU N N 15 123.771 0.02 . 1 . . . . . . . . 4925 1 34 . 1 1 8 8 THR H H 1 7.943 0.02 . 1 . . . . . . . . 4925 1 35 . 1 1 8 8 THR HA H 1 4.48 0.02 . 1 . . . . . . . . 4925 1 36 . 1 1 8 8 THR HB H 1 4.534 0.02 . 1 . . . . . . . . 4925 1 37 . 1 1 8 8 THR HG21 H 1 1.191 0.02 . 1 . . . . . . . . 4925 1 38 . 1 1 8 8 THR HG22 H 1 1.191 0.02 . 1 . . . . . . . . 4925 1 39 . 1 1 8 8 THR HG23 H 1 1.191 0.02 . 1 . . . . . . . . 4925 1 40 . 1 1 8 8 THR CA C 13 60.03 0.02 . 1 . . . . . . . . 4925 1 41 . 1 1 8 8 THR N N 15 110.41 0.02 . 1 . . . . . . . . 4925 1 42 . 1 1 9 9 ASP H H 1 8.941 0.02 . 1 . . . . . . . . 4925 1 43 . 1 1 9 9 ASP HA H 1 3.8 0.02 . 1 . . . . . . . . 4925 1 44 . 1 1 9 9 ASP HB2 H 1 2.571 0.02 . 1 . . . . . . . . 4925 1 45 . 1 1 9 9 ASP HB3 H 1 2.571 0.02 . 1 . . . . . . . . 4925 1 46 . 1 1 9 9 ASP CA C 13 57.23 0.02 . 1 . . . . . . . . 4925 1 47 . 1 1 9 9 ASP N N 15 122.768 0.02 . 1 . . . . . . . . 4925 1 48 . 1 1 10 10 ASP H H 1 8.153 0.02 . 1 . . . . . . . . 4925 1 49 . 1 1 10 10 ASP HA H 1 4.467 0.02 . 1 . . . . . . . . 4925 1 50 . 1 1 10 10 ASP HB2 H 1 2.575 0.02 . 2 . . . . . . . . 4925 1 51 . 1 1 10 10 ASP HB3 H 1 2.694 0.02 . 2 . . . . . . . . 4925 1 52 . 1 1 10 10 ASP CA C 13 57.51 0.02 . 1 . . . . . . . . 4925 1 53 . 1 1 10 10 ASP N N 15 119.146 0.02 . 1 . . . . . . . . 4925 1 54 . 1 1 11 11 GLN H H 1 7.609 0.02 . 1 . . . . . . . . 4925 1 55 . 1 1 11 11 GLN HA H 1 4.001 0.02 . 1 . . . . . . . . 4925 1 56 . 1 1 11 11 GLN HB2 H 1 2.191 0.02 . 2 . . . . . . . . 4925 1 57 . 1 1 11 11 GLN HB3 H 1 2.049 0.02 . 2 . . . . . . . . 4925 1 58 . 1 1 11 11 GLN HG2 H 1 2.41 0.02 . 1 . . . . . . . . 4925 1 59 . 1 1 11 11 GLN HG3 H 1 2.41 0.02 . 1 . . . . . . . . 4925 1 60 . 1 1 11 11 GLN HE21 H 1 7.489 0.02 . 1 . . . . . . . . 4925 1 61 . 1 1 11 11 GLN HE22 H 1 6.778 0.02 . 1 . . . . . . . . 4925 1 62 . 1 1 11 11 GLN CA C 13 58.83 0.02 . 1 . . . . . . . . 4925 1 63 . 1 1 11 11 GLN N N 15 120.571 0.02 . 1 . . . . . . . . 4925 1 64 . 1 1 11 11 GLN NE2 N 15 111.5 0.02 . 1 . . . . . . . . 4925 1 65 . 1 1 12 12 ARG H H 1 8.042 0.02 . 1 . . . . . . . . 4925 1 66 . 1 1 12 12 ARG HA H 1 3.352 0.02 . 1 . . . . . . . . 4925 1 67 . 1 1 12 12 ARG HB2 H 1 0.531 0.02 . 2 . . . . . . . . 4925 1 68 . 1 1 12 12 ARG HB3 H 1 -0.197 0.02 . 2 . . . . . . . . 4925 1 69 . 1 1 12 12 ARG HG2 H 1 1.126 0.02 . 2 . . . . . . . . 4925 1 70 . 1 1 12 12 ARG HG3 H 1 0.048 0.02 . 2 . . . . . . . . 4925 1 71 . 1 1 12 12 ARG HD2 H 1 2.07 0.02 . 2 . . . . . . . . 4925 1 72 . 1 1 12 12 ARG HD3 H 1 1.7 0.02 . 2 . . . . . . . . 4925 1 73 . 1 1 12 12 ARG CA C 13 59.13 0.02 . 1 . . . . . . . . 4925 1 74 . 1 1 12 12 ARG N N 15 120.7 0.02 . 1 . . . . . . . . 4925 1 75 . 1 1 13 13 TRP H H 1 8.372 0.02 . 1 . . . . . . . . 4925 1 76 . 1 1 13 13 TRP HA H 1 4.659 0.02 . 1 . . . . . . . . 4925 1 77 . 1 1 13 13 TRP HB2 H 1 3.319 0.02 . 1 . . . . . . . . 4925 1 78 . 1 1 13 13 TRP HB3 H 1 3.385 0.02 . 1 . . . . . . . . 4925 1 79 . 1 1 13 13 TRP HD1 H 1 7.238 0.02 . 1 . . . . . . . . 4925 1 80 . 1 1 13 13 TRP HE1 H 1 10.375 0.02 . 1 . . . . . . . . 4925 1 81 . 1 1 13 13 TRP HE3 H 1 7.334 0.02 . 1 . . . . . . . . 4925 1 82 . 1 1 13 13 TRP HZ2 H 1 7.468 0.02 . 1 . . . . . . . . 4925 1 83 . 1 1 13 13 TRP HZ3 H 1 6.447 0.02 . 1 . . . . . . . . 4925 1 84 . 1 1 13 13 TRP HH2 H 1 7.080 0.02 . 1 . . . . . . . . 4925 1 85 . 1 1 13 13 TRP CA C 13 58.95 0.02 . 1 . . . . . . . . 4925 1 86 . 1 1 13 13 TRP N N 15 119.146 0.02 . 1 . . . . . . . . 4925 1 87 . 1 1 13 13 TRP NE1 N 15 129.3 0.02 . 1 . . . . . . . . 4925 1 88 . 1 1 14 14 GLN H H 1 7.782 0.02 . 1 . . . . . . . . 4925 1 89 . 1 1 14 14 GLN HA H 1 3.71 0.02 . 1 . . . . . . . . 4925 1 90 . 1 1 14 14 GLN HB2 H 1 2.172 0.02 . 1 . . . . . . . . 4925 1 91 . 1 1 14 14 GLN HB3 H 1 2.172 0.02 . 1 . . . . . . . . 4925 1 92 . 1 1 14 14 GLN HG2 H 1 2.534 0.02 . 1 . . . . . . . . 4925 1 93 . 1 1 14 14 GLN HG3 H 1 2.534 0.02 . 1 . . . . . . . . 4925 1 94 . 1 1 14 14 GLN HE21 H 1 7.620 0.02 . 1 . . . . . . . . 4925 1 95 . 1 1 14 14 GLN HE22 H 1 6.884 0.02 . 1 . . . . . . . . 4925 1 96 . 1 1 14 14 GLN CA C 13 59.05 0.02 . 1 . . . . . . . . 4925 1 97 . 1 1 14 14 GLN N N 15 116.078 0.02 . 1 . . . . . . . . 4925 1 98 . 1 1 14 14 GLN NE2 N 15 113.0 0.02 . 1 . . . . . . . . 4925 1 99 . 1 1 15 15 SER H H 1 7.84 0.02 . 1 . . . . . . . . 4925 1 100 . 1 1 15 15 SER HA H 1 4.338 0.02 . 1 . . . . . . . . 4925 1 101 . 1 1 15 15 SER HB2 H 1 3.855 0.02 . 1 . . . . . . . . 4925 1 102 . 1 1 15 15 SER HB3 H 1 3.855 0.02 . 1 . . . . . . . . 4925 1 103 . 1 1 15 15 SER CA C 13 63.82 0.02 . 1 . . . . . . . . 4925 1 104 . 1 1 15 15 SER N N 15 117.089 0.02 . 1 . . . . . . . . 4925 1 105 . 1 1 16 16 VAL H H 1 7.707 0.02 . 1 . . . . . . . . 4925 1 106 . 1 1 16 16 VAL HA H 1 3.718 0.02 . 1 . . . . . . . . 4925 1 107 . 1 1 16 16 VAL HB H 1 1.852 0.02 . 1 . . . . . . . . 4925 1 108 . 1 1 16 16 VAL HG11 H 1 1.14 0.02 . 1 . . . . . . . . 4925 1 109 . 1 1 16 16 VAL HG12 H 1 1.14 0.02 . 1 . . . . . . . . 4925 1 110 . 1 1 16 16 VAL HG13 H 1 1.14 0.02 . 1 . . . . . . . . 4925 1 111 . 1 1 16 16 VAL HG21 H 1 -0.202 0.02 . 1 . . . . . . . . 4925 1 112 . 1 1 16 16 VAL HG22 H 1 -0.202 0.02 . 1 . . . . . . . . 4925 1 113 . 1 1 16 16 VAL HG23 H 1 -0.202 0.02 . 1 . . . . . . . . 4925 1 114 . 1 1 16 16 VAL CA C 13 66.36 0.02 . 1 . . . . . . . . 4925 1 115 . 1 1 16 16 VAL N N 15 123.262 0.02 . 1 . . . . . . . . 4925 1 116 . 1 1 17 17 LEU H H 1 8.066 0.02 . 1 . . . . . . . . 4925 1 117 . 1 1 17 17 LEU HA H 1 3.309 0.02 . 1 . . . . . . . . 4925 1 118 . 1 1 17 17 LEU HB2 H 1 1.07 0.02 . 1 . . . . . . . . 4925 1 119 . 1 1 17 17 LEU HB3 H 1 1.434 0.02 . 1 . . . . . . . . 4925 1 120 . 1 1 17 17 LEU HG H 1 0.358 0.02 . 1 . . . . . . . . 4925 1 121 . 1 1 17 17 LEU HD11 H 1 0.555 0.02 . 1 . . . . . . . . 4925 1 122 . 1 1 17 17 LEU HD12 H 1 0.555 0.02 . 1 . . . . . . . . 4925 1 123 . 1 1 17 17 LEU HD13 H 1 0.555 0.02 . 1 . . . . . . . . 4925 1 124 . 1 1 17 17 LEU HD21 H 1 0.23 0.02 . 1 . . . . . . . . 4925 1 125 . 1 1 17 17 LEU HD22 H 1 0.23 0.02 . 1 . . . . . . . . 4925 1 126 . 1 1 17 17 LEU HD23 H 1 0.23 0.02 . 1 . . . . . . . . 4925 1 127 . 1 1 17 17 LEU CA C 13 57.51 0.02 . 1 . . . . . . . . 4925 1 128 . 1 1 17 17 LEU N N 15 110.143 0.02 . 1 . . . . . . . . 4925 1 129 . 1 1 18 18 ALA H H 1 7.387 0.02 . 1 . . . . . . . . 4925 1 130 . 1 1 18 18 ALA HA H 1 4.165 0.02 . 1 . . . . . . . . 4925 1 131 . 1 1 18 18 ALA HB1 H 1 1.405 0.02 . 1 . . . . . . . . 4925 1 132 . 1 1 18 18 ALA HB2 H 1 1.405 0.02 . 1 . . . . . . . . 4925 1 133 . 1 1 18 18 ALA HB3 H 1 1.405 0.02 . 1 . . . . . . . . 4925 1 134 . 1 1 18 18 ALA CA C 13 51.9 0.02 . 1 . . . . . . . . 4925 1 135 . 1 1 18 18 ALA N N 15 117.604 0.02 . 1 . . . . . . . . 4925 1 136 . 1 1 19 19 ARG H H 1 8.101 0.02 . 1 . . . . . . . . 4925 1 137 . 1 1 19 19 ARG HA H 1 4.255 0.02 . 1 . . . . . . . . 4925 1 138 . 1 1 19 19 ARG HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4925 1 139 . 1 1 19 19 ARG HB3 H 1 1.545 0.02 . 2 . . . . . . . . 4925 1 140 . 1 1 19 19 ARG CA C 13 56 0.02 . 1 . . . . . . . . 4925 1 141 . 1 1 19 19 ARG N N 15 121.149 0.02 . 1 . . . . . . . . 4925 1 142 . 1 1 20 20 ASP H H 1 7.617 0.02 . 1 . . . . . . . . 4925 1 143 . 1 1 20 20 ASP HA H 1 4.578 0.02 . 1 . . . . . . . . 4925 1 144 . 1 1 20 20 ASP HB2 H 1 2.829 0.02 . 1 . . . . . . . . 4925 1 145 . 1 1 20 20 ASP HB3 H 1 2.556 0.02 . 1 . . . . . . . . 4925 1 146 . 1 1 20 20 ASP CA C 13 51.51 0.02 . 1 . . . . . . . . 4925 1 147 . 1 1 20 20 ASP N N 15 117.09 0.02 . 1 . . . . . . . . 4925 1 148 . 1 1 21 21 PRO HA H 1 4.371 0.02 . 1 . . . . . . . . 4925 1 149 . 1 1 21 21 PRO HB2 H 1 2.305 0.02 . 2 . . . . . . . . 4925 1 150 . 1 1 21 21 PRO HB3 H 1 2.009 0.02 . 2 . . . . . . . . 4925 1 151 . 1 1 21 21 PRO HG2 H 1 2.02 0.02 . 1 . . . . . . . . 4925 1 152 . 1 1 21 21 PRO HG3 H 1 2.02 0.02 . 1 . . . . . . . . 4925 1 153 . 1 1 21 21 PRO HD2 H 1 4.426 0.02 . 2 . . . . . . . . 4925 1 154 . 1 1 21 21 PRO HD3 H 1 4.014 0.02 . 2 . . . . . . . . 4925 1 155 . 1 1 21 21 PRO CA C 13 64 0.02 . 1 . . . . . . . . 4925 1 156 . 1 1 22 22 ASN H H 1 8.519 0.02 . 1 . . . . . . . . 4925 1 157 . 1 1 22 22 ASN HA H 1 4.515 0.02 . 1 . . . . . . . . 4925 1 158 . 1 1 22 22 ASN HB2 H 1 2.95 0.02 . 1 . . . . . . . . 4925 1 159 . 1 1 22 22 ASN HB3 H 1 2.752 0.02 . 1 . . . . . . . . 4925 1 160 . 1 1 22 22 ASN HD21 H 1 7.045 0.02 . 1 . . . . . . . . 4925 1 161 . 1 1 22 22 ASN HD22 H 1 8.130 0.02 . 1 . . . . . . . . 4925 1 162 . 1 1 22 22 ASN CA C 13 55.05 0.02 . 1 . . . . . . . . 4925 1 163 . 1 1 22 22 ASN N N 15 117.09 0.02 . 1 . . . . . . . . 4925 1 164 . 1 1 22 22 ASN ND2 N 15 115.7 0.02 . 1 . . . . . . . . 4925 1 165 . 1 1 23 23 ALA H H 1 7.755 0.02 . 1 . . . . . . . . 4925 1 166 . 1 1 23 23 ALA HA H 1 4.394 0.02 . 1 . . . . . . . . 4925 1 167 . 1 1 23 23 ALA HB1 H 1 1.472 0.02 . 1 . . . . . . . . 4925 1 168 . 1 1 23 23 ALA HB2 H 1 1.472 0.02 . 1 . . . . . . . . 4925 1 169 . 1 1 23 23 ALA HB3 H 1 1.472 0.02 . 1 . . . . . . . . 4925 1 170 . 1 1 23 23 ALA CA C 13 51.67 0.02 . 1 . . . . . . . . 4925 1 171 . 1 1 23 23 ALA N N 15 120.701 0.02 . 1 . . . . . . . . 4925 1 172 . 1 1 24 24 ASP H H 1 7.213 0.02 . 1 . . . . . . . . 4925 1 173 . 1 1 24 24 ASP HA H 1 4.4 0.02 . 1 . . . . . . . . 4925 1 174 . 1 1 24 24 ASP HB2 H 1 2.515 0.02 . 1 . . . . . . . . 4925 1 175 . 1 1 24 24 ASP HB3 H 1 2.943 0.02 . 1 . . . . . . . . 4925 1 176 . 1 1 24 24 ASP CA C 13 56.49 0.02 . 1 . . . . . . . . 4925 1 177 . 1 1 24 24 ASP N N 15 120.687 0.02 . 1 . . . . . . . . 4925 1 178 . 1 1 25 25 GLY H H 1 9.673 0.02 . 1 . . . . . . . . 4925 1 179 . 1 1 25 25 GLY HA2 H 1 4.291 0.02 . 2 . . . . . . . . 4925 1 180 . 1 1 25 25 GLY HA3 H 1 3.723 0.02 . 2 . . . . . . . . 4925 1 181 . 1 1 25 25 GLY CA C 13 45.11 0.02 . 1 . . . . . . . . 4925 1 182 . 1 1 25 25 GLY N N 15 111.951 0.02 . 1 . . . . . . . . 4925 1 183 . 1 1 26 26 GLU H H 1 8.376 0.02 . 1 . . . . . . . . 4925 1 184 . 1 1 26 26 GLU HA H 1 4.421 0.02 . 1 . . . . . . . . 4925 1 185 . 1 1 26 26 GLU HB2 H 1 2.397 0.02 . 2 . . . . . . . . 4925 1 186 . 1 1 26 26 GLU HB3 H 1 2.443 0.02 . 2 . . . . . . . . 4925 1 187 . 1 1 26 26 GLU HG2 H 1 2.505 0.02 . 2 . . . . . . . . 4925 1 188 . 1 1 26 26 GLU HG3 H 1 2.245 0.02 . 2 . . . . . . . . 4925 1 189 . 1 1 26 26 GLU CA C 13 57.89 0.02 . 1 . . . . . . . . 4925 1 190 . 1 1 26 26 GLU N N 15 121.241 0.02 . 1 . . . . . . . . 4925 1 191 . 1 1 27 27 PHE H H 1 7.295 0.02 . 1 . . . . . . . . 4925 1 192 . 1 1 27 27 PHE HA H 1 5.1 0.02 . 1 . . . . . . . . 4925 1 193 . 1 1 27 27 PHE HB2 H 1 3.582 0.02 . 1 . . . . . . . . 4925 1 194 . 1 1 27 27 PHE HB3 H 1 3.426 0.02 . 1 . . . . . . . . 4925 1 195 . 1 1 27 27 PHE HD1 H 1 7.247 0.02 . 1 . . . . . . . . 4925 1 196 . 1 1 27 27 PHE HD2 H 1 7.247 0.02 . 1 . . . . . . . . 4925 1 197 . 1 1 27 27 PHE HE1 H 1 7.325 0.02 . 1 . . . . . . . . 4925 1 198 . 1 1 27 27 PHE HE2 H 1 7.325 0.02 . 1 . . . . . . . . 4925 1 199 . 1 1 27 27 PHE HZ H 1 7.473 0.02 . 1 . . . . . . . . 4925 1 200 . 1 1 27 27 PHE CA C 13 56.17 0.02 . 1 . . . . . . . . 4925 1 201 . 1 1 27 27 PHE N N 15 110.431 0.02 . 1 . . . . . . . . 4925 1 202 . 1 1 28 28 VAL H H 1 9.038 0.02 . 1 . . . . . . . . 4925 1 203 . 1 1 28 28 VAL HA H 1 5.035 0.02 . 1 . . . . . . . . 4925 1 204 . 1 1 28 28 VAL HB H 1 2.358 0.02 . 1 . . . . . . . . 4925 1 205 . 1 1 28 28 VAL HG11 H 1 0.414 0.02 . 1 . . . . . . . . 4925 1 206 . 1 1 28 28 VAL HG12 H 1 0.414 0.02 . 1 . . . . . . . . 4925 1 207 . 1 1 28 28 VAL HG13 H 1 0.414 0.02 . 1 . . . . . . . . 4925 1 208 . 1 1 28 28 VAL HG21 H 1 0.856 0.02 . 1 . . . . . . . . 4925 1 209 . 1 1 28 28 VAL HG22 H 1 0.856 0.02 . 1 . . . . . . . . 4925 1 210 . 1 1 28 28 VAL HG23 H 1 0.856 0.02 . 1 . . . . . . . . 4925 1 211 . 1 1 28 28 VAL CA C 13 59.66 0.02 . 1 . . . . . . . . 4925 1 212 . 1 1 28 28 VAL N N 15 109.901 0.02 . 1 . . . . . . . . 4925 1 213 . 1 1 29 29 PHE H H 1 9.14 0.02 . 1 . . . . . . . . 4925 1 214 . 1 1 29 29 PHE HA H 1 5.962 0.02 . 1 . . . . . . . . 4925 1 215 . 1 1 29 29 PHE HB2 H 1 2.92 0.02 . 1 . . . . . . . . 4925 1 216 . 1 1 29 29 PHE HB3 H 1 3.085 0.02 . 1 . . . . . . . . 4925 1 217 . 1 1 29 29 PHE HD1 H 1 6.875 0.02 . 1 . . . . . . . . 4925 1 218 . 1 1 29 29 PHE HD2 H 1 6.875 0.02 . 1 . . . . . . . . 4925 1 219 . 1 1 29 29 PHE HE1 H 1 7.466 0.02 . 1 . . . . . . . . 4925 1 220 . 1 1 29 29 PHE HE2 H 1 7.466 0.02 . 1 . . . . . . . . 4925 1 221 . 1 1 29 29 PHE HZ H 1 7.636 0.02 . 1 . . . . . . . . 4925 1 222 . 1 1 29 29 PHE CA C 13 54.67 0.02 . 1 . . . . . . . . 4925 1 223 . 1 1 29 29 PHE N N 15 120.174 0.02 . 1 . . . . . . . . 4925 1 224 . 1 1 30 30 ALA H H 1 9.432 0.02 . 1 . . . . . . . . 4925 1 225 . 1 1 30 30 ALA HA H 1 4.826 0.02 . 1 . . . . . . . . 4925 1 226 . 1 1 30 30 ALA HB1 H 1 0.141 0.02 . 1 . . . . . . . . 4925 1 227 . 1 1 30 30 ALA HB2 H 1 0.141 0.02 . 1 . . . . . . . . 4925 1 228 . 1 1 30 30 ALA HB3 H 1 0.141 0.02 . 1 . . . . . . . . 4925 1 229 . 1 1 30 30 ALA CA C 13 49.71 0.02 . 1 . . . . . . . . 4925 1 230 . 1 1 30 30 ALA N N 15 125.826 0.02 . 1 . . . . . . . . 4925 1 231 . 1 1 31 31 VAL H H 1 8.167 0.02 . 1 . . . . . . . . 4925 1 232 . 1 1 31 31 VAL HA H 1 4.72 0.02 . 1 . . . . . . . . 4925 1 233 . 1 1 31 31 VAL HB H 1 2.411 0.02 . 1 . . . . . . . . 4925 1 234 . 1 1 31 31 VAL HG11 H 1 1.173 0.02 . 1 . . . . . . . . 4925 1 235 . 1 1 31 31 VAL HG12 H 1 1.173 0.02 . 1 . . . . . . . . 4925 1 236 . 1 1 31 31 VAL HG13 H 1 1.173 0.02 . 1 . . . . . . . . 4925 1 237 . 1 1 31 31 VAL HG21 H 1 1.207 0.02 . 1 . . . . . . . . 4925 1 238 . 1 1 31 31 VAL HG22 H 1 1.207 0.02 . 1 . . . . . . . . 4925 1 239 . 1 1 31 31 VAL HG23 H 1 1.207 0.02 . 1 . . . . . . . . 4925 1 240 . 1 1 31 31 VAL CA C 13 61.87 0.02 . 1 . . . . . . . . 4925 1 241 . 1 1 31 31 VAL N N 15 122.237 0.02 . 1 . . . . . . . . 4925 1 242 . 1 1 32 32 ARG H H 1 9.225 0.02 . 1 . . . . . . . . 4925 1 243 . 1 1 32 32 ARG HA H 1 4.279 0.02 . 1 . . . . . . . . 4925 1 244 . 1 1 32 32 ARG HB2 H 1 2.079 0.02 . 1 . . . . . . . . 4925 1 245 . 1 1 32 32 ARG HB3 H 1 2.079 0.02 . 1 . . . . . . . . 4925 1 246 . 1 1 32 32 ARG HG2 H 1 1.781 0.02 . 1 . . . . . . . . 4925 1 247 . 1 1 32 32 ARG HG3 H 1 1.781 0.02 . 1 . . . . . . . . 4925 1 248 . 1 1 32 32 ARG HD2 H 1 3.361 0.02 . 2 . . . . . . . . 4925 1 249 . 1 1 32 32 ARG HD3 H 1 3.324 0.02 . 2 . . . . . . . . 4925 1 250 . 1 1 32 32 ARG CA C 13 60.02 0.02 . 1 . . . . . . . . 4925 1 251 . 1 1 32 32 ARG N N 15 127.914 0.02 . 1 . . . . . . . . 4925 1 252 . 1 1 33 33 THR H H 1 7.508 0.02 . 1 . . . . . . . . 4925 1 253 . 1 1 33 33 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 4925 1 254 . 1 1 33 33 THR HB H 1 4.21 0.02 . 1 . . . . . . . . 4925 1 255 . 1 1 33 33 THR HG21 H 1 1.277 0.02 . 1 . . . . . . . . 4925 1 256 . 1 1 33 33 THR HG22 H 1 1.277 0.02 . 1 . . . . . . . . 4925 1 257 . 1 1 33 33 THR HG23 H 1 1.277 0.02 . 1 . . . . . . . . 4925 1 258 . 1 1 33 33 THR CA C 13 63.46 0.02 . 1 . . . . . . . . 4925 1 259 . 1 1 33 33 THR N N 15 105.785 0.02 . 1 . . . . . . . . 4925 1 260 . 1 1 34 34 THR H H 1 7.153 0.02 . 1 . . . . . . . . 4925 1 261 . 1 1 34 34 THR HA H 1 4.57 0.02 . 1 . . . . . . . . 4925 1 262 . 1 1 34 34 THR HB H 1 4.348 0.02 . 1 . . . . . . . . 4925 1 263 . 1 1 34 34 THR HG21 H 1 1.228 0.02 . 1 . . . . . . . . 4925 1 264 . 1 1 34 34 THR HG22 H 1 1.228 0.02 . 1 . . . . . . . . 4925 1 265 . 1 1 34 34 THR HG23 H 1 1.228 0.02 . 1 . . . . . . . . 4925 1 266 . 1 1 34 34 THR CA C 13 61.54 0.02 . 1 . . . . . . . . 4925 1 267 . 1 1 34 34 THR N N 15 108.372 0.02 . 1 . . . . . . . . 4925 1 268 . 1 1 35 35 GLY H H 1 8.521 0.02 . 1 . . . . . . . . 4925 1 269 . 1 1 35 35 GLY HA2 H 1 4.314 0.02 . 2 . . . . . . . . 4925 1 270 . 1 1 35 35 GLY HA3 H 1 3.942 0.02 . 2 . . . . . . . . 4925 1 271 . 1 1 35 35 GLY CA C 13 46.48 0.02 . 1 . . . . . . . . 4925 1 272 . 1 1 35 35 GLY N N 15 109.896 0.02 . 1 . . . . . . . . 4925 1 273 . 1 1 36 36 ILE H H 1 7.683 0.02 . 1 . . . . . . . . 4925 1 274 . 1 1 36 36 ILE HA H 1 5.504 0.02 . 1 . . . . . . . . 4925 1 275 . 1 1 36 36 ILE HB H 1 1.786 0.02 . 1 . . . . . . . . 4925 1 276 . 1 1 36 36 ILE HG12 H 1 1.114 0.02 . 1 . . . . . . . . 4925 1 277 . 1 1 36 36 ILE HG13 H 1 1.476 0.02 . 1 . . . . . . . . 4925 1 278 . 1 1 36 36 ILE HG21 H 1 0.875 0.02 . 1 . . . . . . . . 4925 1 279 . 1 1 36 36 ILE HG22 H 1 0.875 0.02 . 1 . . . . . . . . 4925 1 280 . 1 1 36 36 ILE HG23 H 1 0.875 0.02 . 1 . . . . . . . . 4925 1 281 . 1 1 36 36 ILE HD11 H 1 0.821 0.02 . 1 . . . . . . . . 4925 1 282 . 1 1 36 36 ILE HD12 H 1 0.821 0.02 . 1 . . . . . . . . 4925 1 283 . 1 1 36 36 ILE HD13 H 1 0.821 0.02 . 1 . . . . . . . . 4925 1 284 . 1 1 36 36 ILE CA C 13 59.02 0.02 . 1 . . . . . . . . 4925 1 285 . 1 1 36 36 ILE N N 15 122.75 0.02 . 1 . . . . . . . . 4925 1 286 . 1 1 37 37 PHE H H 1 8.782 0.02 . 1 . . . . . . . . 4925 1 287 . 1 1 37 37 PHE HA H 1 5.816 0.02 . 1 . . . . . . . . 4925 1 288 . 1 1 37 37 PHE HB2 H 1 2.741 0.02 . 1 . . . . . . . . 4925 1 289 . 1 1 37 37 PHE HB3 H 1 2.251 0.02 . 1 . . . . . . . . 4925 1 290 . 1 1 37 37 PHE HD1 H 1 6.747 0.02 . 1 . . . . . . . . 4925 1 291 . 1 1 37 37 PHE HD2 H 1 6.747 0.02 . 1 . . . . . . . . 4925 1 292 . 1 1 37 37 PHE HE1 H 1 6.889 0.02 . 1 . . . . . . . . 4925 1 293 . 1 1 37 37 PHE HE2 H 1 6.889 0.02 . 1 . . . . . . . . 4925 1 294 . 1 1 37 37 PHE HZ H 1 7.011 0.02 . 1 . . . . . . . . 4925 1 295 . 1 1 37 37 PHE CA C 13 54.57 0.02 . 1 . . . . . . . . 4925 1 296 . 1 1 37 37 PHE N N 15 124.46 0.02 . 1 . . . . . . . . 4925 1 297 . 1 1 38 38 CYS H H 1 8.428 0.02 . 1 . . . . . . . . 4925 1 298 . 1 1 38 38 CYS HA H 1 4.208 0.02 . 1 . . . . . . . . 4925 1 299 . 1 1 38 38 CYS HB2 H 1 2.958 0.02 . 1 . . . . . . . . 4925 1 300 . 1 1 38 38 CYS HB3 H 1 0.82 0.02 . 1 . . . . . . . . 4925 1 301 . 1 1 38 38 CYS CA C 13 61.24 0.02 . 1 . . . . . . . . 4925 1 302 . 1 1 38 38 CYS N N 15 118.632 0.02 . 1 . . . . . . . . 4925 1 303 . 1 1 39 39 ARG H H 1 9.348 0.02 . 1 . . . . . . . . 4925 1 304 . 1 1 39 39 ARG HA H 1 4.897 0.02 . 1 . . . . . . . . 4925 1 305 . 1 1 39 39 ARG HB2 H 1 1.793 0.02 . 2 . . . . . . . . 4925 1 306 . 1 1 39 39 ARG HB3 H 1 1.896 0.02 . 2 . . . . . . . . 4925 1 307 . 1 1 39 39 ARG HG2 H 1 1.593 0.02 . 2 . . . . . . . . 4925 1 308 . 1 1 39 39 ARG HG3 H 1 1.563 0.02 . 2 . . . . . . . . 4925 1 309 . 1 1 39 39 ARG HD2 H 1 3.212 0.02 . 2 . . . . . . . . 4925 1 310 . 1 1 39 39 ARG HD3 H 1 3.165 0.02 . 2 . . . . . . . . 4925 1 311 . 1 1 39 39 ARG CA C 13 63.44 0.02 . 1 . . . . . . . . 4925 1 312 . 1 1 39 39 ARG N N 15 121.201 0.02 . 1 . . . . . . . . 4925 1 313 . 1 1 40 40 PRO HA H 1 4.436 0.02 . 1 . . . . . . . . 4925 1 314 . 1 1 40 40 PRO HB2 H 1 1.859 0.02 . 1 . . . . . . . . 4925 1 315 . 1 1 40 40 PRO HB3 H 1 1.859 0.02 . 1 . . . . . . . . 4925 1 316 . 1 1 40 40 PRO HG2 H 1 1.588 0.02 . 2 . . . . . . . . 4925 1 317 . 1 1 40 40 PRO HG3 H 1 0.945 0.02 . 2 . . . . . . . . 4925 1 318 . 1 1 40 40 PRO HD2 H 1 3.65 0.02 . 2 . . . . . . . . 4925 1 319 . 1 1 40 40 PRO HD3 H 1 4.066 0.02 . 2 . . . . . . . . 4925 1 320 . 1 1 40 40 PRO CA C 13 66.08 0.02 . 1 . . . . . . . . 4925 1 321 . 1 1 41 41 SER H H 1 8.604 0.02 . 1 . . . . . . . . 4925 1 322 . 1 1 41 41 SER HA H 1 3.72 0.02 . 1 . . . . . . . . 4925 1 323 . 1 1 41 41 SER HB2 H 1 4.003 0.02 . 2 . . . . . . . . 4925 1 324 . 1 1 41 41 SER HB3 H 1 3.411 0.02 . 2 . . . . . . . . 4925 1 325 . 1 1 41 41 SER CA C 13 58.59 0.02 . 1 . . . . . . . . 4925 1 326 . 1 1 41 41 SER N N 15 108.354 0.02 . 1 . . . . . . . . 4925 1 327 . 1 1 42 42 CYS H H 1 8.095 0.02 . 1 . . . . . . . . 4925 1 328 . 1 1 42 42 CYS HA H 1 3.942 0.02 . 1 . . . . . . . . 4925 1 329 . 1 1 42 42 CYS HB2 H 1 3.517 0.02 . 1 . . . . . . . . 4925 1 330 . 1 1 42 42 CYS HB3 H 1 3.215 0.02 . 1 . . . . . . . . 4925 1 331 . 1 1 42 42 CYS CA C 13 62.77 0.02 . 1 . . . . . . . . 4925 1 332 . 1 1 42 42 CYS N N 15 125.826 0.02 . 1 . . . . . . . . 4925 1 333 . 1 1 43 43 ARG H H 1 8.596 0.02 . 1 . . . . . . . . 4925 1 334 . 1 1 43 43 ARG HA H 1 3.992 0.02 . 1 . . . . . . . . 4925 1 335 . 1 1 43 43 ARG HB2 H 1 1.746 0.02 . 1 . . . . . . . . 4925 1 336 . 1 1 43 43 ARG HB3 H 1 2.066 0.02 . 1 . . . . . . . . 4925 1 337 . 1 1 43 43 ARG HG2 H 1 1.898 0.02 . 1 . . . . . . . . 4925 1 338 . 1 1 43 43 ARG HG3 H 1 1.898 0.02 . 1 . . . . . . . . 4925 1 339 . 1 1 43 43 ARG HD2 H 1 3.244 0.02 . 1 . . . . . . . . 4925 1 340 . 1 1 43 43 ARG HD3 H 1 3.244 0.02 . 1 . . . . . . . . 4925 1 341 . 1 1 43 43 ARG CA C 13 57.21 0.02 . 1 . . . . . . . . 4925 1 342 . 1 1 43 43 ARG N N 15 126.84 0.02 . 1 . . . . . . . . 4925 1 343 . 1 1 44 44 ALA H H 1 8.758 0.02 . 1 . . . . . . . . 4925 1 344 . 1 1 44 44 ALA HA H 1 4.187 0.02 . 1 . . . . . . . . 4925 1 345 . 1 1 44 44 ALA HB1 H 1 1.516 0.02 . 1 . . . . . . . . 4925 1 346 . 1 1 44 44 ALA HB2 H 1 1.516 0.02 . 1 . . . . . . . . 4925 1 347 . 1 1 44 44 ALA HB3 H 1 1.516 0.02 . 1 . . . . . . . . 4925 1 348 . 1 1 44 44 ALA CA C 13 53.13 0.02 . 1 . . . . . . . . 4925 1 349 . 1 1 44 44 ALA N N 15 125.52 0.02 . 1 . . . . . . . . 4925 1 350 . 1 1 45 45 ARG H H 1 8.464 0.02 . 1 . . . . . . . . 4925 1 351 . 1 1 45 45 ARG HA H 1 3.941 0.02 . 1 . . . . . . . . 4925 1 352 . 1 1 45 45 ARG HB2 H 1 1.827 0.02 . 2 . . . . . . . . 4925 1 353 . 1 1 45 45 ARG HB3 H 1 1.766 0.02 . 2 . . . . . . . . 4925 1 354 . 1 1 45 45 ARG HG2 H 1 1.73 0.02 . 1 . . . . . . . . 4925 1 355 . 1 1 45 45 ARG HG3 H 1 1.73 0.02 . 1 . . . . . . . . 4925 1 356 . 1 1 45 45 ARG HD2 H 1 3.238 0.02 . 1 . . . . . . . . 4925 1 357 . 1 1 45 45 ARG HD3 H 1 3.238 0.02 . 1 . . . . . . . . 4925 1 358 . 1 1 45 45 ARG CA C 13 56.52 0.02 . 1 . . . . . . . . 4925 1 359 . 1 1 45 45 ARG N N 15 121.201 0.02 . 1 . . . . . . . . 4925 1 360 . 1 1 46 46 HIS H H 1 8.842 0.02 . 1 . . . . . . . . 4925 1 361 . 1 1 46 46 HIS HA H 1 4.789 0.02 . 1 . . . . . . . . 4925 1 362 . 1 1 46 46 HIS HB2 H 1 3.267 0.02 . 2 . . . . . . . . 4925 1 363 . 1 1 46 46 HIS HB3 H 1 3.1 0.02 . 2 . . . . . . . . 4925 1 364 . 1 1 46 46 HIS HD2 H 1 7.19 0.02 . 1 . . . . . . . . 4925 1 365 . 1 1 46 46 HIS HE1 H 1 8.129 0.02 . 1 . . . . . . . . 4925 1 366 . 1 1 46 46 HIS N N 15 123.13 0.02 . 1 . . . . . . . . 4925 1 367 . 1 1 47 47 ALA H H 1 8.248 0.02 . 1 . . . . . . . . 4925 1 368 . 1 1 47 47 ALA HA H 1 4.562 0.02 . 1 . . . . . . . . 4925 1 369 . 1 1 47 47 ALA HB1 H 1 1.557 0.02 . 1 . . . . . . . . 4925 1 370 . 1 1 47 47 ALA HB2 H 1 1.557 0.02 . 1 . . . . . . . . 4925 1 371 . 1 1 47 47 ALA HB3 H 1 1.557 0.02 . 1 . . . . . . . . 4925 1 372 . 1 1 47 47 ALA CA C 13 50.53 0.02 . 1 . . . . . . . . 4925 1 373 . 1 1 47 47 ALA N N 15 125.312 0.02 . 1 . . . . . . . . 4925 1 374 . 1 1 48 48 LEU H H 1 8.131 0.02 . 1 . . . . . . . . 4925 1 375 . 1 1 48 48 LEU HA H 1 4.426 0.02 . 1 . . . . . . . . 4925 1 376 . 1 1 48 48 LEU HB2 H 1 1.602 0.02 . 2 . . . . . . . . 4925 1 377 . 1 1 48 48 LEU HB3 H 1 1.688 0.02 . 2 . . . . . . . . 4925 1 378 . 1 1 48 48 LEU HG H 1 1.808 0.02 . 1 . . . . . . . . 4925 1 379 . 1 1 48 48 LEU HD11 H 1 0.985 0.02 . 1 . . . . . . . . 4925 1 380 . 1 1 48 48 LEU HD12 H 1 0.985 0.02 . 1 . . . . . . . . 4925 1 381 . 1 1 48 48 LEU HD13 H 1 0.985 0.02 . 1 . . . . . . . . 4925 1 382 . 1 1 48 48 LEU HD21 H 1 0.95 0.02 . 1 . . . . . . . . 4925 1 383 . 1 1 48 48 LEU HD22 H 1 0.95 0.02 . 1 . . . . . . . . 4925 1 384 . 1 1 48 48 LEU HD23 H 1 0.95 0.02 . 1 . . . . . . . . 4925 1 385 . 1 1 48 48 LEU CA C 13 54.53 0.02 . 1 . . . . . . . . 4925 1 386 . 1 1 48 48 LEU N N 15 118.118 0.02 . 1 . . . . . . . . 4925 1 387 . 1 1 49 49 ARG H H 1 8.545 0.02 . 1 . . . . . . . . 4925 1 388 . 1 1 49 49 ARG HA H 1 2.62 0.02 . 1 . . . . . . . . 4925 1 389 . 1 1 49 49 ARG HB2 H 1 1.059 0.02 . 1 . . . . . . . . 4925 1 390 . 1 1 49 49 ARG HB3 H 1 1.374 0.02 . 1 . . . . . . . . 4925 1 391 . 1 1 49 49 ARG HG2 H 1 1.21 0.02 . 2 . . . . . . . . 4925 1 392 . 1 1 49 49 ARG HG3 H 1 0.6 0.02 . 2 . . . . . . . . 4925 1 393 . 1 1 49 49 ARG HD2 H 1 1.92 0.02 . 2 . . . . . . . . 4925 1 394 . 1 1 49 49 ARG HD3 H 1 1.6 0.02 . 2 . . . . . . . . 4925 1 395 . 1 1 49 49 ARG CA C 13 58.33 0.02 . 1 . . . . . . . . 4925 1 396 . 1 1 49 49 ARG N N 15 123.257 0.02 . 1 . . . . . . . . 4925 1 397 . 1 1 50 50 GLU H H 1 9.066 0.02 . 1 . . . . . . . . 4925 1 398 . 1 1 50 50 GLU HA H 1 4.094 0.02 . 1 . . . . . . . . 4925 1 399 . 1 1 50 50 GLU HB2 H 1 2.104 0.02 . 2 . . . . . . . . 4925 1 400 . 1 1 50 50 GLU HB3 H 1 1.97 0.02 . 2 . . . . . . . . 4925 1 401 . 1 1 50 50 GLU HG2 H 1 2.014 0.02 . 1 . . . . . . . . 4925 1 402 . 1 1 50 50 GLU HG3 H 1 2.014 0.02 . 1 . . . . . . . . 4925 1 403 . 1 1 50 50 GLU CA C 13 58.17 0.02 . 1 . . . . . . . . 4925 1 404 . 1 1 50 50 GLU N N 15 115.035 0.02 . 1 . . . . . . . . 4925 1 405 . 1 1 51 51 ASN H H 1 8.014 0.02 . 1 . . . . . . . . 4925 1 406 . 1 1 51 51 ASN HA H 1 5.08 0.02 . 1 . . . . . . . . 4925 1 407 . 1 1 51 51 ASN HB2 H 1 3.181 0.02 . 1 . . . . . . . . 4925 1 408 . 1 1 51 51 ASN HB3 H 1 2.807 0.02 . 1 . . . . . . . . 4925 1 409 . 1 1 51 51 ASN HD21 H 1 7.760 0.02 . 1 . . . . . . . . 4925 1 410 . 1 1 51 51 ASN HD22 H 1 7.427 0.02 . 1 . . . . . . . . 4925 1 411 . 1 1 51 51 ASN CA C 13 52.6 0.02 . 1 . . . . . . . . 4925 1 412 . 1 1 51 51 ASN N N 15 116.576 0.02 . 1 . . . . . . . . 4925 1 413 . 1 1 51 51 ASN ND2 N 15 124.1 0.02 . 1 . . . . . . . . 4925 1 414 . 1 1 52 52 VAL H H 1 7.591 0.02 . 1 . . . . . . . . 4925 1 415 . 1 1 52 52 VAL HA H 1 5.089 0.02 . 1 . . . . . . . . 4925 1 416 . 1 1 52 52 VAL HB H 1 1.662 0.02 . 1 . . . . . . . . 4925 1 417 . 1 1 52 52 VAL HG11 H 1 0.873 0.02 . 1 . . . . . . . . 4925 1 418 . 1 1 52 52 VAL HG12 H 1 0.873 0.02 . 1 . . . . . . . . 4925 1 419 . 1 1 52 52 VAL HG13 H 1 0.873 0.02 . 1 . . . . . . . . 4925 1 420 . 1 1 52 52 VAL HG21 H 1 0.585 0.02 . 1 . . . . . . . . 4925 1 421 . 1 1 52 52 VAL HG22 H 1 0.585 0.02 . 1 . . . . . . . . 4925 1 422 . 1 1 52 52 VAL HG23 H 1 0.585 0.02 . 1 . . . . . . . . 4925 1 423 . 1 1 52 52 VAL CA C 13 61.67 0.02 . 1 . . . . . . . . 4925 1 424 . 1 1 52 52 VAL N N 15 121.22 0.02 . 1 . . . . . . . . 4925 1 425 . 1 1 53 53 SER H H 1 8.852 0.02 . 1 . . . . . . . . 4925 1 426 . 1 1 53 53 SER HA H 1 4.45 0.02 . 1 . . . . . . . . 4925 1 427 . 1 1 53 53 SER HB2 H 1 3.665 0.02 . 1 . . . . . . . . 4925 1 428 . 1 1 53 53 SER HB3 H 1 3.427 0.02 . 1 . . . . . . . . 4925 1 429 . 1 1 53 53 SER CA C 13 56.4 0.02 . 1 . . . . . . . . 4925 1 430 . 1 1 53 53 SER N N 15 121.712 0.02 . 1 . . . . . . . . 4925 1 431 . 1 1 54 54 PHE H H 1 8.562 0.02 . 1 . . . . . . . . 4925 1 432 . 1 1 54 54 PHE HA H 1 5.375 0.02 . 1 . . . . . . . . 4925 1 433 . 1 1 54 54 PHE HB2 H 1 2.724 0.02 . 1 . . . . . . . . 4925 1 434 . 1 1 54 54 PHE HB3 H 1 2.823 0.02 . 1 . . . . . . . . 4925 1 435 . 1 1 54 54 PHE HD1 H 1 7.183 0.02 . 1 . . . . . . . . 4925 1 436 . 1 1 54 54 PHE HD2 H 1 7.183 0.02 . 1 . . . . . . . . 4925 1 437 . 1 1 54 54 PHE HE1 H 1 7.122 0.02 . 1 . . . . . . . . 4925 1 438 . 1 1 54 54 PHE HE2 H 1 7.122 0.02 . 1 . . . . . . . . 4925 1 439 . 1 1 54 54 PHE HZ H 1 7.159 0.02 . 1 . . . . . . . . 4925 1 440 . 1 1 54 54 PHE CA C 13 57.1 0.02 . 1 . . . . . . . . 4925 1 441 . 1 1 54 54 PHE N N 15 119.329 0.02 . 1 . . . . . . . . 4925 1 442 . 1 1 55 55 TYR H H 1 8.636 0.02 . 1 . . . . . . . . 4925 1 443 . 1 1 55 55 TYR HA H 1 4.729 0.02 . 1 . . . . . . . . 4925 1 444 . 1 1 55 55 TYR HB2 H 1 3.161 0.02 . 1 . . . . . . . . 4925 1 445 . 1 1 55 55 TYR HB3 H 1 2.212 0.02 . 1 . . . . . . . . 4925 1 446 . 1 1 55 55 TYR HD1 H 1 6.727 0.02 . 1 . . . . . . . . 4925 1 447 . 1 1 55 55 TYR HD2 H 1 6.727 0.02 . 1 . . . . . . . . 4925 1 448 . 1 1 55 55 TYR HE1 H 1 6.457 0.02 . 1 . . . . . . . . 4925 1 449 . 1 1 55 55 TYR HE2 H 1 6.457 0.02 . 1 . . . . . . . . 4925 1 450 . 1 1 55 55 TYR CA C 13 57.16 0.02 . 1 . . . . . . . . 4925 1 451 . 1 1 55 55 TYR N N 15 117.616 0.02 . 1 . . . . . . . . 4925 1 452 . 1 1 56 56 ALA H H 1 9.134 0.02 . 1 . . . . . . . . 4925 1 453 . 1 1 56 56 ALA HA H 1 4.3 0.02 . 1 . . . . . . . . 4925 1 454 . 1 1 56 56 ALA HB1 H 1 1.529 0.02 . 1 . . . . . . . . 4925 1 455 . 1 1 56 56 ALA HB2 H 1 1.529 0.02 . 1 . . . . . . . . 4925 1 456 . 1 1 56 56 ALA HB3 H 1 1.529 0.02 . 1 . . . . . . . . 4925 1 457 . 1 1 56 56 ALA CA C 13 54.59 0.02 . 1 . . . . . . . . 4925 1 458 . 1 1 56 56 ALA N N 15 122.77 0.02 . 1 . . . . . . . . 4925 1 459 . 1 1 57 57 ASN H H 1 7.197 0.02 . 1 . . . . . . . . 4925 1 460 . 1 1 57 57 ASN HA H 1 4.509 0.02 . 1 . . . . . . . . 4925 1 461 . 1 1 57 57 ASN HB2 H 1 3.024 0.02 . 1 . . . . . . . . 4925 1 462 . 1 1 57 57 ASN HB3 H 1 3.194 0.02 . 1 . . . . . . . . 4925 1 463 . 1 1 57 57 ASN HD21 H 1 7.053 0.02 . 1 . . . . . . . . 4925 1 464 . 1 1 57 57 ASN HD22 H 1 7.666 0.02 . 1 . . . . . . . . 4925 1 465 . 1 1 57 57 ASN N N 15 104.243 0.02 . 1 . . . . . . . . 4925 1 466 . 1 1 57 57 ASN ND2 N 15 115.7 0.02 . 1 . . . . . . . . 4925 1 467 . 1 1 58 58 ALA H H 1 8.93 0.02 . 1 . . . . . . . . 4925 1 468 . 1 1 58 58 ALA HA H 1 3.577 0.02 . 1 . . . . . . . . 4925 1 469 . 1 1 58 58 ALA HB1 H 1 1.534 0.02 . 1 . . . . . . . . 4925 1 470 . 1 1 58 58 ALA HB2 H 1 1.534 0.02 . 1 . . . . . . . . 4925 1 471 . 1 1 58 58 ALA HB3 H 1 1.534 0.02 . 1 . . . . . . . . 4925 1 472 . 1 1 58 58 ALA CA C 13 54.55 0.02 . 1 . . . . . . . . 4925 1 473 . 1 1 58 58 ALA N N 15 120.682 0.02 . 1 . . . . . . . . 4925 1 474 . 1 1 59 59 SER H H 1 8.31 0.02 . 1 . . . . . . . . 4925 1 475 . 1 1 59 59 SER HA H 1 4.073 0.02 . 1 . . . . . . . . 4925 1 476 . 1 1 59 59 SER HB2 H 1 3.9 0.02 . 1 . . . . . . . . 4925 1 477 . 1 1 59 59 SER HB3 H 1 3.9 0.02 . 1 . . . . . . . . 4925 1 478 . 1 1 59 59 SER CA C 13 62.38 0.02 . 1 . . . . . . . . 4925 1 479 . 1 1 59 59 SER N N 15 113.493 0.02 . 1 . . . . . . . . 4925 1 480 . 1 1 60 60 GLU H H 1 8.162 0.02 . 1 . . . . . . . . 4925 1 481 . 1 1 60 60 GLU HA H 1 3.986 0.02 . 1 . . . . . . . . 4925 1 482 . 1 1 60 60 GLU HB2 H 1 2.241 0.02 . 2 . . . . . . . . 4925 1 483 . 1 1 60 60 GLU HB3 H 1 2.047 0.02 . 2 . . . . . . . . 4925 1 484 . 1 1 60 60 GLU HG2 H 1 2.609 0.02 . 2 . . . . . . . . 4925 1 485 . 1 1 60 60 GLU HG3 H 1 2.361 0.02 . 2 . . . . . . . . 4925 1 486 . 1 1 60 60 GLU CA C 13 59.11 0.02 . 1 . . . . . . . . 4925 1 487 . 1 1 60 60 GLU N N 15 122.545 0.02 . 1 . . . . . . . . 4925 1 488 . 1 1 61 61 ALA H H 1 6.886 0.02 . 1 . . . . . . . . 4925 1 489 . 1 1 61 61 ALA HA H 1 2.674 0.02 . 1 . . . . . . . . 4925 1 490 . 1 1 61 61 ALA HB1 H 1 -0.09 0.02 . 1 . . . . . . . . 4925 1 491 . 1 1 61 61 ALA HB2 H 1 -0.09 0.02 . 1 . . . . . . . . 4925 1 492 . 1 1 61 61 ALA HB3 H 1 -0.09 0.02 . 1 . . . . . . . . 4925 1 493 . 1 1 61 61 ALA CA C 13 54.35 0.02 . 1 . . . . . . . . 4925 1 494 . 1 1 61 61 ALA N N 15 122.229 0.02 . 1 . . . . . . . . 4925 1 495 . 1 1 62 62 LEU H H 1 8.222 0.02 . 1 . . . . . . . . 4925 1 496 . 1 1 62 62 LEU HA H 1 4.473 0.02 . 1 . . . . . . . . 4925 1 497 . 1 1 62 62 LEU HB2 H 1 1.834 0.02 . 2 . . . . . . . . 4925 1 498 . 1 1 62 62 LEU HB3 H 1 1.543 0.02 . 2 . . . . . . . . 4925 1 499 . 1 1 62 62 LEU HG H 1 1.776 0.02 . 1 . . . . . . . . 4925 1 500 . 1 1 62 62 LEU HD11 H 1 1.226 0.02 . 1 . . . . . . . . 4925 1 501 . 1 1 62 62 LEU HD12 H 1 1.226 0.02 . 1 . . . . . . . . 4925 1 502 . 1 1 62 62 LEU HD13 H 1 1.226 0.02 . 1 . . . . . . . . 4925 1 503 . 1 1 62 62 LEU HD21 H 1 1.005 0.02 . 1 . . . . . . . . 4925 1 504 . 1 1 62 62 LEU HD22 H 1 1.005 0.02 . 1 . . . . . . . . 4925 1 505 . 1 1 62 62 LEU HD23 H 1 1.005 0.02 . 1 . . . . . . . . 4925 1 506 . 1 1 62 62 LEU CA C 13 57.26 0.02 . 1 . . . . . . . . 4925 1 507 . 1 1 62 62 LEU N N 15 120.155 0.02 . 1 . . . . . . . . 4925 1 508 . 1 1 63 63 ALA H H 1 7.817 0.02 . 1 . . . . . . . . 4925 1 509 . 1 1 63 63 ALA HA H 1 4.087 0.02 . 1 . . . . . . . . 4925 1 510 . 1 1 63 63 ALA HB1 H 1 1.463 0.02 . 1 . . . . . . . . 4925 1 511 . 1 1 63 63 ALA HB2 H 1 1.463 0.02 . 1 . . . . . . . . 4925 1 512 . 1 1 63 63 ALA HB3 H 1 1.463 0.02 . 1 . . . . . . . . 4925 1 513 . 1 1 63 63 ALA CA C 13 54.37 0.02 . 1 . . . . . . . . 4925 1 514 . 1 1 63 63 ALA N N 15 122.743 0.02 . 1 . . . . . . . . 4925 1 515 . 1 1 64 64 ALA H H 1 7.141 0.02 . 1 . . . . . . . . 4925 1 516 . 1 1 64 64 ALA HA H 1 4.338 0.02 . 1 . . . . . . . . 4925 1 517 . 1 1 64 64 ALA HB1 H 1 1.446 0.02 . 1 . . . . . . . . 4925 1 518 . 1 1 64 64 ALA HB2 H 1 1.446 0.02 . 1 . . . . . . . . 4925 1 519 . 1 1 64 64 ALA HB3 H 1 1.446 0.02 . 1 . . . . . . . . 4925 1 520 . 1 1 64 64 ALA CA C 13 51.73 0.02 . 1 . . . . . . . . 4925 1 521 . 1 1 64 64 ALA N N 15 118.632 0.02 . 1 . . . . . . . . 4925 1 522 . 1 1 65 65 GLY H H 1 7.707 0.02 . 1 . . . . . . . . 4925 1 523 . 1 1 65 65 GLY HA2 H 1 4.041 0.02 . 2 . . . . . . . . 4925 1 524 . 1 1 65 65 GLY HA3 H 1 3.612 0.02 . 2 . . . . . . . . 4925 1 525 . 1 1 65 65 GLY CA C 13 44.75 0.02 . 1 . . . . . . . . 4925 1 526 . 1 1 65 65 GLY N N 15 105.302 0.02 . 1 . . . . . . . . 4925 1 527 . 1 1 66 66 PHE H H 1 7.701 0.02 . 1 . . . . . . . . 4925 1 528 . 1 1 66 66 PHE HA H 1 4.635 0.02 . 1 . . . . . . . . 4925 1 529 . 1 1 66 66 PHE HB2 H 1 2.521 0.02 . 1 . . . . . . . . 4925 1 530 . 1 1 66 66 PHE HB3 H 1 2.992 0.02 . 1 . . . . . . . . 4925 1 531 . 1 1 66 66 PHE HD1 H 1 6.956 0.02 . 1 . . . . . . . . 4925 1 532 . 1 1 66 66 PHE HD2 H 1 6.956 0.02 . 1 . . . . . . . . 4925 1 533 . 1 1 66 66 PHE HE1 H 1 7.278 0.02 . 1 . . . . . . . . 4925 1 534 . 1 1 66 66 PHE HE2 H 1 7.278 0.02 . 1 . . . . . . . . 4925 1 535 . 1 1 66 66 PHE HZ H 1 7.342 0.02 . 1 . . . . . . . . 4925 1 536 . 1 1 66 66 PHE CA C 13 58.03 0.02 . 1 . . . . . . . . 4925 1 537 . 1 1 66 66 PHE N N 15 119.148 0.02 . 1 . . . . . . . . 4925 1 538 . 1 1 67 67 ARG H H 1 9.158 0.02 . 1 . . . . . . . . 4925 1 539 . 1 1 67 67 ARG HA H 1 5.073 0.02 . 1 . . . . . . . . 4925 1 540 . 1 1 67 67 ARG HB2 H 1 1.845 0.02 . 1 . . . . . . . . 4925 1 541 . 1 1 67 67 ARG HB3 H 1 1.845 0.02 . 1 . . . . . . . . 4925 1 542 . 1 1 67 67 ARG HG2 H 1 1.75 0.02 . 1 . . . . . . . . 4925 1 543 . 1 1 67 67 ARG HG3 H 1 1.75 0.02 . 1 . . . . . . . . 4925 1 544 . 1 1 67 67 ARG HD2 H 1 3.208 0.02 . 1 . . . . . . . . 4925 1 545 . 1 1 67 67 ARG HD3 H 1 3.208 0.02 . 1 . . . . . . . . 4925 1 546 . 1 1 67 67 ARG CA C 13 52.37 0.02 . 1 . . . . . . . . 4925 1 547 . 1 1 67 67 ARG N N 15 120.174 0.02 . 1 . . . . . . . . 4925 1 548 . 1 1 68 68 PRO HA H 1 2.791 0.02 . 1 . . . . . . . . 4925 1 549 . 1 1 68 68 PRO HB2 H 1 1.637 0.02 . 2 . . . . . . . . 4925 1 550 . 1 1 68 68 PRO HB3 H 1 1.457 0.02 . 2 . . . . . . . . 4925 1 551 . 1 1 68 68 PRO HG2 H 1 1.96 0.02 . 2 . . . . . . . . 4925 1 552 . 1 1 68 68 PRO HG3 H 1 2.214 0.02 . 2 . . . . . . . . 4925 1 553 . 1 1 68 68 PRO HD2 H 1 3.704 0.02 . 1 . . . . . . . . 4925 1 554 . 1 1 68 68 PRO HD3 H 1 3.704 0.02 . 1 . . . . . . . . 4925 1 555 . 1 1 68 68 PRO CA C 13 62.07 0.02 . 1 . . . . . . . . 4925 1 556 . 1 1 69 69 CYS H H 1 7.946 0.02 . 1 . . . . . . . . 4925 1 557 . 1 1 69 69 CYS HA H 1 3.915 0.02 . 1 . . . . . . . . 4925 1 558 . 1 1 69 69 CYS HB2 H 1 3.233 0.02 . 1 . . . . . . . . 4925 1 559 . 1 1 69 69 CYS HB3 H 1 3.28 0.02 . 1 . . . . . . . . 4925 1 560 . 1 1 69 69 CYS CA C 13 60 0.02 . 1 . . . . . . . . 4925 1 561 . 1 1 69 69 CYS N N 15 127.368 0.02 . 1 . . . . . . . . 4925 1 562 . 1 1 70 70 LYS H H 1 8.908 0.02 . 1 . . . . . . . . 4925 1 563 . 1 1 70 70 LYS HA H 1 4.174 0.02 . 1 . . . . . . . . 4925 1 564 . 1 1 70 70 LYS HB2 H 1 1.935 0.02 . 2 . . . . . . . . 4925 1 565 . 1 1 70 70 LYS HB3 H 1 1.826 0.02 . 2 . . . . . . . . 4925 1 566 . 1 1 70 70 LYS CA C 13 57.79 0.02 . 1 . . . . . . . . 4925 1 567 . 1 1 70 70 LYS N N 15 127.882 0.02 . 1 . . . . . . . . 4925 1 568 . 1 1 71 71 ARG H H 1 9.698 0.02 . 1 . . . . . . . . 4925 1 569 . 1 1 71 71 ARG HA H 1 4.319 0.02 . 1 . . . . . . . . 4925 1 570 . 1 1 71 71 ARG HB2 H 1 1.862 0.02 . 2 . . . . . . . . 4925 1 571 . 1 1 71 71 ARG HB3 H 1 1.962 0.02 . 2 . . . . . . . . 4925 1 572 . 1 1 71 71 ARG HG2 H 1 1.676 0.02 . 2 . . . . . . . . 4925 1 573 . 1 1 71 71 ARG HG3 H 1 1.642 0.02 . 2 . . . . . . . . 4925 1 574 . 1 1 71 71 ARG HD2 H 1 3.167 0.02 . 2 . . . . . . . . 4925 1 575 . 1 1 71 71 ARG HD3 H 1 3.068 0.02 . 2 . . . . . . . . 4925 1 576 . 1 1 71 71 ARG CA C 13 58.07 0.02 . 1 . . . . . . . . 4925 1 577 . 1 1 71 71 ARG N N 15 122.745 0.02 . 1 . . . . . . . . 4925 1 578 . 1 1 72 72 CYS H H 1 8.538 0.02 . 1 . . . . . . . . 4925 1 579 . 1 1 72 72 CYS HA H 1 4.859 0.02 . 1 . . . . . . . . 4925 1 580 . 1 1 72 72 CYS HB2 H 1 3.11 0.02 . 1 . . . . . . . . 4925 1 581 . 1 1 72 72 CYS HB3 H 1 3.035 0.02 . 1 . . . . . . . . 4925 1 582 . 1 1 72 72 CYS CA C 13 59.19 0.02 . 1 . . . . . . . . 4925 1 583 . 1 1 72 72 CYS N N 15 118.118 0.02 . 1 . . . . . . . . 4925 1 584 . 1 1 73 73 GLN H H 1 7.542 0.02 . 1 . . . . . . . . 4925 1 585 . 1 1 73 73 GLN HA H 1 4.24 0.02 . 1 . . . . . . . . 4925 1 586 . 1 1 73 73 GLN HB2 H 1 2.17 0.02 . 2 . . . . . . . . 4925 1 587 . 1 1 73 73 GLN HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4925 1 588 . 1 1 73 73 GLN HG2 H 1 2.27 0.02 . 2 . . . . . . . . 4925 1 589 . 1 1 73 73 GLN HG3 H 1 2.11 0.02 . 2 . . . . . . . . 4925 1 590 . 1 1 73 73 GLN HE21 H 1 7.39 0.02 . 1 . . . . . . . . 4925 1 591 . 1 1 73 73 GLN HE22 H 1 6.69 0.02 . 1 . . . . . . . . 4925 1 592 . 1 1 73 73 GLN CA C 13 56.23 0.02 . 1 . . . . . . . . 4925 1 593 . 1 1 73 73 GLN N N 15 117.64 0.02 . 1 . . . . . . . . 4925 1 594 . 1 1 73 73 GLN NE2 N 15 112.0 0.02 . 1 . . . . . . . . 4925 1 595 . 1 1 74 74 PRO HA H 1 4.27 0.02 . 1 . . . . . . . . 4925 1 596 . 1 1 74 74 PRO HB2 H 1 2.324 0.02 . 2 . . . . . . . . 4925 1 597 . 1 1 74 74 PRO HB3 H 1 1.91 0.02 . 2 . . . . . . . . 4925 1 598 . 1 1 74 74 PRO HG2 H 1 2.173 0.02 . 1 . . . . . . . . 4925 1 599 . 1 1 74 74 PRO HG3 H 1 2.173 0.02 . 1 . . . . . . . . 4925 1 600 . 1 1 74 74 PRO HD2 H 1 3.69 0.02 . 1 . . . . . . . . 4925 1 601 . 1 1 74 74 PRO HD3 H 1 3.69 0.02 . 1 . . . . . . . . 4925 1 602 . 1 1 74 74 PRO CA C 13 64.54 0.02 . 1 . . . . . . . . 4925 1 603 . 1 1 75 75 ASP H H 1 9.72 0.02 . 1 . . . . . . . . 4925 1 604 . 1 1 75 75 ASP HA H 1 4.372 0.02 . 1 . . . . . . . . 4925 1 605 . 1 1 75 75 ASP HB2 H 1 2.292 0.02 . 2 . . . . . . . . 4925 1 606 . 1 1 75 75 ASP HB3 H 1 2.843 0.02 . 2 . . . . . . . . 4925 1 607 . 1 1 75 75 ASP CA C 13 53.6 0.02 . 1 . . . . . . . . 4925 1 608 . 1 1 75 75 ASP N N 15 117.09 0.02 . 1 . . . . . . . . 4925 1 609 . 1 1 76 76 LYS H H 1 7.507 0.02 . 1 . . . . . . . . 4925 1 610 . 1 1 76 76 LYS HA H 1 4.425 0.02 . 1 . . . . . . . . 4925 1 611 . 1 1 76 76 LYS HB2 H 1 1.847 0.02 . 2 . . . . . . . . 4925 1 612 . 1 1 76 76 LYS HB3 H 1 1.738 0.02 . 2 . . . . . . . . 4925 1 613 . 1 1 76 76 LYS HG2 H 1 1.42 0.02 . 2 . . . . . . . . 4925 1 614 . 1 1 76 76 LYS HG3 H 1 1.33 0.02 . 2 . . . . . . . . 4925 1 615 . 1 1 76 76 LYS HD2 H 1 1.627 0.02 . 1 . . . . . . . . 4925 1 616 . 1 1 76 76 LYS HD3 H 1 1.627 0.02 . 1 . . . . . . . . 4925 1 617 . 1 1 76 76 LYS CA C 13 55 0.02 . 1 . . . . . . . . 4925 1 618 . 1 1 76 76 LYS N N 15 120.758 0.02 . 1 . . . . . . . . 4925 1 619 . 1 1 77 77 ALA H H 1 7.98 0.02 . 1 . . . . . . . . 4925 1 620 . 1 1 77 77 ALA HA H 1 4.279 0.02 . 1 . . . . . . . . 4925 1 621 . 1 1 77 77 ALA HB1 H 1 1.357 0.02 . 1 . . . . . . . . 4925 1 622 . 1 1 77 77 ALA HB2 H 1 1.357 0.02 . 1 . . . . . . . . 4925 1 623 . 1 1 77 77 ALA HB3 H 1 1.357 0.02 . 1 . . . . . . . . 4925 1 624 . 1 1 77 77 ALA CA C 13 52.39 0.02 . 1 . . . . . . . . 4925 1 625 . 1 1 77 77 ALA N N 15 124.982 0.02 . 1 . . . . . . . . 4925 1 626 . 1 1 78 78 ASN H H 1 8.38 0.02 . 1 . . . . . . . . 4925 1 627 . 1 1 78 78 ASN HA H 1 4.976 0.02 . 1 . . . . . . . . 4925 1 628 . 1 1 78 78 ASN HB2 H 1 2.84 0.02 . 2 . . . . . . . . 4925 1 629 . 1 1 78 78 ASN HB3 H 1 2.68 0.02 . 2 . . . . . . . . 4925 1 630 . 1 1 78 78 ASN HD21 H 1 7.674 0.02 . 1 . . . . . . . . 4925 1 631 . 1 1 78 78 ASN HD22 H 1 6.962 0.02 . 1 . . . . . . . . 4925 1 632 . 1 1 78 78 ASN CA C 13 51.19 0.02 . 1 . . . . . . . . 4925 1 633 . 1 1 78 78 ASN N N 15 119.366 0.02 . 1 . . . . . . . . 4925 1 634 . 1 1 78 78 ASN ND2 N 15 113.2 0.02 . 1 . . . . . . . . 4925 1 635 . 1 1 79 79 PRO HA H 1 4.436 0.02 . 1 . . . . . . . . 4925 1 636 . 1 1 79 79 PRO HB2 H 1 2.29 0.02 . 2 . . . . . . . . 4925 1 637 . 1 1 79 79 PRO HB3 H 1 1.94 0.02 . 2 . . . . . . . . 4925 1 638 . 1 1 79 79 PRO HG2 H 1 2.027 0.02 . 1 . . . . . . . . 4925 1 639 . 1 1 79 79 PRO HG3 H 1 2.027 0.02 . 1 . . . . . . . . 4925 1 640 . 1 1 79 79 PRO HD2 H 1 3.756 0.02 . 1 . . . . . . . . 4925 1 641 . 1 1 79 79 PRO HD3 H 1 3.756 0.02 . 1 . . . . . . . . 4925 1 642 . 1 1 79 79 PRO CA C 13 63.44 0.02 . 1 . . . . . . . . 4925 1 643 . 1 1 80 80 ARG H H 1 8.377 0.02 . 1 . . . . . . . . 4925 1 644 . 1 1 80 80 ARG HA H 1 4.274 0.02 . 1 . . . . . . . . 4925 1 645 . 1 1 80 80 ARG HB2 H 1 1.858 0.02 . 2 . . . . . . . . 4925 1 646 . 1 1 80 80 ARG HB3 H 1 1.753 0.02 . 2 . . . . . . . . 4925 1 647 . 1 1 80 80 ARG HG2 H 1 1.65 0.02 . 1 . . . . . . . . 4925 1 648 . 1 1 80 80 ARG HG3 H 1 1.65 0.02 . 1 . . . . . . . . 4925 1 649 . 1 1 80 80 ARG HD2 H 1 3.24 0.02 . 1 . . . . . . . . 4925 1 650 . 1 1 80 80 ARG HD3 H 1 3.24 0.02 . 1 . . . . . . . . 4925 1 651 . 1 1 80 80 ARG CA C 13 56.24 0.02 . 1 . . . . . . . . 4925 1 652 . 1 1 80 80 ARG N N 15 120.783 0.02 . 1 . . . . . . . . 4925 1 653 . 1 1 81 81 GLN H H 1 8.263 0.02 . 1 . . . . . . . . 4925 1 654 . 1 1 81 81 GLN HA H 1 4.261 0.02 . 1 . . . . . . . . 4925 1 655 . 1 1 81 81 GLN HB2 H 1 2.025 0.02 . 2 . . . . . . . . 4925 1 656 . 1 1 81 81 GLN HB3 H 1 1.974 0.02 . 2 . . . . . . . . 4925 1 657 . 1 1 81 81 GLN HG2 H 1 2.324 0.02 . 1 . . . . . . . . 4925 1 658 . 1 1 81 81 GLN HG3 H 1 2.324 0.02 . 1 . . . . . . . . 4925 1 659 . 1 1 81 81 GLN HE21 H 1 7.570 0.02 . 1 . . . . . . . . 4925 1 660 . 1 1 81 81 GLN HE22 H 1 6.906 0.02 . 1 . . . . . . . . 4925 1 661 . 1 1 81 81 GLN CA C 13 55.9 0.02 . 1 . . . . . . . . 4925 1 662 . 1 1 81 81 GLN N N 15 121.201 0.02 . 1 . . . . . . . . 4925 1 663 . 1 1 81 81 GLN NE2 N 15 112.7 0.02 . 1 . . . . . . . . 4925 1 664 . 1 1 82 82 HIS H H 1 8.43 0.02 . 1 . . . . . . . . 4925 1 665 . 1 1 82 82 HIS HA H 1 4.688 0.02 . 1 . . . . . . . . 4925 1 666 . 1 1 82 82 HIS HB2 H 1 3.2 0.02 . 2 . . . . . . . . 4925 1 667 . 1 1 82 82 HIS HB3 H 1 3.12 0.02 . 2 . . . . . . . . 4925 1 668 . 1 1 82 82 HIS CA C 13 55.56 0.02 . 1 . . . . . . . . 4925 1 669 . 1 1 82 82 HIS N N 15 120.82 0.02 . 1 . . . . . . . . 4925 1 670 . 1 1 83 83 ARG H H 1 8.357 0.02 . 1 . . . . . . . . 4925 1 671 . 1 1 83 83 ARG HA H 1 4.33 0.02 . 1 . . . . . . . . 4925 1 672 . 1 1 83 83 ARG HB2 H 1 1.84 0.02 . 2 . . . . . . . . 4925 1 673 . 1 1 83 83 ARG HB3 H 1 1.77 0.02 . 2 . . . . . . . . 4925 1 674 . 1 1 83 83 ARG HG2 H 1 1.457 0.02 . 1 . . . . . . . . 4925 1 675 . 1 1 83 83 ARG HG3 H 1 1.457 0.02 . 1 . . . . . . . . 4925 1 676 . 1 1 83 83 ARG HD2 H 1 3.02 0.02 . 1 . . . . . . . . 4925 1 677 . 1 1 83 83 ARG HD3 H 1 3.02 0.02 . 1 . . . . . . . . 4925 1 678 . 1 1 83 83 ARG CA C 13 56.26 0.02 . 1 . . . . . . . . 4925 1 679 . 1 1 83 83 ARG N N 15 124.771 0.02 . 1 . . . . . . . . 4925 1 680 . 1 1 84 84 LEU H H 1 8.468 0.02 . 1 . . . . . . . . 4925 1 681 . 1 1 84 84 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 4925 1 682 . 1 1 84 84 LEU HB2 H 1 1.631 0.02 . 1 . . . . . . . . 4925 1 683 . 1 1 84 84 LEU HB3 H 1 1.631 0.02 . 1 . . . . . . . . 4925 1 684 . 1 1 84 84 LEU HD11 H 1 0.95 0.02 . 1 . . . . . . . . 4925 1 685 . 1 1 84 84 LEU HD12 H 1 0.95 0.02 . 1 . . . . . . . . 4925 1 686 . 1 1 84 84 LEU HD13 H 1 0.95 0.02 . 1 . . . . . . . . 4925 1 687 . 1 1 84 84 LEU HD21 H 1 0.89 0.02 . 1 . . . . . . . . 4925 1 688 . 1 1 84 84 LEU HD22 H 1 0.89 0.02 . 1 . . . . . . . . 4925 1 689 . 1 1 84 84 LEU HD23 H 1 0.89 0.02 . 1 . . . . . . . . 4925 1 690 . 1 1 84 84 LEU CA C 13 55.05 0.02 . 1 . . . . . . . . 4925 1 691 . 1 1 84 84 LEU N N 15 123.257 0.02 . 1 . . . . . . . . 4925 1 692 . 1 1 85 85 ASP H H 1 8.326 0.02 . 1 . . . . . . . . 4925 1 693 . 1 1 85 85 ASP HA H 1 4.594 0.02 . 1 . . . . . . . . 4925 1 694 . 1 1 85 85 ASP HB2 H 1 2.679 0.02 . 2 . . . . . . . . 4925 1 695 . 1 1 85 85 ASP HB3 H 1 2.65 0.02 . 2 . . . . . . . . 4925 1 696 . 1 1 85 85 ASP CA C 13 54.26 0.02 . 1 . . . . . . . . 4925 1 697 . 1 1 85 85 ASP N N 15 120.687 0.02 . 1 . . . . . . . . 4925 1 698 . 1 1 86 86 LYS H H 1 8.153 0.02 . 1 . . . . . . . . 4925 1 699 . 1 1 86 86 LYS HA H 1 4.34 0.02 . 1 . . . . . . . . 4925 1 700 . 1 1 86 86 LYS HB2 H 1 1.88 0.02 . 2 . . . . . . . . 4925 1 701 . 1 1 86 86 LYS HB3 H 1 1.75 0.02 . 2 . . . . . . . . 4925 1 702 . 1 1 86 86 LYS CA C 13 56.12 0.02 . 1 . . . . . . . . 4925 1 703 . 1 1 86 86 LYS N N 15 121.307 0.02 . 1 . . . . . . . . 4925 1 704 . 1 1 87 87 ILE H H 1 8.17 0.02 . 1 . . . . . . . . 4925 1 705 . 1 1 87 87 ILE HA H 1 4.23 0.02 . 1 . . . . . . . . 4925 1 706 . 1 1 87 87 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 4925 1 707 . 1 1 87 87 ILE HG12 H 1 1.46 0.02 . 2 . . . . . . . . 4925 1 708 . 1 1 87 87 ILE HG13 H 1 1.20 0.02 . 2 . . . . . . . . 4925 1 709 . 1 1 87 87 ILE HG21 H 1 0.85 0.02 . 1 . . . . . . . . 4925 1 710 . 1 1 87 87 ILE HG22 H 1 0.85 0.02 . 1 . . . . . . . . 4925 1 711 . 1 1 87 87 ILE HG23 H 1 0.85 0.02 . 1 . . . . . . . . 4925 1 712 . 1 1 87 87 ILE HD11 H 1 0.65 0.02 . 1 . . . . . . . . 4925 1 713 . 1 1 87 87 ILE HD12 H 1 0.65 0.02 . 1 . . . . . . . . 4925 1 714 . 1 1 87 87 ILE HD13 H 1 0.65 0.02 . 1 . . . . . . . . 4925 1 715 . 1 1 87 87 ILE CA C 13 61.11 0.02 . 1 . . . . . . . . 4925 1 716 . 1 1 87 87 ILE N N 15 122.539 0.02 . 1 . . . . . . . . 4925 1 717 . 1 1 88 88 THR H H 1 8.22 0.02 . 1 . . . . . . . . 4925 1 718 . 1 1 88 88 THR HA H 1 4.35 0.02 . 1 . . . . . . . . 4925 1 719 . 1 1 88 88 THR HB H 1 4.21 0.02 . 1 . . . . . . . . 4925 1 720 . 1 1 88 88 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 4925 1 721 . 1 1 88 88 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 4925 1 722 . 1 1 88 88 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 4925 1 723 . 1 1 88 88 THR CA C 13 61.73 0.02 . 1 . . . . . . . . 4925 1 724 . 1 1 88 88 THR N N 15 118.503 0.02 . 1 . . . . . . . . 4925 1 725 . 1 1 89 89 HIS H H 1 8.078 0.02 . 1 . . . . . . . . 4925 1 726 . 1 1 89 89 HIS HA H 1 4.48 0.02 . 1 . . . . . . . . 4925 1 727 . 1 1 89 89 HIS HB2 H 1 3.25 0.02 . 2 . . . . . . . . 4925 1 728 . 1 1 89 89 HIS HB3 H 1 3.11 0.02 . 2 . . . . . . . . 4925 1 729 . 1 1 89 89 HIS CA C 13 57 0.02 . 1 . . . . . . . . 4925 1 730 . 1 1 89 89 HIS N N 15 126.34 0.02 . 1 . . . . . . . . 4925 1 731 . 1 1 90 90 ALA CA C 13 54.72 0.02 . 1 . . . . . . . . 4925 1 stop_ save_