data_6925 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6925 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'NMR assignment of Kid toxin' 'Structure analysis' ; The data from the entries that make up this study were used to determine the secondary structure of the bacterial toxin Kid. ; 6925 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'Kid toxin' 6925 1 . 'NMR assignment' 6925 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID . 6925 'Assigned chemical shift entry' '13C 15N and 1H backbone and beta chemical shift assignments' 6925 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6925 _Entry.Title ; Backbone and Beta 1H, 13C, and 15N Chemical Shift Assignments for the Bacterial Toxin Kid ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-13 _Entry.Accession_date 2006-04-13 _Entry.Last_release_date 2006-11-06 _Entry.Original_release_date 2006-11-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Backbone and Beta 1H, 13C, and 15N Chemical Shift Assignments for the Bacterial Toxin Kid' _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 Monique Kamphuis . B. . 6925 2 Rolf Boelens . . . 6925 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'NMR Spectroscopy, Department of Chemistry, Utrecht University' . 6925 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6925 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 308 6925 '15N chemical shifts' 102 6925 '1H chemical shifts' 384 6925 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 . . 2006-11-06 2005-12-15 original author . 6925 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2C06 'BMRB Entry Tracking System' 6925 . 7071 'entry containing NMR chemical shift data of Kis antitoxin that forms toxin-antitoxin system with Kid toxin' 6925 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6925 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16413033 _Citation.Full_citation . _Citation.Title ; Model for RNA binding and the catalytic site of the RNase Kid of the bacterial parD toxin-antitoxin system ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 357 _Citation.Journal_issue 1 _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 115 _Citation.Page_last 126 _Citation.Year 2006 _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 Monique Kamphuis . B. . 6925 1 2 A. Bonvin . M. . 6925 1 3 M. Monti . C. . 6925 1 4 M. Lemonnier . . . 6925 1 5 A. Munoz-Gomez . . . 6925 1 6 R. 'van den Heuvel' . H. . 6925 1 7 R. Diaz-Orejas . . . 6925 1 8 Rolf Boelens . . . 6925 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'native macromolecular mass spectrometry' 6925 1 'NMR spectroscopy' 6925 1 oligomerisation 6925 1 'plasmid maintenance' 6925 1 'protein-protein interactions' 6925 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6925 _Assembly.ID 1 _Assembly.Name 'Kid toxin' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all 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 protein 6925 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 'Kid toxin' 1 $Kid_toxin . . yes native no no . . . 6925 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID . BMRB 6925 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Kid_toxin _Entity.Sf_category entity _Entity.Sf_framecode Kid_toxin _Entity.Entry_ID 6925 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Kid toxin' _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 ; MERGEIWLVSLDPTAGHEQQ GTRPVLIVTPAAFNRVTRLP VVVPVTSGGNFARTAGFAVS LDGVGIRTTGVVRCDQPRTI DMKARGGKRLERVPETIMNE VLGRLSTILT ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1M1F . "Kid Toxin Protein From E.Coli Plasmid R1" . . . . . 100.00 110 100.00 100.00 8.22e-71 . . . . 6925 1 2 no PDB 2C06 . "Nmr-Based Model Of The Complex Of The Toxin Kid And A 5- Nucleotide Substrate Rna Fragment (Auaca)" . . . . . 100.00 110 100.00 100.00 8.22e-71 . . . . 6925 1 3 no DBJ BAA78898 . "plasmid stable inheritance protein [Shigella flexneri 2b]" . . . . . 100.00 133 100.00 100.00 7.19e-71 . . . . 6925 1 4 no DBJ BAL45864 . "plasmid stable inheritance protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 110 100.00 100.00 8.22e-71 . . . . 6925 1 5 no DBJ BAL48674 . "plasmid stable inheritance protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 110 100.00 100.00 8.22e-71 . . . . 6925 1 6 no DBJ BAN28644 . "Plasmid stable inheritance protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 110 100.00 100.00 8.22e-71 . . . . 6925 1 7 no DBJ BAP10671 . "putative programmed cell death toxin PemK [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" . . . . . 100.00 110 100.00 100.00 8.22e-71 . . . . 6925 1 8 no EMBL CAA29585 . "unnamed protein product [Plasmid R1]" . . . . . 100.00 133 100.00 100.00 7.19e-71 . . . . 6925 1 9 no EMBL CAB90820 . "KID fusion protein [Cloning vector pKID18]" . . . . . 100.00 134 99.09 100.00 2.00e-70 . . . . 6925 1 10 no EMBL CAB90822 . "KID fusion protein [Cloning vector pKID19]" . . . . . 100.00 135 99.09 100.00 2.74e-70 . . . . 6925 1 11 no EMBL CAD27776 . "KID [Cloning vector pTarg1]" . . . . . 99.09 111 100.00 100.00 6.66e-70 . . . . 6925 1 12 no EMBL CAH64731 . "toxin, growth inhibitor [uncultured bacterium]" . . . . . 100.00 110 100.00 100.00 8.22e-71 . . . . 6925 1 13 no GB AAA26070 . "ORF3 [Escherichia coli]" . . . . . 100.00 133 100.00 100.00 7.19e-71 . . . . 6925 1 14 no GB AAO49558 . "PemK [Escherichia coli]" . . . . . 100.00 133 100.00 100.00 7.19e-71 . . . . 6925 1 15 no GB AAR05736 . "PemK [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 110 100.00 100.00 8.22e-71 . . . . 6925 1 16 no GB AAR25128 . "PemK [Escherichia coli]" . . . . . 100.00 133 100.00 100.00 7.19e-71 . . . . 6925 1 17 no GB AAZ03778 . "PemK [Klebsiella pneumoniae]" . . . . . 78.18 97 98.84 98.84 7.08e-53 . . . . 6925 1 18 no REF NP_052994 . "plasmid stable inheritance protein [Shigella flexneri 2b]" . . . . . 100.00 133 100.00 100.00 7.19e-71 . . . . 6925 1 19 no REF NP_862963 . "hypothetical protein p165897_051 [Escherichia coli]" . . . . . 100.00 133 100.00 100.00 7.19e-71 . . . . 6925 1 20 no REF NP_957647 . "hypothetical protein pC15-1a_102 [Escherichia coli]" . . . . . 100.00 133 100.00 100.00 7.19e-71 . . . . 6925 1 21 no REF WP_000439432 . "hypothetical protein [Escherichia sp. TW09231]" . . . . . 100.00 110 97.27 98.18 2.55e-69 . . . . 6925 1 22 no REF WP_000439433 . "MULTISPECIES: hypothetical protein [Escherichia]" . . . . . 100.00 110 99.09 99.09 4.04e-70 . . . . 6925 1 23 no SP P13976 . "RecName: Full=mRNA interferase PemK; AltName: Full=Endoribonuclease PemK; AltName: Full=Kid toxin protein [Escherichia coli]" . . . . . 100.00 133 100.00 100.00 7.19e-71 . . . . 6925 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RNase . 6925 1 toxin . 6925 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID RNase 6925 1 toxin 6925 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 . 6925 1 2 . GLU . 6925 1 3 . ARG . 6925 1 4 . GLY . 6925 1 5 . GLU . 6925 1 6 . ILE . 6925 1 7 . TRP . 6925 1 8 . LEU . 6925 1 9 . VAL . 6925 1 10 . SER . 6925 1 11 . LEU . 6925 1 12 . ASP . 6925 1 13 . PRO . 6925 1 14 . THR . 6925 1 15 . ALA . 6925 1 16 . GLY . 6925 1 17 . HIS . 6925 1 18 . GLU . 6925 1 19 . GLN . 6925 1 20 . GLN . 6925 1 21 . GLY . 6925 1 22 . THR . 6925 1 23 . ARG . 6925 1 24 . PRO . 6925 1 25 . VAL . 6925 1 26 . LEU . 6925 1 27 . ILE . 6925 1 28 . VAL . 6925 1 29 . THR . 6925 1 30 . PRO . 6925 1 31 . ALA . 6925 1 32 . ALA . 6925 1 33 . PHE . 6925 1 34 . ASN . 6925 1 35 . ARG . 6925 1 36 . VAL . 6925 1 37 . THR . 6925 1 38 . ARG . 6925 1 39 . LEU . 6925 1 40 . PRO . 6925 1 41 . VAL . 6925 1 42 . VAL . 6925 1 43 . VAL . 6925 1 44 . PRO . 6925 1 45 . VAL . 6925 1 46 . THR . 6925 1 47 . SER . 6925 1 48 . GLY . 6925 1 49 . GLY . 6925 1 50 . ASN . 6925 1 51 . PHE . 6925 1 52 . ALA . 6925 1 53 . ARG . 6925 1 54 . THR . 6925 1 55 . ALA . 6925 1 56 . GLY . 6925 1 57 . PHE . 6925 1 58 . ALA . 6925 1 59 . VAL . 6925 1 60 . SER . 6925 1 61 . LEU . 6925 1 62 . ASP . 6925 1 63 . GLY . 6925 1 64 . VAL . 6925 1 65 . GLY . 6925 1 66 . ILE . 6925 1 67 . ARG . 6925 1 68 . THR . 6925 1 69 . THR . 6925 1 70 . GLY . 6925 1 71 . VAL . 6925 1 72 . VAL . 6925 1 73 . ARG . 6925 1 74 . CYS . 6925 1 75 . ASP . 6925 1 76 . GLN . 6925 1 77 . PRO . 6925 1 78 . ARG . 6925 1 79 . THR . 6925 1 80 . ILE . 6925 1 81 . ASP . 6925 1 82 . MET . 6925 1 83 . LYS . 6925 1 84 . ALA . 6925 1 85 . ARG . 6925 1 86 . GLY . 6925 1 87 . GLY . 6925 1 88 . LYS . 6925 1 89 . ARG . 6925 1 90 . LEU . 6925 1 91 . GLU . 6925 1 92 . ARG . 6925 1 93 . VAL . 6925 1 94 . PRO . 6925 1 95 . GLU . 6925 1 96 . THR . 6925 1 97 . ILE . 6925 1 98 . MET . 6925 1 99 . ASN . 6925 1 100 . GLU . 6925 1 101 . VAL . 6925 1 102 . LEU . 6925 1 103 . GLY . 6925 1 104 . ARG . 6925 1 105 . LEU . 6925 1 106 . SER . 6925 1 107 . THR . 6925 1 108 . ILE . 6925 1 109 . LEU . 6925 1 110 . THR . 6925 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 6925 1 . GLU 2 2 6925 1 . ARG 3 3 6925 1 . GLY 4 4 6925 1 . GLU 5 5 6925 1 . ILE 6 6 6925 1 . TRP 7 7 6925 1 . LEU 8 8 6925 1 . VAL 9 9 6925 1 . SER 10 10 6925 1 . LEU 11 11 6925 1 . ASP 12 12 6925 1 . PRO 13 13 6925 1 . THR 14 14 6925 1 . ALA 15 15 6925 1 . GLY 16 16 6925 1 . HIS 17 17 6925 1 . GLU 18 18 6925 1 . GLN 19 19 6925 1 . GLN 20 20 6925 1 . GLY 21 21 6925 1 . THR 22 22 6925 1 . ARG 23 23 6925 1 . PRO 24 24 6925 1 . VAL 25 25 6925 1 . LEU 26 26 6925 1 . ILE 27 27 6925 1 . VAL 28 28 6925 1 . THR 29 29 6925 1 . PRO 30 30 6925 1 . ALA 31 31 6925 1 . ALA 32 32 6925 1 . PHE 33 33 6925 1 . ASN 34 34 6925 1 . ARG 35 35 6925 1 . VAL 36 36 6925 1 . THR 37 37 6925 1 . ARG 38 38 6925 1 . LEU 39 39 6925 1 . PRO 40 40 6925 1 . VAL 41 41 6925 1 . VAL 42 42 6925 1 . VAL 43 43 6925 1 . PRO 44 44 6925 1 . VAL 45 45 6925 1 . THR 46 46 6925 1 . SER 47 47 6925 1 . GLY 48 48 6925 1 . GLY 49 49 6925 1 . ASN 50 50 6925 1 . PHE 51 51 6925 1 . ALA 52 52 6925 1 . ARG 53 53 6925 1 . THR 54 54 6925 1 . ALA 55 55 6925 1 . GLY 56 56 6925 1 . PHE 57 57 6925 1 . ALA 58 58 6925 1 . VAL 59 59 6925 1 . SER 60 60 6925 1 . LEU 61 61 6925 1 . ASP 62 62 6925 1 . GLY 63 63 6925 1 . VAL 64 64 6925 1 . GLY 65 65 6925 1 . ILE 66 66 6925 1 . ARG 67 67 6925 1 . THR 68 68 6925 1 . THR 69 69 6925 1 . GLY 70 70 6925 1 . VAL 71 71 6925 1 . VAL 72 72 6925 1 . ARG 73 73 6925 1 . CYS 74 74 6925 1 . ASP 75 75 6925 1 . GLN 76 76 6925 1 . PRO 77 77 6925 1 . ARG 78 78 6925 1 . THR 79 79 6925 1 . ILE 80 80 6925 1 . ASP 81 81 6925 1 . MET 82 82 6925 1 . LYS 83 83 6925 1 . ALA 84 84 6925 1 . ARG 85 85 6925 1 . GLY 86 86 6925 1 . GLY 87 87 6925 1 . LYS 88 88 6925 1 . ARG 89 89 6925 1 . LEU 90 90 6925 1 . GLU 91 91 6925 1 . ARG 92 92 6925 1 . VAL 93 93 6925 1 . PRO 94 94 6925 1 . GLU 95 95 6925 1 . THR 96 96 6925 1 . ILE 97 97 6925 1 . MET 98 98 6925 1 . ASN 99 99 6925 1 . GLU 100 100 6925 1 . VAL 101 101 6925 1 . LEU 102 102 6925 1 . GLY 103 103 6925 1 . ARG 104 104 6925 1 . LEU 105 105 6925 1 . SER 106 106 6925 1 . THR 107 107 6925 1 . ILE 108 108 6925 1 . LEU 109 109 6925 1 . THR 110 110 6925 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 6925 _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 $Kid_toxin . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . ParD . . . . . . 6925 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 6925 _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 $Kid_toxin . 'recombinant technology' . Bacteria . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6925 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6925 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 100 mM PO4 (K) pH 5.8 ; _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 'Kid toxin' '[U-13C; U-15N]' . . 1 $Kid_toxin . . 0.4 . . mM . . . . 6925 1 2 'PO4 (K)' . . . . . . . 100 . . mM . . . . 6925 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6925 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 100 mM PO4 (K) pH 5.8 303 K ; 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 5.8 0.01 pH 6925 1 temperature 303 0.1 K 6925 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6925 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6925 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6925 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6925 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6925 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6925 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6925 1 6 '3D CBA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6925 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6925 1 8 '3D HA(CA)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6925 1 9 '3D HBA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6925 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6925 _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 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6925 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6925 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6925 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6925 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6925 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.007 0.005 . 1 . . . . 1 MET HA . 6925 1 2 . 1 1 1 1 MET HB2 H 1 1.964 0.005 . 2 . . . . 1 MET HB1 . 6925 1 3 . 1 1 1 1 MET HB3 H 1 1.568 0.005 . 2 . . . . 1 MET HB2 . 6925 1 4 . 1 1 1 1 MET C C 13 176.581 0.02 . 1 . . . . 1 MET C . 6925 1 5 . 1 1 1 1 MET CA C 13 56.401 0.02 . 1 . . . . 1 MET CA . 6925 1 6 . 1 1 1 1 MET CB C 13 35.027 0.02 . 1 . . . . 1 MET CB . 6925 1 7 . 1 1 2 2 GLU H H 1 8.367 0.005 . 1 . . . . 2 GLU HN . 6925 1 8 . 1 1 2 2 GLU HA H 1 4.579 0.005 . 1 . . . . 2 GLU HA . 6925 1 9 . 1 1 2 2 GLU HB2 H 1 2.139 0.005 . 2 . . . . 2 GLU HB1 . 6925 1 10 . 1 1 2 2 GLU HB3 H 1 1.777 0.005 . 2 . . . . 2 GLU HB2 . 6925 1 11 . 1 1 2 2 GLU C C 13 174.055 0.02 . 1 . . . . 2 GLU C . 6925 1 12 . 1 1 2 2 GLU CA C 13 53.901 0.02 . 1 . . . . 2 GLU CA . 6925 1 13 . 1 1 2 2 GLU CB C 13 32.702 0.02 . 1 . . . . 2 GLU CB . 6925 1 14 . 1 1 2 2 GLU N N 15 126.148 0.02 . 1 . . . . 2 GLU N . 6925 1 15 . 1 1 3 3 ARG H H 1 8.581 0.005 . 1 . . . . 3 ARG HN . 6925 1 16 . 1 1 3 3 ARG HA H 1 3.801 0.005 . 1 . . . . 3 ARG HA . 6925 1 17 . 1 1 3 3 ARG HB2 H 1 1.724 0.005 . 2 . . . . 3 ARG HB1 . 6925 1 18 . 1 1 3 3 ARG HB3 H 1 1.667 0.005 . 2 . . . . 3 ARG HB2 . 6925 1 19 . 1 1 3 3 ARG C C 13 177.398 0.02 . 1 . . . . 3 ARG C . 6925 1 20 . 1 1 3 3 ARG CA C 13 57.425 0.02 . 1 . . . . 3 ARG CA . 6925 1 21 . 1 1 3 3 ARG CB C 13 30.781 0.02 . 1 . . . . 3 ARG CB . 6925 1 22 . 1 1 3 3 ARG N N 15 124.148 0.02 . 1 . . . . 3 ARG N . 6925 1 23 . 1 1 4 4 GLY H H 1 8.881 0.005 . 1 . . . . 4 GLY HN . 6925 1 24 . 1 1 4 4 GLY HA2 H 1 4.654 0.005 . 2 . . . . 4 GLY HA1 . 6925 1 25 . 1 1 4 4 GLY HA3 H 1 3.921 0.005 . 2 . . . . 4 GLY HA2 . 6925 1 26 . 1 1 4 4 GLY C C 13 173.884 0.02 . 1 . . . . 4 GLY C . 6925 1 27 . 1 1 4 4 GLY CA C 13 45.364 0.02 . 1 . . . . 4 GLY CA . 6925 1 28 . 1 1 4 4 GLY N N 15 115.530 0.02 . 1 . . . . 4 GLY N . 6925 1 29 . 1 1 5 5 GLU H H 1 7.807 0.005 . 1 . . . . 5 GLU HN . 6925 1 30 . 1 1 5 5 GLU HA H 1 4.772 0.005 . 1 . . . . 5 GLU HA . 6925 1 31 . 1 1 5 5 GLU HB2 H 1 2.138 0.005 . 2 . . . . 5 GLU HB1 . 6925 1 32 . 1 1 5 5 GLU C C 13 175.752 0.02 . 1 . . . . 5 GLU C . 6925 1 33 . 1 1 5 5 GLU CA C 13 56.255 0.02 . 1 . . . . 5 GLU CA . 6925 1 34 . 1 1 5 5 GLU CB C 13 31.992 0.02 . 1 . . . . 5 GLU CB . 6925 1 35 . 1 1 5 5 GLU N N 15 116.901 0.02 . 1 . . . . 5 GLU N . 6925 1 36 . 1 1 6 6 ILE H H 1 9.259 0.005 . 1 . . . . 6 ILE HN . 6925 1 37 . 1 1 6 6 ILE HA H 1 5.557 0.005 . 1 . . . . 6 ILE HA . 6925 1 38 . 1 1 6 6 ILE HB H 1 1.670 0.005 . 1 . . . . 6 ILE HB . 6925 1 39 . 1 1 6 6 ILE C C 13 176.112 0.02 . 1 . . . . 6 ILE C . 6925 1 40 . 1 1 6 6 ILE CA C 13 59.261 0.02 . 1 . . . . 6 ILE CA . 6925 1 41 . 1 1 6 6 ILE CB C 13 38.540 0.02 . 1 . . . . 6 ILE CB . 6925 1 42 . 1 1 6 6 ILE N N 15 121.772 0.02 . 1 . . . . 6 ILE N . 6925 1 43 . 1 1 7 7 TRP H H 1 9.569 0.005 . 1 . . . . 7 TRP HN . 6925 1 44 . 1 1 7 7 TRP HA H 1 5.214 0.005 . 1 . . . . 7 TRP HA . 6925 1 45 . 1 1 7 7 TRP HB2 H 1 3.027 0.005 . 2 . . . . 7 TRP HB1 . 6925 1 46 . 1 1 7 7 TRP HB3 H 1 2.634 0.005 . 2 . . . . 7 TRP HB2 . 6925 1 47 . 1 1 7 7 TRP C C 13 173.879 0.02 . 1 . . . . 7 TRP C . 6925 1 48 . 1 1 7 7 TRP CA C 13 55.727 0.02 . 1 . . . . 7 TRP CA . 6925 1 49 . 1 1 7 7 TRP CB C 13 31.888 0.02 . 1 . . . . 7 TRP CB . 6925 1 50 . 1 1 7 7 TRP N N 15 129.626 0.02 . 1 . . . . 7 TRP N . 6925 1 51 . 1 1 8 8 LEU H H 1 9.462 0.005 . 1 . . . . 8 LEU HN . 6925 1 52 . 1 1 8 8 LEU HA H 1 4.725 0.005 . 1 . . . . 8 LEU HA . 6925 1 53 . 1 1 8 8 LEU HB2 H 1 1.757 0.005 . 2 . . . . 8 LEU HB1 . 6925 1 54 . 1 1 8 8 LEU HB3 H 1 1.363 0.005 . 2 . . . . 8 LEU HB2 . 6925 1 55 . 1 1 8 8 LEU C C 13 176.312 0.02 . 1 . . . . 8 LEU C . 6925 1 56 . 1 1 8 8 LEU CA C 13 54.036 0.02 . 1 . . . . 8 LEU CA . 6925 1 57 . 1 1 8 8 LEU CB C 13 44.213 0.02 . 1 . . . . 8 LEU CB . 6925 1 58 . 1 1 8 8 LEU N N 15 123.567 0.02 . 1 . . . . 8 LEU N . 6925 1 59 . 1 1 9 9 VAL H H 1 8.648 0.005 . 1 . . . . 9 VAL HN . 6925 1 60 . 1 1 9 9 VAL HA H 1 4.657 0.005 . 1 . . . . 9 VAL HA . 6925 1 61 . 1 1 9 9 VAL HB H 1 2.014 0.005 . 1 . . . . 9 VAL HB . 6925 1 62 . 1 1 9 9 VAL C C 13 171.151 0.02 . 1 . . . . 9 VAL C . 6925 1 63 . 1 1 9 9 VAL CA C 13 60.179 0.02 . 1 . . . . 9 VAL CA . 6925 1 64 . 1 1 9 9 VAL CB C 13 35.622 0.02 . 1 . . . . 9 VAL CB . 6925 1 65 . 1 1 9 9 VAL N N 15 127.035 0.02 . 1 . . . . 9 VAL N . 6925 1 66 . 1 1 10 10 SER H H 1 8.047 0.005 . 1 . . . . 10 SER HN . 6925 1 67 . 1 1 10 10 SER HA H 1 4.665 0.005 . 1 . . . . 10 SER HA . 6925 1 68 . 1 1 10 10 SER HB2 H 1 3.981 0.005 . 2 . . . . 10 SER HB1 . 6925 1 69 . 1 1 10 10 SER HB3 H 1 3.827 0.005 . 2 . . . . 10 SER HB2 . 6925 1 70 . 1 1 10 10 SER C C 13 176.165 0.02 . 1 . . . . 10 SER C . 6925 1 71 . 1 1 10 10 SER CA C 13 58.244 0.02 . 1 . . . . 10 SER CA . 6925 1 72 . 1 1 10 10 SER CB C 13 63.678 0.02 . 1 . . . . 10 SER CB . 6925 1 73 . 1 1 10 10 SER N N 15 117.961 0.02 . 1 . . . . 10 SER N . 6925 1 74 . 1 1 11 11 LEU H H 1 8.452 0.005 . 1 . . . . 11 LEU HN . 6925 1 75 . 1 1 11 11 LEU HA H 1 4.176 0.005 . 1 . . . . 11 LEU HA . 6925 1 76 . 1 1 11 11 LEU HB2 H 1 1.841 0.005 . 2 . . . . 11 LEU HB1 . 6925 1 77 . 1 1 11 11 LEU HB3 H 1 1.460 0.005 . 2 . . . . 11 LEU HB2 . 6925 1 78 . 1 1 11 11 LEU C C 13 176.575 0.02 . 1 . . . . 11 LEU C . 6925 1 79 . 1 1 11 11 LEU CA C 13 54.363 0.02 . 1 . . . . 11 LEU CA . 6925 1 80 . 1 1 11 11 LEU CB C 13 41.945 0.02 . 1 . . . . 11 LEU CB . 6925 1 81 . 1 1 11 11 LEU N N 15 127.939 0.02 . 1 . . . . 11 LEU N . 6925 1 82 . 1 1 12 12 ASP H H 1 7.230 0.005 . 1 . . . . 12 ASP HN . 6925 1 83 . 1 1 12 12 ASP HA H 1 4.536 0.005 . 1 . . . . 12 ASP HA . 6925 1 84 . 1 1 12 12 ASP HB2 H 1 2.666 0.005 . 2 . . . . 12 ASP HB1 . 6925 1 85 . 1 1 12 12 ASP HB3 H 1 2.177 0.005 . 2 . . . . 12 ASP HB2 . 6925 1 86 . 1 1 12 12 ASP CA C 13 54.573 0.02 . 1 . . . . 12 ASP CA . 6925 1 87 . 1 1 12 12 ASP CB C 13 41.164 0.02 . 1 . . . . 12 ASP CB . 6925 1 88 . 1 1 12 12 ASP N N 15 117.831 0.02 . 1 . . . . 12 ASP N . 6925 1 89 . 1 1 13 13 PRO HA H 1 4.813 0.005 . 1 . . . . 13 PRO HA . 6925 1 90 . 1 1 13 13 PRO HB2 H 1 2.628 0.005 . 2 . . . . 13 PRO HB1 . 6925 1 91 . 1 1 13 13 PRO HB3 H 1 2.003 0.005 . 2 . . . . 13 PRO HB2 . 6925 1 92 . 1 1 13 13 PRO C C 13 176.752 0.02 . 1 . . . . 13 PRO C . 6925 1 93 . 1 1 13 13 PRO CA C 13 61.830 0.02 . 1 . . . . 13 PRO CA . 6925 1 94 . 1 1 13 13 PRO CB C 13 34.950 0.02 . 1 . . . . 13 PRO CB . 6925 1 95 . 1 1 14 14 THR H H 1 8.439 0.005 . 1 . . . . 14 THR HN . 6925 1 96 . 1 1 14 14 THR HA H 1 4.445 0.005 . 1 . . . . 14 THR HA . 6925 1 97 . 1 1 14 14 THR HB H 1 4.464 0.005 . 1 . . . . 14 THR HB . 6925 1 98 . 1 1 14 14 THR C C 13 172.118 0.02 . 1 . . . . 14 THR C . 6925 1 99 . 1 1 14 14 THR CA C 13 60.693 0.02 . 1 . . . . 14 THR CA . 6925 1 100 . 1 1 14 14 THR CB C 13 71.540 0.02 . 1 . . . . 14 THR CB . 6925 1 101 . 1 1 14 14 THR N N 15 112.610 0.02 . 1 . . . . 14 THR N . 6925 1 102 . 1 1 15 15 ALA H H 1 8.191 0.005 . 1 . . . . 15 ALA HN . 6925 1 103 . 1 1 15 15 ALA HA H 1 4.729 0.005 . 1 . . . . 15 ALA HA . 6925 1 104 . 1 1 15 15 ALA HB1 H 1 1.245 0.005 . 1 . . . . 15 ALA HB . 6925 1 105 . 1 1 15 15 ALA HB2 H 1 1.245 0.005 . 1 . . . . 15 ALA HB . 6925 1 106 . 1 1 15 15 ALA HB3 H 1 1.245 0.005 . 1 . . . . 15 ALA HB . 6925 1 107 . 1 1 15 15 ALA C C 13 177.265 0.02 . 1 . . . . 15 ALA C . 6925 1 108 . 1 1 15 15 ALA CA C 13 50.410 0.02 . 1 . . . . 15 ALA CA . 6925 1 109 . 1 1 15 15 ALA CB C 13 22.766 0.02 . 1 . . . . 15 ALA CB . 6925 1 110 . 1 1 15 15 ALA N N 15 121.911 0.02 . 1 . . . . 15 ALA N . 6925 1 111 . 1 1 16 16 GLY H H 1 8.532 0.005 . 1 . . . . 16 GLY HN . 6925 1 112 . 1 1 16 16 GLY HA2 H 1 3.777 0.005 . 2 . . . . 16 GLY HA1 . 6925 1 113 . 1 1 16 16 GLY HA3 H 1 3.503 0.005 . 2 . . . . 16 GLY HA2 . 6925 1 114 . 1 1 16 16 GLY C C 13 176.125 0.02 . 1 . . . . 16 GLY C . 6925 1 115 . 1 1 16 16 GLY CA C 13 46.701 0.02 . 1 . . . . 16 GLY CA . 6925 1 116 . 1 1 16 16 GLY N N 15 105.884 0.02 . 1 . . . . 16 GLY N . 6925 1 117 . 1 1 17 17 HIS H H 1 10.304 0.005 . 1 . . . . 17 HIS HN . 6925 1 118 . 1 1 17 17 HIS HA H 1 4.654 0.005 . 1 . . . . 17 HIS HA . 6925 1 119 . 1 1 17 17 HIS HB2 H 1 3.582 0.005 . 2 . . . . 17 HIS HB1 . 6925 1 120 . 1 1 17 17 HIS HB3 H 1 2.895 0.005 . 2 . . . . 17 HIS HB2 . 6925 1 121 . 1 1 17 17 HIS C C 13 175.092 0.02 . 1 . . . . 17 HIS C . 6925 1 122 . 1 1 17 17 HIS CA C 13 55.911 0.02 . 1 . . . . 17 HIS CA . 6925 1 123 . 1 1 17 17 HIS CB C 13 28.474 0.02 . 1 . . . . 17 HIS CB . 6925 1 124 . 1 1 17 17 HIS N N 15 125.130 0.02 . 1 . . . . 17 HIS N . 6925 1 125 . 1 1 18 18 GLU H H 1 7.847 0.005 . 1 . . . . 18 GLU HN . 6925 1 126 . 1 1 18 18 GLU HA H 1 3.827 0.005 . 1 . . . . 18 GLU HA . 6925 1 127 . 1 1 18 18 GLU HB2 H 1 2.208 0.005 . 2 . . . . 18 GLU HB1 . 6925 1 128 . 1 1 18 18 GLU HB3 H 1 1.984 0.005 . 2 . . . . 18 GLU HB2 . 6925 1 129 . 1 1 18 18 GLU C C 13 177.135 0.02 . 1 . . . . 18 GLU C . 6925 1 130 . 1 1 18 18 GLU CA C 13 56.715 0.02 . 1 . . . . 18 GLU CA . 6925 1 131 . 1 1 18 18 GLU CB C 13 30.097 0.02 . 1 . . . . 18 GLU CB . 6925 1 132 . 1 1 18 18 GLU N N 15 121.129 0.02 . 1 . . . . 18 GLU N . 6925 1 133 . 1 1 19 19 GLN H H 1 8.547 0.005 . 1 . . . . 19 GLN HN . 6925 1 134 . 1 1 19 19 GLN HA H 1 3.864 0.005 . 1 . . . . 19 GLN HA . 6925 1 135 . 1 1 19 19 GLN HB2 H 1 1.937 0.005 . 2 . . . . 19 GLN HB1 . 6925 1 136 . 1 1 19 19 GLN HB3 H 1 1.810 0.005 . 2 . . . . 19 GLN HB2 . 6925 1 137 . 1 1 19 19 GLN C C 13 174.206 0.02 . 1 . . . . 19 GLN C . 6925 1 138 . 1 1 19 19 GLN CA C 13 57.065 0.02 . 1 . . . . 19 GLN CA . 6925 1 139 . 1 1 19 19 GLN CB C 13 28.410 0.02 . 1 . . . . 19 GLN CB . 6925 1 140 . 1 1 19 19 GLN N N 15 122.644 0.02 . 1 . . . . 19 GLN N . 6925 1 141 . 1 1 20 20 GLN H H 1 8.294 0.005 . 1 . . . . 20 GLN HN . 6925 1 142 . 1 1 20 20 GLN HA H 1 4.766 0.005 . 1 . . . . 20 GLN HA . 6925 1 143 . 1 1 20 20 GLN HB2 H 1 2.296 0.005 . 2 . . . . 20 GLN HB1 . 6925 1 144 . 1 1 20 20 GLN HB3 H 1 2.145 0.005 . 2 . . . . 20 GLN HB2 . 6925 1 145 . 1 1 20 20 GLN C C 13 176.972 0.02 . 1 . . . . 20 GLN C . 6925 1 146 . 1 1 20 20 GLN CA C 13 54.227 0.02 . 1 . . . . 20 GLN CA . 6925 1 147 . 1 1 20 20 GLN CB C 13 32.240 0.02 . 1 . . . . 20 GLN CB . 6925 1 148 . 1 1 20 20 GLN N N 15 123.548 0.02 . 1 . . . . 20 GLN N . 6925 1 149 . 1 1 21 21 GLY H H 1 9.311 0.005 . 1 . . . . 21 GLY HN . 6925 1 150 . 1 1 21 21 GLY HA2 H 1 4.274 0.005 . 2 . . . . 21 GLY HA1 . 6925 1 151 . 1 1 21 21 GLY HA3 H 1 4.028 0.005 . 2 . . . . 21 GLY HA2 . 6925 1 152 . 1 1 21 21 GLY C C 13 173.935 0.02 . 1 . . . . 21 GLY C . 6925 1 153 . 1 1 21 21 GLY CA C 13 45.243 0.02 . 1 . . . . 21 GLY CA . 6925 1 154 . 1 1 21 21 GLY N N 15 109.686 0.02 . 1 . . . . 21 GLY N . 6925 1 155 . 1 1 22 22 THR H H 1 8.335 0.005 . 1 . . . . 22 THR HN . 6925 1 156 . 1 1 22 22 THR HA H 1 4.976 0.005 . 1 . . . . 22 THR HA . 6925 1 157 . 1 1 22 22 THR HB H 1 4.047 0.005 . 1 . . . . 22 THR HB . 6925 1 158 . 1 1 22 22 THR C C 13 174.247 0.02 . 1 . . . . 22 THR C . 6925 1 159 . 1 1 22 22 THR CA C 13 62.115 0.02 . 1 . . . . 22 THR CA . 6925 1 160 . 1 1 22 22 THR CB C 13 68.281 0.02 . 1 . . . . 22 THR CB . 6925 1 161 . 1 1 22 22 THR N N 15 116.067 0.02 . 1 . . . . 22 THR N . 6925 1 162 . 1 1 23 23 ARG H H 1 8.554 0.005 . 1 . . . . 23 ARG HN . 6925 1 163 . 1 1 23 23 ARG HA H 1 4.995 0.005 . 1 . . . . 23 ARG HA . 6925 1 164 . 1 1 23 23 ARG HB2 H 1 2.034 0.005 . 2 . . . . 23 ARG HB1 . 6925 1 165 . 1 1 23 23 ARG HB3 H 1 1.744 0.005 . 2 . . . . 23 ARG HB2 . 6925 1 166 . 1 1 23 23 ARG CA C 13 52.469 0.02 . 1 . . . . 23 ARG CA . 6925 1 167 . 1 1 23 23 ARG CB C 13 30.205 0.02 . 1 . . . . 23 ARG CB . 6925 1 168 . 1 1 23 23 ARG N N 15 125.649 0.02 . 1 . . . . 23 ARG N . 6925 1 169 . 1 1 24 24 PRO HA H 1 5.219 0.005 . 1 . . . . 24 PRO HA . 6925 1 170 . 1 1 24 24 PRO HB2 H 1 2.094 0.005 . 2 . . . . 24 PRO HB1 . 6925 1 171 . 1 1 24 24 PRO HB3 H 1 1.539 0.005 . 2 . . . . 24 PRO HB2 . 6925 1 172 . 1 1 24 24 PRO C C 13 175.813 0.02 . 1 . . . . 24 PRO C . 6925 1 173 . 1 1 24 24 PRO CA C 13 61.430 0.02 . 1 . . . . 24 PRO CA . 6925 1 174 . 1 1 24 24 PRO CB C 13 31.268 0.02 . 1 . . . . 24 PRO CB . 6925 1 175 . 1 1 25 25 VAL H H 1 9.561 0.005 . 1 . . . . 25 VAL HN . 6925 1 176 . 1 1 25 25 VAL HA H 1 5.017 0.005 . 1 . . . . 25 VAL HA . 6925 1 177 . 1 1 25 25 VAL HB H 1 1.816 0.005 . 1 . . . . 25 VAL HB . 6925 1 178 . 1 1 25 25 VAL C C 13 172.439 0.02 . 1 . . . . 25 VAL C . 6925 1 179 . 1 1 25 25 VAL CA C 13 57.967 0.02 . 1 . . . . 25 VAL CA . 6925 1 180 . 1 1 25 25 VAL CB C 13 35.302 0.02 . 1 . . . . 25 VAL CB . 6925 1 181 . 1 1 25 25 VAL N N 15 114.520 0.02 . 1 . . . . 25 VAL N . 6925 1 182 . 1 1 26 26 LEU H H 1 9.278 0.005 . 1 . . . . 26 LEU HN . 6925 1 183 . 1 1 26 26 LEU HA H 1 5.272 0.005 . 1 . . . . 26 LEU HA . 6925 1 184 . 1 1 26 26 LEU HB2 H 1 1.915 0.005 . 2 . . . . 26 LEU HB1 . 6925 1 185 . 1 1 26 26 LEU HB3 H 1 0.913 0.005 . 2 . . . . 26 LEU HB2 . 6925 1 186 . 1 1 26 26 LEU C C 13 176.432 0.02 . 1 . . . . 26 LEU C . 6925 1 187 . 1 1 26 26 LEU CA C 13 52.604 0.02 . 1 . . . . 26 LEU CA . 6925 1 188 . 1 1 26 26 LEU CB C 13 45.738 0.02 . 1 . . . . 26 LEU CB . 6925 1 189 . 1 1 26 26 LEU N N 15 124.157 0.02 . 1 . . . . 26 LEU N . 6925 1 190 . 1 1 27 27 ILE H H 1 9.046 0.005 . 1 . . . . 27 ILE HN . 6925 1 191 . 1 1 27 27 ILE HA H 1 4.012 0.005 . 1 . . . . 27 ILE HA . 6925 1 192 . 1 1 27 27 ILE HB H 1 2.399 0.005 . 1 . . . . 27 ILE HB . 6925 1 193 . 1 1 27 27 ILE C C 13 176.479 0.02 . 1 . . . . 27 ILE C . 6925 1 194 . 1 1 27 27 ILE CA C 13 62.653 0.02 . 1 . . . . 27 ILE CA . 6925 1 195 . 1 1 27 27 ILE CB C 13 36.797 0.02 . 1 . . . . 27 ILE CB . 6925 1 196 . 1 1 27 27 ILE N N 15 125.382 0.02 . 1 . . . . 27 ILE N . 6925 1 197 . 1 1 28 28 VAL H H 1 9.030 0.005 . 1 . . . . 28 VAL HN . 6925 1 198 . 1 1 28 28 VAL HA H 1 4.286 0.005 . 1 . . . . 28 VAL HA . 6925 1 199 . 1 1 28 28 VAL HB H 1 1.936 0.005 . 1 . . . . 28 VAL HB . 6925 1 200 . 1 1 28 28 VAL C C 13 175.870 0.02 . 1 . . . . 28 VAL C . 6925 1 201 . 1 1 28 28 VAL CA C 13 62.816 0.02 . 1 . . . . 28 VAL CA . 6925 1 202 . 1 1 28 28 VAL CB C 13 32.669 0.02 . 1 . . . . 28 VAL CB . 6925 1 203 . 1 1 28 28 VAL N N 15 122.746 0.02 . 1 . . . . 28 VAL N . 6925 1 204 . 1 1 29 29 THR H H 1 7.591 0.005 . 1 . . . . 29 THR HN . 6925 1 205 . 1 1 29 29 THR HA H 1 4.579 0.005 . 1 . . . . 29 THR HA . 6925 1 206 . 1 1 29 29 THR HB H 1 4.096 0.005 . 1 . . . . 29 THR HB . 6925 1 207 . 1 1 29 29 THR CA C 13 58.414 0.02 . 1 . . . . 29 THR CA . 6925 1 208 . 1 1 29 29 THR CB C 13 68.000 0.02 . 1 . . . . 29 THR CB . 6925 1 209 . 1 1 29 29 THR N N 15 111.843 0.02 . 1 . . . . 29 THR N . 6925 1 210 . 1 1 30 30 PRO HA H 1 4.715 0.005 . 1 . . . . 30 PRO HA . 6925 1 211 . 1 1 30 30 PRO HB2 H 1 2.355 0.005 . 1 . . . . 30 PRO HB1 . 6925 1 212 . 1 1 30 30 PRO HB3 H 1 2.355 0.005 . 1 . . . . 30 PRO HB2 . 6925 1 213 . 1 1 30 30 PRO C C 13 177.915 0.02 . 1 . . . . 30 PRO C . 6925 1 214 . 1 1 30 30 PRO CA C 13 62.020 0.02 . 1 . . . . 30 PRO CA . 6925 1 215 . 1 1 30 30 PRO CB C 13 33.109 0.02 . 1 . . . . 30 PRO CB . 6925 1 216 . 1 1 31 31 ALA H H 1 9.407 0.005 . 1 . . . . 31 ALA HN . 6925 1 217 . 1 1 31 31 ALA HA H 1 4.323 0.005 . 1 . . . . 31 ALA HA . 6925 1 218 . 1 1 31 31 ALA HB1 H 1 1.548 0.005 . 1 . . . . 31 ALA HB . 6925 1 219 . 1 1 31 31 ALA HB2 H 1 1.548 0.005 . 1 . . . . 31 ALA HB . 6925 1 220 . 1 1 31 31 ALA HB3 H 1 1.548 0.005 . 1 . . . . 31 ALA HB . 6925 1 221 . 1 1 31 31 ALA C C 13 179.168 0.02 . 1 . . . . 31 ALA C . 6925 1 222 . 1 1 31 31 ALA CA C 13 56.183 0.02 . 1 . . . . 31 ALA CA . 6925 1 223 . 1 1 31 31 ALA CB C 13 19.161 0.02 . 1 . . . . 31 ALA CB . 6925 1 224 . 1 1 31 31 ALA N N 15 125.151 0.02 . 1 . . . . 31 ALA N . 6925 1 225 . 1 1 32 32 ALA H H 1 8.967 0.005 . 1 . . . . 32 ALA HN . 6925 1 226 . 1 1 32 32 ALA HA H 1 4.067 0.005 . 1 . . . . 32 ALA HA . 6925 1 227 . 1 1 32 32 ALA HB1 H 1 1.901 0.005 . 1 . . . . 32 ALA HB1 . 6925 1 228 . 1 1 32 32 ALA HB2 H 1 1.901 0.005 . 1 . . . . 32 ALA HB2 . 6925 1 229 . 1 1 32 32 ALA HB3 H 1 1.901 0.005 . 1 . . . . 32 ALA HB2 . 6925 1 230 . 1 1 32 32 ALA C C 13 177.134 0.02 . 1 . . . . 32 ALA C . 6925 1 231 . 1 1 32 32 ALA CA C 13 55.577 0.02 . 1 . . . . 32 ALA CA . 6925 1 232 . 1 1 32 32 ALA CB C 13 18.343 0.02 . 1 . . . . 32 ALA CB . 6925 1 233 . 1 1 32 32 ALA N N 15 117.806 0.02 . 1 . . . . 32 ALA N . 6925 1 234 . 1 1 33 33 PHE H H 1 7.145 0.005 . 1 . . . . 33 PHE HN . 6925 1 235 . 1 1 33 33 PHE HA H 1 4.361 0.005 . 1 . . . . 33 PHE HA . 6925 1 236 . 1 1 33 33 PHE HB2 H 1 3.225 0.005 . 1 . . . . 33 PHE HB1 . 6925 1 237 . 1 1 33 33 PHE HB3 H 1 3.225 0.005 . 1 . . . . 33 PHE HB2 . 6925 1 238 . 1 1 33 33 PHE C C 13 176.884 0.02 . 1 . . . . 33 PHE C . 6925 1 239 . 1 1 33 33 PHE CA C 13 60.401 0.02 . 1 . . . . 33 PHE CA . 6925 1 240 . 1 1 33 33 PHE CB C 13 39.714 0.02 . 1 . . . . 33 PHE CB . 6925 1 241 . 1 1 33 33 PHE N N 15 117.319 0.02 . 1 . . . . 33 PHE N . 6925 1 242 . 1 1 34 34 ASN H H 1 8.435 0.005 . 1 . . . . 34 ASN HN . 6925 1 243 . 1 1 34 34 ASN HA H 1 4.037 0.005 . 1 . . . . 34 ASN HA . 6925 1 244 . 1 1 34 34 ASN HB2 H 1 2.872 0.005 . 2 . . . . 34 ASN HB1 . 6925 1 245 . 1 1 34 34 ASN HB3 H 1 2.577 0.005 . 2 . . . . 34 ASN HB2 . 6925 1 246 . 1 1 34 34 ASN C C 13 178.069 0.02 . 1 . . . . 34 ASN C . 6925 1 247 . 1 1 34 34 ASN CA C 13 55.967 0.02 . 1 . . . . 34 ASN CA . 6925 1 248 . 1 1 34 34 ASN CB C 13 38.040 0.02 . 1 . . . . 34 ASN CB . 6925 1 249 . 1 1 34 34 ASN N N 15 119.323 0.02 . 1 . . . . 34 ASN N . 6925 1 250 . 1 1 35 35 ARG H H 1 8.824 0.005 . 1 . . . . 35 ARG HN . 6925 1 251 . 1 1 35 35 ARG HA H 1 4.067 0.005 . 1 . . . . 35 ARG HA . 6925 1 252 . 1 1 35 35 ARG HB2 H 1 1.901 0.005 . 2 . . . . 35 ARG HB1 . 6925 1 253 . 1 1 35 35 ARG HB3 H 1 1.508 0.005 . 2 . . . . 35 ARG HB2 . 6925 1 254 . 1 1 35 35 ARG C C 13 174.712 0.02 . 1 . . . . 35 ARG C . 6925 1 255 . 1 1 35 35 ARG CA C 13 58.535 0.02 . 1 . . . . 35 ARG CA . 6925 1 256 . 1 1 35 35 ARG CB C 13 29.274 0.02 . 1 . . . . 35 ARG CB . 6925 1 257 . 1 1 35 35 ARG N N 15 118.044 0.02 . 1 . . . . 35 ARG N . 6925 1 258 . 1 1 36 36 VAL H H 1 7.137 0.005 . 1 . . . . 36 VAL HN . 6925 1 259 . 1 1 36 36 VAL HA H 1 3.874 0.005 . 1 . . . . 36 VAL HA . 6925 1 260 . 1 1 36 36 VAL HB H 1 2.066 0.005 . 1 . . . . 36 VAL HB . 6925 1 261 . 1 1 36 36 VAL C C 13 177.472 0.02 . 1 . . . . 36 VAL C . 6925 1 262 . 1 1 36 36 VAL CA C 13 64.978 0.02 . 1 . . . . 36 VAL CA . 6925 1 263 . 1 1 36 36 VAL CB C 13 32.496 0.02 . 1 . . . . 36 VAL CB . 6925 1 264 . 1 1 36 36 VAL N N 15 117.495 0.02 . 1 . . . . 36 VAL N . 6925 1 265 . 1 1 37 37 THR H H 1 7.948 0.005 . 1 . . . . 37 THR HN . 6925 1 266 . 1 1 37 37 THR HA H 1 3.893 0.005 . 1 . . . . 37 THR HA . 6925 1 267 . 1 1 37 37 THR HB H 1 4.085 0.005 . 1 . . . . 37 THR HB . 6925 1 268 . 1 1 37 37 THR C C 13 175.613 0.02 . 1 . . . . 37 THR C . 6925 1 269 . 1 1 37 37 THR CA C 13 62.759 0.02 . 1 . . . . 37 THR CA . 6925 1 270 . 1 1 37 37 THR CB C 13 69.542 0.02 . 1 . . . . 37 THR CB . 6925 1 271 . 1 1 37 37 THR N N 15 108.403 0.02 . 1 . . . . 37 THR N . 6925 1 272 . 1 1 38 38 ARG H H 1 7.639 0.005 . 1 . . . . 38 ARG HN . 6925 1 273 . 1 1 38 38 ARG HA H 1 3.838 0.005 . 1 . . . . 38 ARG HA . 6925 1 274 . 1 1 38 38 ARG HB2 H 1 1.453 0.005 . 1 . . . . 38 ARG HB1 . 6925 1 275 . 1 1 38 38 ARG HB3 H 1 1.453 0.005 . 1 . . . . 38 ARG HB2 . 6925 1 276 . 1 1 38 38 ARG C C 13 174.469 0.02 . 1 . . . . 38 ARG C . 6925 1 277 . 1 1 38 38 ARG CA C 13 57.592 0.02 . 1 . . . . 38 ARG CA . 6925 1 278 . 1 1 38 38 ARG CB C 13 27.293 0.02 . 1 . . . . 38 ARG CB . 6925 1 279 . 1 1 38 38 ARG N N 15 114.309 0.02 . 1 . . . . 38 ARG N . 6925 1 280 . 1 1 39 39 LEU H H 1 7.832 0.005 . 1 . . . . 39 LEU HN . 6925 1 281 . 1 1 39 39 LEU HA H 1 5.225 0.005 . 1 . . . . 39 LEU HA . 6925 1 282 . 1 1 39 39 LEU HB2 H 1 1.260 0.005 . 2 . . . . 39 LEU HB1 . 6925 1 283 . 1 1 39 39 LEU HB3 H 1 1.212 0.005 . 2 . . . . 39 LEU HB2 . 6925 1 284 . 1 1 39 39 LEU CA C 13 52.373 0.02 . 1 . . . . 39 LEU CA . 6925 1 285 . 1 1 39 39 LEU CB C 13 44.118 0.02 . 1 . . . . 39 LEU CB . 6925 1 286 . 1 1 39 39 LEU N N 15 121.653 0.02 . 1 . . . . 39 LEU N . 6925 1 287 . 1 1 40 40 PRO HA H 1 4.476 0.005 . 1 . . . . 40 PRO HA . 6925 1 288 . 1 1 40 40 PRO HB2 H 1 1.670 0.005 . 2 . . . . 40 PRO HB1 . 6925 1 289 . 1 1 40 40 PRO HB3 H 1 1.526 0.005 . 2 . . . . 40 PRO HB2 . 6925 1 290 . 1 1 40 40 PRO C C 13 175.035 0.02 . 1 . . . . 40 PRO C . 6925 1 291 . 1 1 40 40 PRO CA C 13 61.912 0.02 . 1 . . . . 40 PRO CA . 6925 1 292 . 1 1 40 40 PRO CB C 13 32.891 0.02 . 1 . . . . 40 PRO CB . 6925 1 293 . 1 1 41 41 VAL H H 1 7.563 0.005 . 1 . . . . 41 VAL HN . 6925 1 294 . 1 1 41 41 VAL HA H 1 4.396 0.005 . 1 . . . . 41 VAL HA . 6925 1 295 . 1 1 41 41 VAL HB H 1 1.724 0.005 . 1 . . . . 41 VAL HB . 6925 1 296 . 1 1 41 41 VAL C C 13 175.662 0.02 . 1 . . . . 41 VAL C . 6925 1 297 . 1 1 41 41 VAL CA C 13 61.991 0.02 . 1 . . . . 41 VAL CA . 6925 1 298 . 1 1 41 41 VAL CB C 13 31.620 0.02 . 1 . . . . 41 VAL CB . 6925 1 299 . 1 1 41 41 VAL N N 15 117.307 0.02 . 1 . . . . 41 VAL N . 6925 1 300 . 1 1 42 42 VAL H H 1 8.811 0.005 . 1 . . . . 42 VAL HN . 6925 1 301 . 1 1 42 42 VAL HA H 1 5.759 0.005 . 1 . . . . 42 VAL HA . 6925 1 302 . 1 1 42 42 VAL HB H 1 1.898 0.005 . 1 . . . . 42 VAL HB . 6925 1 303 . 1 1 42 42 VAL C C 13 174.859 0.02 . 1 . . . . 42 VAL C . 6925 1 304 . 1 1 42 42 VAL CA C 13 57.327 0.02 . 1 . . . . 42 VAL CA . 6925 1 305 . 1 1 42 42 VAL CB C 13 34.688 0.02 . 1 . . . . 42 VAL CB . 6925 1 306 . 1 1 42 42 VAL N N 15 119.855 0.02 . 1 . . . . 42 VAL N . 6925 1 307 . 1 1 43 43 VAL H H 1 8.423 0.005 . 1 . . . . 43 VAL HN . 6925 1 308 . 1 1 43 43 VAL HA H 1 5.014 0.005 . 1 . . . . 43 VAL HA . 6925 1 309 . 1 1 43 43 VAL HB H 1 2.160 0.005 . 1 . . . . 43 VAL HB . 6925 1 310 . 1 1 43 43 VAL CA C 13 56.553 0.02 . 1 . . . . 43 VAL CA . 6925 1 311 . 1 1 43 43 VAL CB C 13 32.103 0.02 . 1 . . . . 43 VAL CB . 6925 1 312 . 1 1 43 43 VAL N N 15 110.883 0.02 . 1 . . . . 43 VAL N . 6925 1 313 . 1 1 44 44 PRO HA H 1 4.825 0.005 . 1 . . . . 44 PRO HA . 6925 1 314 . 1 1 44 44 PRO HB2 H 1 1.925 0.005 . 2 . . . . 44 PRO HB1 . 6925 1 315 . 1 1 44 44 PRO HB3 H 1 1.653 0.005 . 2 . . . . 44 PRO HB2 . 6925 1 316 . 1 1 44 44 PRO C C 13 173.653 0.02 . 1 . . . . 44 PRO C . 6925 1 317 . 1 1 44 44 PRO CA C 13 62.775 0.02 . 1 . . . . 44 PRO CA . 6925 1 318 . 1 1 44 44 PRO CB C 13 32.966 0.02 . 1 . . . . 44 PRO CB . 6925 1 319 . 1 1 45 45 VAL H H 1 8.287 0.005 . 1 . . . . 45 VAL HN . 6925 1 320 . 1 1 45 45 VAL HA H 1 4.996 0.005 . 1 . . . . 45 VAL HA . 6925 1 321 . 1 1 45 45 VAL HB H 1 1.918 0.005 . 1 . . . . 45 VAL HB . 6925 1 322 . 1 1 45 45 VAL C C 13 176.733 0.02 . 1 . . . . 45 VAL C . 6925 1 323 . 1 1 45 45 VAL CA C 13 60.722 0.02 . 1 . . . . 45 VAL CA . 6925 1 324 . 1 1 45 45 VAL CB C 13 32.274 0.02 . 1 . . . . 45 VAL CB . 6925 1 325 . 1 1 45 45 VAL N N 15 120.195 0.02 . 1 . . . . 45 VAL N . 6925 1 326 . 1 1 46 46 THR H H 1 9.161 0.005 . 1 . . . . 46 THR HN . 6925 1 327 . 1 1 46 46 THR HA H 1 4.728 0.005 . 1 . . . . 46 THR HA . 6925 1 328 . 1 1 46 46 THR HB H 1 4.408 0.005 . 1 . . . . 46 THR HB . 6925 1 329 . 1 1 46 46 THR C C 13 173.355 0.02 . 1 . . . . 46 THR C . 6925 1 330 . 1 1 46 46 THR CA C 13 59.601 0.02 . 1 . . . . 46 THR CA . 6925 1 331 . 1 1 46 46 THR CB C 13 71.234 0.02 . 1 . . . . 46 THR CB . 6925 1 332 . 1 1 46 46 THR N N 15 118.898 0.02 . 1 . . . . 46 THR N . 6925 1 333 . 1 1 47 47 SER H H 1 8.873 0.005 . 1 . . . . 47 SER HN . 6925 1 334 . 1 1 47 47 SER HA H 1 4.593 0.005 . 1 . . . . 47 SER HA . 6925 1 335 . 1 1 47 47 SER HB2 H 1 3.957 0.005 . 1 . . . . 47 SER HB1 . 6925 1 336 . 1 1 47 47 SER HB3 H 1 3.957 0.005 . 1 . . . . 47 SER HB2 . 6925 1 337 . 1 1 47 47 SER C C 13 175.550 0.02 . 1 . . . . 47 SER C . 6925 1 338 . 1 1 47 47 SER CA C 13 59.009 0.02 . 1 . . . . 47 SER CA . 6925 1 339 . 1 1 47 47 SER CB C 13 63.823 0.02 . 1 . . . . 47 SER CB . 6925 1 340 . 1 1 47 47 SER N N 15 116.310 0.02 . 1 . . . . 47 SER N . 6925 1 341 . 1 1 48 48 GLY H H 1 8.516 0.005 . 1 . . . . 48 GLY HN . 6925 1 342 . 1 1 48 48 GLY HA2 H 1 3.993 0.005 . 1 . . . . 48 GLY HA1 . 6925 1 343 . 1 1 48 48 GLY HA3 H 1 3.993 0.005 . 1 . . . . 48 GLY HA2 . 6925 1 344 . 1 1 48 48 GLY C C 13 173.955 0.02 . 1 . . . . 48 GLY C . 6925 1 345 . 1 1 48 48 GLY CA C 13 45.350 0.02 . 1 . . . . 48 GLY CA . 6925 1 346 . 1 1 48 48 GLY N N 15 110.208 0.02 . 1 . . . . 48 GLY N . 6925 1 347 . 1 1 49 49 GLY H H 1 8.222 0.005 . 1 . . . . 49 GLY HN . 6925 1 348 . 1 1 49 49 GLY HA2 H 1 3.880 0.005 . 1 . . . . 49 GLY HA1 . 6925 1 349 . 1 1 49 49 GLY HA3 H 1 3.880 0.005 . 1 . . . . 49 GLY HA2 . 6925 1 350 . 1 1 49 49 GLY CA C 13 45.291 0.02 . 1 . . . . 49 GLY CA . 6925 1 351 . 1 1 49 49 GLY N N 15 108.567 0.02 . 1 . . . . 49 GLY N . 6925 1 352 . 1 1 50 50 ASN H H 1 8.337 0.005 . 1 . . . . 50 ASN HN . 6925 1 353 . 1 1 50 50 ASN HA H 1 4.571 0.005 . 1 . . . . 50 ASN HA . 6925 1 354 . 1 1 50 50 ASN HB2 H 1 2.725 0.005 . 2 . . . . 50 ASN HB1 . 6925 1 355 . 1 1 50 50 ASN HB3 H 1 2.645 0.005 . 2 . . . . 50 ASN HB2 . 6925 1 356 . 1 1 50 50 ASN C C 13 175.261 0.02 . 1 . . . . 50 ASN C . 6925 1 357 . 1 1 50 50 ASN CA C 13 53.658 0.02 . 1 . . . . 50 ASN CA . 6925 1 358 . 1 1 50 50 ASN CB C 13 38.489 0.02 . 1 . . . . 50 ASN CB . 6925 1 359 . 1 1 50 50 ASN N N 15 118.765 0.02 . 1 . . . . 50 ASN N . 6925 1 360 . 1 1 51 51 PHE H H 1 8.154 0.005 . 1 . . . . 51 PHE HN . 6925 1 361 . 1 1 51 51 PHE HA H 1 4.567 0.005 . 1 . . . . 51 PHE HA . 6925 1 362 . 1 1 51 51 PHE HB2 H 1 3.082 0.005 . 2 . . . . 51 PHE HB1 . 6925 1 363 . 1 1 51 51 PHE HB3 H 1 3.000 0.005 . 2 . . . . 51 PHE HB2 . 6925 1 364 . 1 1 51 51 PHE C C 13 175.768 0.02 . 1 . . . . 51 PHE C . 6925 1 365 . 1 1 51 51 PHE CA C 13 57.802 0.02 . 1 . . . . 51 PHE CA . 6925 1 366 . 1 1 51 51 PHE CB C 13 38.855 0.02 . 1 . . . . 51 PHE CB . 6925 1 367 . 1 1 51 51 PHE N N 15 120.667 0.02 . 1 . . . . 51 PHE N . 6925 1 368 . 1 1 52 52 ALA H H 1 8.084 0.005 . 1 . . . . 52 ALA HN . 6925 1 369 . 1 1 52 52 ALA HA H 1 4.106 0.005 . 1 . . . . 52 ALA HA . 6925 1 370 . 1 1 52 52 ALA HB1 H 1 1.358 0.005 . 1 . . . . 52 ALA HB . 6925 1 371 . 1 1 52 52 ALA HB2 H 1 1.358 0.005 . 1 . . . . 52 ALA HB . 6925 1 372 . 1 1 52 52 ALA HB3 H 1 1.358 0.005 . 1 . . . . 52 ALA HB . 6925 1 373 . 1 1 52 52 ALA C C 13 178.726 0.02 . 1 . . . . 52 ALA C . 6925 1 374 . 1 1 52 52 ALA CA C 13 53.916 0.02 . 1 . . . . 52 ALA CA . 6925 1 375 . 1 1 52 52 ALA CB C 13 18.863 0.02 . 1 . . . . 52 ALA CB . 6925 1 376 . 1 1 52 52 ALA N N 15 124.005 0.02 . 1 . . . . 52 ALA N . 6925 1 377 . 1 1 53 53 ARG H H 1 8.203 0.005 . 1 . . . . 53 ARG HN . 6925 1 378 . 1 1 53 53 ARG HA H 1 4.215 0.005 . 1 . . . . 53 ARG HA . 6925 1 379 . 1 1 53 53 ARG HB2 H 1 1.860 0.005 . 2 . . . . 53 ARG HB1 . 6925 1 380 . 1 1 53 53 ARG HB3 H 1 1.795 0.005 . 2 . . . . 53 ARG HB2 . 6925 1 381 . 1 1 53 53 ARG C C 13 177.077 0.02 . 1 . . . . 53 ARG C . 6925 1 382 . 1 1 53 53 ARG CA C 13 57.613 0.02 . 1 . . . . 53 ARG CA . 6925 1 383 . 1 1 53 53 ARG CB C 13 30.535 0.02 . 1 . . . . 53 ARG CB . 6925 1 384 . 1 1 53 53 ARG N N 15 117.080 0.02 . 1 . . . . 53 ARG N . 6925 1 385 . 1 1 54 54 THR H H 1 7.714 0.005 . 1 . . . . 54 THR HN . 6925 1 386 . 1 1 54 54 THR HA H 1 4.355 0.005 . 1 . . . . 54 THR HA . 6925 1 387 . 1 1 54 54 THR HB H 1 4.358 0.005 . 1 . . . . 54 THR HB . 6925 1 388 . 1 1 54 54 THR C C 13 175.154 0.02 . 1 . . . . 54 THR C . 6925 1 389 . 1 1 54 54 THR CA C 13 61.627 0.02 . 1 . . . . 54 THR CA . 6925 1 390 . 1 1 54 54 THR CB C 13 68.893 0.02 . 1 . . . . 54 THR CB . 6925 1 391 . 1 1 54 54 THR N N 15 110.108 0.02 . 1 . . . . 54 THR N . 6925 1 392 . 1 1 55 55 ALA H H 1 7.910 0.005 . 1 . . . . 55 ALA HN . 6925 1 393 . 1 1 55 55 ALA HA H 1 4.148 0.005 . 1 . . . . 55 ALA HA . 6925 1 394 . 1 1 55 55 ALA HB1 H 1 1.356 0.005 . 1 . . . . 55 ALA HB . 6925 1 395 . 1 1 55 55 ALA HB2 H 1 1.356 0.005 . 1 . . . . 55 ALA HB . 6925 1 396 . 1 1 55 55 ALA HB3 H 1 1.356 0.005 . 1 . . . . 55 ALA HB . 6925 1 397 . 1 1 55 55 ALA C C 13 178.392 0.02 . 1 . . . . 55 ALA C . 6925 1 398 . 1 1 55 55 ALA CA C 13 54.064 0.02 . 1 . . . . 55 ALA CA . 6925 1 399 . 1 1 55 55 ALA CB C 13 18.986 0.02 . 1 . . . . 55 ALA CB . 6925 1 400 . 1 1 55 55 ALA N N 15 126.068 0.02 . 1 . . . . 55 ALA N . 6925 1 401 . 1 1 56 56 GLY H H 1 8.345 0.005 . 1 . . . . 56 GLY HN . 6925 1 402 . 1 1 56 56 GLY HA2 H 1 3.751 0.005 . 1 . . . . 56 GLY HA1 . 6925 1 403 . 1 1 56 56 GLY HA3 H 1 3.751 0.005 . 1 . . . . 56 GLY HA2 . 6925 1 404 . 1 1 56 56 GLY C C 13 174.944 0.02 . 1 . . . . 56 GLY C . 6925 1 405 . 1 1 56 56 GLY CA C 13 45.908 0.02 . 1 . . . . 56 GLY CA . 6925 1 406 . 1 1 56 56 GLY N N 15 105.816 0.02 . 1 . . . . 56 GLY N . 6925 1 407 . 1 1 57 57 PHE H H 1 8.100 0.005 . 1 . . . . 57 PHE HN . 6925 1 408 . 1 1 57 57 PHE HA H 1 4.498 0.005 . 1 . . . . 57 PHE HA . 6925 1 409 . 1 1 57 57 PHE HB2 H 1 3.494 0.005 . 2 . . . . 57 PHE HB1 . 6925 1 410 . 1 1 57 57 PHE HB3 H 1 2.754 0.005 . 2 . . . . 57 PHE HB2 . 6925 1 411 . 1 1 57 57 PHE C C 13 173.047 0.02 . 1 . . . . 57 PHE C . 6925 1 412 . 1 1 57 57 PHE CA C 13 57.861 0.02 . 1 . . . . 57 PHE CA . 6925 1 413 . 1 1 57 57 PHE CB C 13 40.440 0.02 . 1 . . . . 57 PHE CB . 6925 1 414 . 1 1 57 57 PHE N N 15 117.799 0.02 . 1 . . . . 57 PHE N . 6925 1 415 . 1 1 58 58 ALA H H 1 7.628 0.005 . 1 . . . . 58 ALA HN . 6925 1 416 . 1 1 58 58 ALA HA H 1 5.331 0.005 . 1 . . . . 58 ALA HA . 6925 1 417 . 1 1 58 58 ALA HB1 H 1 1.231 0.005 . 1 . . . . 58 ALA HB . 6925 1 418 . 1 1 58 58 ALA HB2 H 1 1.231 0.005 . 1 . . . . 58 ALA HB . 6925 1 419 . 1 1 58 58 ALA HB3 H 1 1.231 0.005 . 1 . . . . 58 ALA HB . 6925 1 420 . 1 1 58 58 ALA C C 13 177.155 0.02 . 1 . . . . 58 ALA C . 6925 1 421 . 1 1 58 58 ALA CA C 13 50.914 0.02 . 1 . . . . 58 ALA CA . 6925 1 422 . 1 1 58 58 ALA CB C 13 20.701 0.02 . 1 . . . . 58 ALA CB . 6925 1 423 . 1 1 58 58 ALA N N 15 122.714 0.02 . 1 . . . . 58 ALA N . 6925 1 424 . 1 1 59 59 VAL H H 1 8.301 0.005 . 1 . . . . 59 VAL HN . 6925 1 425 . 1 1 59 59 VAL HA H 1 4.283 0.005 . 1 . . . . 59 VAL HA . 6925 1 426 . 1 1 59 59 VAL HB H 1 1.688 0.005 . 1 . . . . 59 VAL HB . 6925 1 427 . 1 1 59 59 VAL C C 13 175.300 0.02 . 1 . . . . 59 VAL C . 6925 1 428 . 1 1 59 59 VAL CA C 13 61.250 0.02 . 1 . . . . 59 VAL CA . 6925 1 429 . 1 1 59 59 VAL CB C 13 34.877 0.02 . 1 . . . . 59 VAL CB . 6925 1 430 . 1 1 59 59 VAL N N 15 122.388 0.02 . 1 . . . . 59 VAL N . 6925 1 431 . 1 1 60 60 SER H H 1 8.945 0.005 . 1 . . . . 60 SER HN . 6925 1 432 . 1 1 60 60 SER HA H 1 4.451 0.005 . 1 . . . . 60 SER HA . 6925 1 433 . 1 1 60 60 SER HB2 H 1 3.889 0.005 . 2 . . . . 60 SER HB1 . 6925 1 434 . 1 1 60 60 SER HB3 H 1 3.834 0.005 . 2 . . . . 60 SER HB2 . 6925 1 435 . 1 1 60 60 SER C C 13 175.100 0.02 . 1 . . . . 60 SER C . 6925 1 436 . 1 1 60 60 SER CA C 13 59.193 0.02 . 1 . . . . 60 SER CA . 6925 1 437 . 1 1 60 60 SER CB C 13 63.612 0.02 . 1 . . . . 60 SER CB . 6925 1 438 . 1 1 60 60 SER N N 15 122.294 0.02 . 1 . . . . 60 SER N . 6925 1 439 . 1 1 61 61 LEU H H 1 8.567 0.005 . 1 . . . . 61 LEU HN . 6925 1 440 . 1 1 61 61 LEU HA H 1 4.478 0.005 . 1 . . . . 61 LEU HA . 6925 1 441 . 1 1 61 61 LEU HB2 H 1 1.582 0.005 . 2 . . . . 61 LEU HB1 . 6925 1 442 . 1 1 61 61 LEU C C 13 177.132 0.02 . 1 . . . . 61 LEU C . 6925 1 443 . 1 1 61 61 LEU CA C 13 54.008 0.02 . 1 . . . . 61 LEU CA . 6925 1 444 . 1 1 61 61 LEU CB C 13 41.463 0.02 . 1 . . . . 61 LEU CB . 6925 1 445 . 1 1 61 61 LEU N N 15 123.789 0.02 . 1 . . . . 61 LEU N . 6925 1 446 . 1 1 62 62 ASP H H 1 8.134 0.005 . 1 . . . . 62 ASP HN . 6925 1 447 . 1 1 62 62 ASP HA H 1 4.451 0.005 . 1 . . . . 62 ASP HA . 6925 1 448 . 1 1 62 62 ASP HB2 H 1 2.598 0.005 . 2 . . . . 62 ASP HB1 . 6925 1 449 . 1 1 62 62 ASP HB3 H 1 2.528 0.005 . 2 . . . . 62 ASP HB2 . 6925 1 450 . 1 1 62 62 ASP C C 13 177.659 0.02 . 1 . . . . 62 ASP C . 6925 1 451 . 1 1 62 62 ASP CA C 13 56.275 0.02 . 1 . . . . 62 ASP CA . 6925 1 452 . 1 1 62 62 ASP CB C 13 40.569 0.02 . 1 . . . . 62 ASP CB . 6925 1 453 . 1 1 62 62 ASP N N 15 121.806 0.02 . 1 . . . . 62 ASP N . 6925 1 454 . 1 1 63 63 GLY H H 1 8.749 0.005 . 1 . . . . 63 GLY HN . 6925 1 455 . 1 1 63 63 GLY HA2 H 1 4.060 0.005 . 2 . . . . 63 GLY HA1 . 6925 1 456 . 1 1 63 63 GLY HA3 H 1 3.907 0.005 . 2 . . . . 63 GLY HA2 . 6925 1 457 . 1 1 63 63 GLY C C 13 175.496 0.02 . 1 . . . . 63 GLY C . 6925 1 458 . 1 1 63 63 GLY CA C 13 46.162 0.02 . 1 . . . . 63 GLY CA . 6925 1 459 . 1 1 63 63 GLY N N 15 110.868 0.02 . 1 . . . . 63 GLY N . 6925 1 460 . 1 1 64 64 VAL H H 1 7.534 0.005 . 1 . . . . 64 VAL HN . 6925 1 461 . 1 1 64 64 VAL HA H 1 4.266 0.005 . 1 . . . . 64 VAL HA . 6925 1 462 . 1 1 64 64 VAL HB H 1 2.346 0.005 . 1 . . . . 64 VAL HB . 6925 1 463 . 1 1 64 64 VAL C C 13 176.457 0.02 . 1 . . . . 64 VAL C . 6925 1 464 . 1 1 64 64 VAL CA C 13 62.160 0.02 . 1 . . . . 64 VAL CA . 6925 1 465 . 1 1 64 64 VAL CB C 13 31.816 0.02 . 1 . . . . 64 VAL CB . 6925 1 466 . 1 1 64 64 VAL N N 15 114.586 0.02 . 1 . . . . 64 VAL N . 6925 1 467 . 1 1 65 65 GLY H H 1 8.562 0.005 . 1 . . . . 65 GLY HN . 6925 1 468 . 1 1 65 65 GLY HA2 H 1 4.101 0.005 . 2 . . . . 65 GLY HA1 . 6925 1 469 . 1 1 65 65 GLY HA3 H 1 3.820 0.005 . 2 . . . . 65 GLY HA2 . 6925 1 470 . 1 1 65 65 GLY C C 13 174.975 0.02 . 1 . . . . 65 GLY C . 6925 1 471 . 1 1 65 65 GLY CA C 13 46.161 0.02 . 1 . . . . 65 GLY CA . 6925 1 472 . 1 1 65 65 GLY N N 15 109.885 0.02 . 1 . . . . 65 GLY N . 6925 1 473 . 1 1 66 66 ILE H H 1 7.338 0.005 . 1 . . . . 66 ILE HN . 6925 1 474 . 1 1 66 66 ILE HA H 1 4.681 0.005 . 1 . . . . 66 ILE HA . 6925 1 475 . 1 1 66 66 ILE HB H 1 2.388 0.005 . 1 . . . . 66 ILE HB . 6925 1 476 . 1 1 66 66 ILE C C 13 175.173 0.02 . 1 . . . . 66 ILE C . 6925 1 477 . 1 1 66 66 ILE CA C 13 60.023 0.02 . 1 . . . . 66 ILE CA . 6925 1 478 . 1 1 66 66 ILE CB C 13 38.446 0.02 . 1 . . . . 66 ILE CB . 6925 1 479 . 1 1 66 66 ILE N N 15 113.835 0.02 . 1 . . . . 66 ILE N . 6925 1 480 . 1 1 67 67 ARG H H 1 10.441 0.005 . 1 . . . . 67 ARG HN . 6925 1 481 . 1 1 67 67 ARG HA H 1 4.091 0.005 . 1 . . . . 67 ARG HA . 6925 1 482 . 1 1 67 67 ARG HB2 H 1 1.826 0.005 . 2 . . . . 67 ARG HB1 . 6925 1 483 . 1 1 67 67 ARG C C 13 178.755 0.02 . 1 . . . . 67 ARG C . 6925 1 484 . 1 1 67 67 ARG CA C 13 58.560 0.02 . 1 . . . . 67 ARG CA . 6925 1 485 . 1 1 67 67 ARG CB C 13 30.374 0.02 . 1 . . . . 67 ARG CB . 6925 1 486 . 1 1 67 67 ARG N N 15 123.821 0.02 . 1 . . . . 67 ARG N . 6925 1 487 . 1 1 68 68 THR H H 1 9.521 0.005 . 1 . . . . 68 THR HN . 6925 1 488 . 1 1 68 68 THR HA H 1 3.860 0.005 . 1 . . . . 68 THR HA . 6925 1 489 . 1 1 68 68 THR HB H 1 3.744 0.005 . 1 . . . . 68 THR HB . 6925 1 490 . 1 1 68 68 THR C C 13 172.437 0.02 . 1 . . . . 68 THR C . 6925 1 491 . 1 1 68 68 THR CA C 13 65.148 0.02 . 1 . . . . 68 THR CA . 6925 1 492 . 1 1 68 68 THR CB C 13 68.510 0.02 . 1 . . . . 68 THR CB . 6925 1 493 . 1 1 68 68 THR N N 15 121.316 0.02 . 1 . . . . 68 THR N . 6925 1 494 . 1 1 69 69 THR H H 1 7.435 0.005 . 1 . . . . 69 THR HN . 6925 1 495 . 1 1 69 69 THR HA H 1 4.466 0.005 . 1 . . . . 69 THR HA . 6925 1 496 . 1 1 69 69 THR HB H 1 4.343 0.005 . 1 . . . . 69 THR HB . 6925 1 497 . 1 1 69 69 THR C C 13 172.890 0.02 . 1 . . . . 69 THR C . 6925 1 498 . 1 1 69 69 THR CA C 13 59.299 0.02 . 1 . . . . 69 THR CA . 6925 1 499 . 1 1 69 69 THR CB C 13 71.180 0.02 . 1 . . . . 69 THR CB . 6925 1 500 . 1 1 69 69 THR N N 15 114.943 0.02 . 1 . . . . 69 THR N . 6925 1 501 . 1 1 70 70 GLY H H 1 8.270 0.005 . 1 . . . . 70 GLY HN . 6925 1 502 . 1 1 70 70 GLY HA2 H 1 4.666 0.005 . 2 . . . . 70 GLY HA1 . 6925 1 503 . 1 1 70 70 GLY HA3 H 1 3.698 0.005 . 2 . . . . 70 GLY HA2 . 6925 1 504 . 1 1 70 70 GLY C C 13 173.069 0.02 . 1 . . . . 70 GLY C . 6925 1 505 . 1 1 70 70 GLY CA C 13 43.647 0.02 . 1 . . . . 70 GLY CA . 6925 1 506 . 1 1 70 70 GLY N N 15 106.714 0.02 . 1 . . . . 70 GLY N . 6925 1 507 . 1 1 71 71 VAL H H 1 8.969 0.005 . 1 . . . . 71 VAL HN . 6925 1 508 . 1 1 71 71 VAL HA H 1 4.899 0.005 . 1 . . . . 71 VAL HA . 6925 1 509 . 1 1 71 71 VAL HB H 1 1.689 0.005 . 1 . . . . 71 VAL HB . 6925 1 510 . 1 1 71 71 VAL C C 13 174.192 0.02 . 1 . . . . 71 VAL C . 6925 1 511 . 1 1 71 71 VAL CA C 13 58.645 0.02 . 1 . . . . 71 VAL CA . 6925 1 512 . 1 1 71 71 VAL CB C 13 35.156 0.02 . 1 . . . . 71 VAL CB . 6925 1 513 . 1 1 71 71 VAL N N 15 115.500 0.02 . 1 . . . . 71 VAL N . 6925 1 514 . 1 1 72 72 VAL H H 1 9.380 0.005 . 1 . . . . 72 VAL HN . 6925 1 515 . 1 1 72 72 VAL HA H 1 4.072 0.005 . 1 . . . . 72 VAL HA . 6925 1 516 . 1 1 72 72 VAL HB H 1 2.021 0.005 . 1 . . . . 72 VAL HB . 6925 1 517 . 1 1 72 72 VAL C C 13 176.576 0.02 . 1 . . . . 72 VAL C . 6925 1 518 . 1 1 72 72 VAL CA C 13 62.175 0.02 . 1 . . . . 72 VAL CA . 6925 1 519 . 1 1 72 72 VAL CB C 13 32.323 0.02 . 1 . . . . 72 VAL CB . 6925 1 520 . 1 1 72 72 VAL N N 15 123.101 0.02 . 1 . . . . 72 VAL N . 6925 1 521 . 1 1 73 73 ARG H H 1 8.888 0.005 . 1 . . . . 73 ARG HN . 6925 1 522 . 1 1 73 73 ARG HA H 1 4.630 0.005 . 1 . . . . 73 ARG HA . 6925 1 523 . 1 1 73 73 ARG C C 13 175.832 0.02 . 1 . . . . 73 ARG C . 6925 1 524 . 1 1 73 73 ARG CA C 13 53.166 0.02 . 1 . . . . 73 ARG CA . 6925 1 525 . 1 1 73 73 ARG CB C 13 26.902 0.02 . 1 . . . . 73 ARG CB . 6925 1 526 . 1 1 73 73 ARG N N 15 127.173 0.02 . 1 . . . . 73 ARG N . 6925 1 527 . 1 1 74 74 CYS H H 1 8.284 0.005 . 1 . . . . 74 CYS HN . 6925 1 528 . 1 1 74 74 CYS HA H 1 3.998 0.005 . 1 . . . . 74 CYS HA . 6925 1 529 . 1 1 74 74 CYS HB2 H 1 3.395 0.005 . 2 . . . . 74 CYS HB1 . 6925 1 530 . 1 1 74 74 CYS HB3 H 1 2.876 0.005 . 2 . . . . 74 CYS HB2 . 6925 1 531 . 1 1 74 74 CYS C C 13 170.651 0.02 . 1 . . . . 74 CYS C . 6925 1 532 . 1 1 74 74 CYS CA C 13 62.085 0.02 . 1 . . . . 74 CYS CA . 6925 1 533 . 1 1 74 74 CYS CB C 13 27.538 0.02 . 1 . . . . 74 CYS CB . 6925 1 534 . 1 1 74 74 CYS N N 15 122.030 0.02 . 1 . . . . 74 CYS N . 6925 1 535 . 1 1 75 75 ASP H H 1 9.823 0.005 . 1 . . . . 75 ASP HN . 6925 1 536 . 1 1 75 75 ASP HA H 1 4.122 0.005 . 1 . . . . 75 ASP HA . 6925 1 537 . 1 1 75 75 ASP HB2 H 1 2.709 0.005 . 2 . . . . 75 ASP HB1 . 6925 1 538 . 1 1 75 75 ASP HB3 H 1 2.172 0.005 . 2 . . . . 75 ASP HB2 . 6925 1 539 . 1 1 75 75 ASP C C 13 175.311 0.02 . 1 . . . . 75 ASP C . 6925 1 540 . 1 1 75 75 ASP CA C 13 52.981 0.02 . 1 . . . . 75 ASP CA . 6925 1 541 . 1 1 75 75 ASP CB C 13 39.080 0.02 . 1 . . . . 75 ASP CB . 6925 1 542 . 1 1 75 75 ASP N N 15 106.625 0.02 . 1 . . . . 75 ASP N . 6925 1 543 . 1 1 76 76 GLN H H 1 6.986 0.005 . 1 . . . . 76 GLN HN . 6925 1 544 . 1 1 76 76 GLN HA H 1 5.388 0.005 . 1 . . . . 76 GLN HA . 6925 1 545 . 1 1 76 76 GLN HB2 H 1 2.326 0.005 . 2 . . . . 76 GLN HB1 . 6925 1 546 . 1 1 76 76 GLN HB3 H 1 1.490 0.005 . 2 . . . . 76 GLN HB2 . 6925 1 547 . 1 1 76 76 GLN CA C 13 53.946 0.02 . 1 . . . . 76 GLN CA . 6925 1 548 . 1 1 76 76 GLN CB C 13 28.700 0.02 . 1 . . . . 76 GLN CB . 6925 1 549 . 1 1 76 76 GLN N N 15 115.187 0.02 . 1 . . . . 76 GLN N . 6925 1 550 . 1 1 77 77 PRO HA H 1 5.285 0.005 . 1 . . . . 77 PRO HA . 6925 1 551 . 1 1 77 77 PRO HB2 H 1 1.621 0.005 . 2 . . . . 77 PRO HB1 . 6925 1 552 . 1 1 77 77 PRO HB3 H 1 1.325 0.005 . 2 . . . . 77 PRO HB2 . 6925 1 553 . 1 1 77 77 PRO C C 13 178.679 0.02 . 1 . . . . 77 PRO C . 6925 1 554 . 1 1 77 77 PRO CA C 13 62.599 0.02 . 1 . . . . 77 PRO CA . 6925 1 555 . 1 1 77 77 PRO CB C 13 31.532 0.02 . 1 . . . . 77 PRO CB . 6925 1 556 . 1 1 78 78 ARG H H 1 9.366 0.005 . 1 . . . . 78 ARG HN . 6925 1 557 . 1 1 78 78 ARG HA H 1 4.689 0.005 . 1 . . . . 78 ARG HA . 6925 1 558 . 1 1 78 78 ARG HB2 H 1 1.928 0.005 . 2 . . . . 78 ARG HB1 . 6925 1 559 . 1 1 78 78 ARG HB3 H 1 1.773 0.005 . 2 . . . . 78 ARG HB2 . 6925 1 560 . 1 1 78 78 ARG C C 13 173.674 0.02 . 1 . . . . 78 ARG C . 6925 1 561 . 1 1 78 78 ARG CA C 13 57.140 0.02 . 1 . . . . 78 ARG CA . 6925 1 562 . 1 1 78 78 ARG CB C 13 34.319 0.02 . 1 . . . . 78 ARG CB . 6925 1 563 . 1 1 78 78 ARG N N 15 117.832 0.02 . 1 . . . . 78 ARG N . 6925 1 564 . 1 1 79 79 THR H H 1 6.951 0.005 . 1 . . . . 79 THR HN . 6925 1 565 . 1 1 79 79 THR HA H 1 4.990 0.005 . 1 . . . . 79 THR HA . 6925 1 566 . 1 1 79 79 THR HB H 1 3.654 0.005 . 1 . . . . 79 THR HB . 6925 1 567 . 1 1 79 79 THR C C 13 175.404 0.02 . 1 . . . . 79 THR C . 6925 1 568 . 1 1 79 79 THR CA C 13 63.583 0.02 . 1 . . . . 79 THR CA . 6925 1 569 . 1 1 79 79 THR CB C 13 68.886 0.02 . 1 . . . . 79 THR CB . 6925 1 570 . 1 1 79 79 THR N N 15 123.423 0.02 . 1 . . . . 79 THR N . 6925 1 571 . 1 1 80 80 ILE H H 1 8.332 0.005 . 1 . . . . 80 ILE HN . 6925 1 572 . 1 1 80 80 ILE HA H 1 4.949 0.005 . 1 . . . . 80 ILE HA . 6925 1 573 . 1 1 80 80 ILE HB H 1 1.454 0.005 . 1 . . . . 80 ILE HB . 6925 1 574 . 1 1 80 80 ILE C C 13 172.616 0.02 . 1 . . . . 80 ILE C . 6925 1 575 . 1 1 80 80 ILE CA C 13 57.994 0.02 . 1 . . . . 80 ILE CA . 6925 1 576 . 1 1 80 80 ILE CB C 13 43.807 0.02 . 1 . . . . 80 ILE CB . 6925 1 577 . 1 1 80 80 ILE N N 15 121.611 0.02 . 1 . . . . 80 ILE N . 6925 1 578 . 1 1 81 81 ASP H H 1 10.519 0.005 . 1 . . . . 81 ASP HN . 6925 1 579 . 1 1 81 81 ASP HA H 1 4.774 0.005 . 1 . . . . 81 ASP HA . 6925 1 580 . 1 1 81 81 ASP HB2 H 1 2.288 0.005 . 2 . . . . 81 ASP HB1 . 6925 1 581 . 1 1 81 81 ASP HB3 H 1 3.060 0.005 . 2 . . . . 81 ASP HB2 . 6925 1 582 . 1 1 81 81 ASP C C 13 175.443 0.02 . 1 . . . . 81 ASP C . 6925 1 583 . 1 1 81 81 ASP CA C 13 52.608 0.02 . 1 . . . . 81 ASP CA . 6925 1 584 . 1 1 81 81 ASP CB C 13 40.990 0.02 . 1 . . . . 81 ASP CB . 6925 1 585 . 1 1 81 81 ASP N N 15 122.386 0.02 . 1 . . . . 81 ASP N . 6925 1 586 . 1 1 82 82 MET H H 1 6.829 0.005 . 1 . . . . 82 MET HN . 6925 1 587 . 1 1 82 82 MET CA C 13 57.660 0.02 . 1 . . . . 82 MET CA . 6925 1 588 . 1 1 82 82 MET CB C 13 33.663 0.02 . 1 . . . . 82 MET CB . 6925 1 589 . 1 1 82 82 MET N N 15 124.725 0.02 . 1 . . . . 82 MET N . 6925 1 590 . 1 1 83 83 LYS H H 1 8.353 0.005 . 1 . . . . 83 LYS HN . 6925 1 591 . 1 1 83 83 LYS HA H 1 4.308 0.005 . 1 . . . . 83 LYS HA . 6925 1 592 . 1 1 83 83 LYS HB2 H 1 1.915 0.005 . 1 . . . . 83 LYS HB1 . 6925 1 593 . 1 1 83 83 LYS HB3 H 1 1.915 0.005 . 1 . . . . 83 LYS HB2 . 6925 1 594 . 1 1 83 83 LYS C C 13 180.598 0.02 . 1 . . . . 83 LYS C . 6925 1 595 . 1 1 83 83 LYS CA C 13 58.566 0.02 . 1 . . . . 83 LYS CA . 6925 1 596 . 1 1 83 83 LYS CB C 13 32.025 0.02 . 1 . . . . 83 LYS CB . 6925 1 597 . 1 1 83 83 LYS N N 15 118.600 0.02 . 1 . . . . 83 LYS N . 6925 1 598 . 1 1 84 84 ALA H H 1 8.237 0.005 . 1 . . . . 84 ALA HN . 6925 1 599 . 1 1 84 84 ALA HA H 1 4.088 0.005 . 1 . . . . 84 ALA HA . 6925 1 600 . 1 1 84 84 ALA HB1 H 1 1.314 0.005 . 1 . . . . 84 ALA HB . 6925 1 601 . 1 1 84 84 ALA HB2 H 1 1.314 0.005 . 1 . . . . 84 ALA HB . 6925 1 602 . 1 1 84 84 ALA HB3 H 1 1.314 0.005 . 1 . . . . 84 ALA HB . 6925 1 603 . 1 1 84 84 ALA C C 13 179.655 0.02 . 1 . . . . 84 ALA C . 6925 1 604 . 1 1 84 84 ALA CA C 13 54.463 0.02 . 1 . . . . 84 ALA CA . 6925 1 605 . 1 1 84 84 ALA CB C 13 18.187 0.02 . 1 . . . . 84 ALA CB . 6925 1 606 . 1 1 84 84 ALA N N 15 123.329 0.02 . 1 . . . . 84 ALA N . 6925 1 607 . 1 1 85 85 ARG H H 1 7.407 0.005 . 1 . . . . 85 ARG HN . 6925 1 608 . 1 1 85 85 ARG HA H 1 4.244 0.005 . 1 . . . . 85 ARG HA . 6925 1 609 . 1 1 85 85 ARG HB2 H 1 2.165 0.005 . 2 . . . . 85 ARG HB1 . 6925 1 610 . 1 1 85 85 ARG HB3 H 1 1.285 0.005 . 2 . . . . 85 ARG HB2 . 6925 1 611 . 1 1 85 85 ARG C C 13 176.683 0.02 . 1 . . . . 85 ARG C . 6925 1 612 . 1 1 85 85 ARG CA C 13 56.400 0.02 . 1 . . . . 85 ARG CA . 6925 1 613 . 1 1 85 85 ARG CB C 13 31.720 0.02 . 1 . . . . 85 ARG CB . 6925 1 614 . 1 1 85 85 ARG N N 15 113.007 0.02 . 1 . . . . 85 ARG N . 6925 1 615 . 1 1 86 86 GLY H H 1 7.864 0.005 . 1 . . . . 86 GLY HN . 6925 1 616 . 1 1 86 86 GLY HA2 H 1 4.029 0.005 . 1 . . . . 86 GLY HA1 . 6925 1 617 . 1 1 86 86 GLY HA3 H 1 4.029 0.005 . 1 . . . . 86 GLY HA2 . 6925 1 618 . 1 1 86 86 GLY C C 13 175.891 0.02 . 1 . . . . 86 GLY C . 6925 1 619 . 1 1 86 86 GLY CA C 13 46.588 0.02 . 1 . . . . 86 GLY CA . 6925 1 620 . 1 1 86 86 GLY N N 15 109.557 0.02 . 1 . . . . 86 GLY N . 6925 1 621 . 1 1 87 87 GLY H H 1 8.317 0.005 . 1 . . . . 87 GLY HN . 6925 1 622 . 1 1 87 87 GLY HA2 H 1 4.701 0.005 . 2 . . . . 87 GLY HA1 . 6925 1 623 . 1 1 87 87 GLY HA3 H 1 3.696 0.005 . 2 . . . . 87 GLY HA2 . 6925 1 624 . 1 1 87 87 GLY C C 13 173.063 0.02 . 1 . . . . 87 GLY C . 6925 1 625 . 1 1 87 87 GLY CA C 13 46.384 0.02 . 1 . . . . 87 GLY CA . 6925 1 626 . 1 1 87 87 GLY N N 15 105.368 0.02 . 1 . . . . 87 GLY N . 6925 1 627 . 1 1 88 88 LYS H H 1 8.467 0.005 . 1 . . . . 88 LYS HN . 6925 1 628 . 1 1 88 88 LYS HA H 1 4.635 0.005 . 1 . . . . 88 LYS HA . 6925 1 629 . 1 1 88 88 LYS HB2 H 1 1.699 0.005 . 2 . . . . 88 LYS HB1 . 6925 1 630 . 1 1 88 88 LYS HB3 H 1 1.630 0.005 . 2 . . . . 88 LYS HB2 . 6925 1 631 . 1 1 88 88 LYS C C 13 174.101 0.02 . 1 . . . . 88 LYS C . 6925 1 632 . 1 1 88 88 LYS CA C 13 54.429 0.02 . 1 . . . . 88 LYS CA . 6925 1 633 . 1 1 88 88 LYS CB C 13 36.178 0.02 . 1 . . . . 88 LYS CB . 6925 1 634 . 1 1 88 88 LYS N N 15 120.947 0.02 . 1 . . . . 88 LYS N . 6925 1 635 . 1 1 89 89 ARG H H 1 7.821 0.005 . 1 . . . . 89 ARG HN . 6925 1 636 . 1 1 89 89 ARG HA H 1 4.602 0.005 . 1 . . . . 89 ARG HA . 6925 1 637 . 1 1 89 89 ARG HB2 H 1 2.406 0.005 . 2 . . . . 89 ARG HB1 . 6925 1 638 . 1 1 89 89 ARG C C 13 175.795 0.02 . 1 . . . . 89 ARG C . 6925 1 639 . 1 1 89 89 ARG CA C 13 57.281 0.02 . 1 . . . . 89 ARG CA . 6925 1 640 . 1 1 89 89 ARG CB C 13 29.925 0.02 . 1 . . . . 89 ARG CB . 6925 1 641 . 1 1 89 89 ARG N N 15 127.825 0.02 . 1 . . . . 89 ARG N . 6925 1 642 . 1 1 90 90 LEU H H 1 9.315 0.005 . 1 . . . . 90 LEU HN . 6925 1 643 . 1 1 90 90 LEU HA H 1 4.532 0.005 . 1 . . . . 90 LEU HA . 6925 1 644 . 1 1 90 90 LEU HB2 H 1 1.509 0.005 . 2 . . . . 90 LEU HB1 . 6925 1 645 . 1 1 90 90 LEU HB3 H 1 1.353 0.005 . 2 . . . . 90 LEU HB2 . 6925 1 646 . 1 1 90 90 LEU C C 13 176.258 0.02 . 1 . . . . 90 LEU C . 6925 1 647 . 1 1 90 90 LEU CA C 13 56.158 0.02 . 1 . . . . 90 LEU CA . 6925 1 648 . 1 1 90 90 LEU CB C 13 44.771 0.02 . 1 . . . . 90 LEU CB . 6925 1 649 . 1 1 90 90 LEU N N 15 126.281 0.02 . 1 . . . . 90 LEU N . 6925 1 650 . 1 1 91 91 GLU H H 1 7.614 0.005 . 1 . . . . 91 GLU HN . 6925 1 651 . 1 1 91 91 GLU HA H 1 4.653 0.005 . 1 . . . . 91 GLU HA . 6925 1 652 . 1 1 91 91 GLU HB2 H 1 2.440 0.005 . 2 . . . . 91 GLU HB1 . 6925 1 653 . 1 1 91 91 GLU HB3 H 1 2.094 0.005 . 2 . . . . 91 GLU HB2 . 6925 1 654 . 1 1 91 91 GLU C C 13 172.812 0.02 . 1 . . . . 91 GLU C . 6925 1 655 . 1 1 91 91 GLU CA C 13 55.331 0.02 . 1 . . . . 91 GLU CA . 6925 1 656 . 1 1 91 91 GLU CB C 13 28.842 0.02 . 1 . . . . 91 GLU CB . 6925 1 657 . 1 1 91 91 GLU N N 15 111.816 0.02 . 1 . . . . 91 GLU N . 6925 1 658 . 1 1 92 92 ARG H H 1 8.321 0.005 . 1 . . . . 92 ARG HN . 6925 1 659 . 1 1 92 92 ARG HA H 1 5.281 0.005 . 1 . . . . 92 ARG HA . 6925 1 660 . 1 1 92 92 ARG HB2 H 1 1.808 0.005 . 2 . . . . 92 ARG HB1 . 6925 1 661 . 1 1 92 92 ARG HB3 H 1 1.663 0.005 . 2 . . . . 92 ARG HB2 . 6925 1 662 . 1 1 92 92 ARG C C 13 175.619 0.02 . 1 . . . . 92 ARG C . 6925 1 663 . 1 1 92 92 ARG CA C 13 55.083 0.02 . 1 . . . . 92 ARG CA . 6925 1 664 . 1 1 92 92 ARG CB C 13 33.582 0.02 . 1 . . . . 92 ARG CB . 6925 1 665 . 1 1 92 92 ARG N N 15 118.035 0.02 . 1 . . . . 92 ARG N . 6925 1 666 . 1 1 93 93 VAL H H 1 8.494 0.005 . 1 . . . . 93 VAL HN . 6925 1 667 . 1 1 93 93 VAL HA H 1 4.656 0.005 . 1 . . . . 93 VAL HA . 6925 1 668 . 1 1 93 93 VAL HB H 1 2.091 0.005 . 1 . . . . 93 VAL HB . 6925 1 669 . 1 1 93 93 VAL CA C 13 58.674 0.02 . 1 . . . . 93 VAL CA . 6925 1 670 . 1 1 93 93 VAL CB C 13 31.339 0.02 . 1 . . . . 93 VAL CB . 6925 1 671 . 1 1 93 93 VAL N N 15 114.767 0.02 . 1 . . . . 93 VAL N . 6925 1 672 . 1 1 94 94 PRO HA H 1 4.635 0.005 . 1 . . . . 94 PRO HA . 6925 1 673 . 1 1 94 94 PRO HB2 H 1 2.598 0.005 . 2 . . . . 94 PRO HB1 . 6925 1 674 . 1 1 94 94 PRO HB3 H 1 1.993 0.005 . 2 . . . . 94 PRO HB2 . 6925 1 675 . 1 1 94 94 PRO C C 13 177.476 0.02 . 1 . . . . 94 PRO C . 6925 1 676 . 1 1 94 94 PRO CA C 13 62.318 0.02 . 1 . . . . 94 PRO CA . 6925 1 677 . 1 1 94 94 PRO CB C 13 32.691 0.02 . 1 . . . . 94 PRO CB . 6925 1 678 . 1 1 95 95 GLU H H 1 9.000 0.005 . 1 . . . . 95 GLU HN . 6925 1 679 . 1 1 95 95 GLU HA H 1 3.932 0.005 . 1 . . . . 95 GLU HA . 6925 1 680 . 1 1 95 95 GLU HB2 H 1 2.092 0.005 . 2 . . . . 95 GLU HB1 . 6925 1 681 . 1 1 95 95 GLU HB3 H 1 2.048 0.005 . 2 . . . . 95 GLU HB2 . 6925 1 682 . 1 1 95 95 GLU C C 13 177.817 0.02 . 1 . . . . 95 GLU C . 6925 1 683 . 1 1 95 95 GLU CA C 13 59.891 0.02 . 1 . . . . 95 GLU CA . 6925 1 684 . 1 1 95 95 GLU CB C 13 29.534 0.02 . 1 . . . . 95 GLU CB . 6925 1 685 . 1 1 95 95 GLU N N 15 123.683 0.02 . 1 . . . . 95 GLU N . 6925 1 686 . 1 1 96 96 THR H H 1 7.968 0.005 . 1 . . . . 96 THR HN . 6925 1 687 . 1 1 96 96 THR HA H 1 4.038 0.005 . 1 . . . . 96 THR HA . 6925 1 688 . 1 1 96 96 THR HB H 1 4.179 0.005 . 1 . . . . 96 THR HB . 6925 1 689 . 1 1 96 96 THR C C 13 177.606 0.02 . 1 . . . . 96 THR C . 6925 1 690 . 1 1 96 96 THR CA C 13 64.922 0.02 . 1 . . . . 96 THR CA . 6925 1 691 . 1 1 96 96 THR CB C 13 67.894 0.02 . 1 . . . . 96 THR CB . 6925 1 692 . 1 1 96 96 THR N N 15 108.695 0.02 . 1 . . . . 96 THR N . 6925 1 693 . 1 1 97 97 ILE H H 1 6.840 0.005 . 1 . . . . 97 ILE HN . 6925 1 694 . 1 1 97 97 ILE HA H 1 3.976 0.005 . 1 . . . . 97 ILE HA . 6925 1 695 . 1 1 97 97 ILE HB H 1 2.127 0.005 . 1 . . . . 97 ILE HB . 6925 1 696 . 1 1 97 97 ILE C C 13 177.760 0.02 . 1 . . . . 97 ILE C . 6925 1 697 . 1 1 97 97 ILE CA C 13 60.927 0.02 . 1 . . . . 97 ILE CA . 6925 1 698 . 1 1 97 97 ILE CB C 13 35.931 0.02 . 1 . . . . 97 ILE CB . 6925 1 699 . 1 1 97 97 ILE N N 15 120.801 0.02 . 1 . . . . 97 ILE N . 6925 1 700 . 1 1 98 98 MET H H 1 7.504 0.005 . 1 . . . . 98 MET HN . 6925 1 701 . 1 1 98 98 MET HA H 1 4.453 0.005 . 1 . . . . 98 MET HA . 6925 1 702 . 1 1 98 98 MET HB2 H 1 2.264 0.005 . 2 . . . . 98 MET HB1 . 6925 1 703 . 1 1 98 98 MET HB3 H 1 1.720 0.005 . 2 . . . . 98 MET HB2 . 6925 1 704 . 1 1 98 98 MET C C 13 178.246 0.02 . 1 . . . . 98 MET C . 6925 1 705 . 1 1 98 98 MET CA C 13 56.723 0.02 . 1 . . . . 98 MET CA . 6925 1 706 . 1 1 98 98 MET CB C 13 32.254 0.02 . 1 . . . . 98 MET CB . 6925 1 707 . 1 1 98 98 MET N N 15 119.777 0.02 . 1 . . . . 98 MET N . 6925 1 708 . 1 1 99 99 ASN H H 1 8.709 0.005 . 1 . . . . 99 ASN HN . 6925 1 709 . 1 1 99 99 ASN HA H 1 4.464 0.005 . 1 . . . . 99 ASN HA . 6925 1 710 . 1 1 99 99 ASN HB2 H 1 2.878 0.005 . 2 . . . . 99 ASN HB1 . 6925 1 711 . 1 1 99 99 ASN HB3 H 1 2.823 0.005 . 2 . . . . 99 ASN HB2 . 6925 1 712 . 1 1 99 99 ASN C C 13 178.851 0.02 . 1 . . . . 99 ASN C . 6925 1 713 . 1 1 99 99 ASN CA C 13 56.157 0.02 . 1 . . . . 99 ASN CA . 6925 1 714 . 1 1 99 99 ASN CB C 13 37.655 0.02 . 1 . . . . 99 ASN CB . 6925 1 715 . 1 1 99 99 ASN N N 15 116.857 0.02 . 1 . . . . 99 ASN N . 6925 1 716 . 1 1 100 100 GLU H H 1 7.533 0.005 . 1 . . . . 100 GLU HN . 6925 1 717 . 1 1 100 100 GLU HA H 1 4.166 0.005 . 1 . . . . 100 GLU HA . 6925 1 718 . 1 1 100 100 GLU HB2 H 1 2.302 0.005 . 2 . . . . 100 GLU HB1 . 6925 1 719 . 1 1 100 100 GLU HB3 H 1 2.145 0.005 . 2 . . . . 100 GLU HB2 . 6925 1 720 . 1 1 100 100 GLU C C 13 179.106 0.02 . 1 . . . . 100 GLU C . 6925 1 721 . 1 1 100 100 GLU CA C 13 59.449 0.02 . 1 . . . . 100 GLU CA . 6925 1 722 . 1 1 100 100 GLU CB C 13 29.730 0.02 . 1 . . . . 100 GLU CB . 6925 1 723 . 1 1 100 100 GLU N N 15 121.833 0.02 . 1 . . . . 100 GLU N . 6925 1 724 . 1 1 101 101 VAL H H 1 8.211 0.005 . 1 . . . . 101 VAL HN . 6925 1 725 . 1 1 101 101 VAL HA H 1 3.897 0.005 . 1 . . . . 101 VAL HA . 6925 1 726 . 1 1 101 101 VAL HB H 1 2.428 0.005 . 1 . . . . 101 VAL HB . 6925 1 727 . 1 1 101 101 VAL C C 13 177.849 0.02 . 1 . . . . 101 VAL C . 6925 1 728 . 1 1 101 101 VAL CA C 13 66.025 0.02 . 1 . . . . 101 VAL CA . 6925 1 729 . 1 1 101 101 VAL CB C 13 31.989 0.02 . 1 . . . . 101 VAL CB . 6925 1 730 . 1 1 101 101 VAL N N 15 121.198 0.02 . 1 . . . . 101 VAL N . 6925 1 731 . 1 1 102 102 LEU H H 1 8.598 0.005 . 1 . . . . 102 LEU HN . 6925 1 732 . 1 1 102 102 LEU HA H 1 4.049 0.005 . 1 . . . . 102 LEU HA . 6925 1 733 . 1 1 102 102 LEU HB2 H 1 1.910 0.005 . 2 . . . . 102 LEU HB1 . 6925 1 734 . 1 1 102 102 LEU HB3 H 1 1.593 0.005 . 2 . . . . 102 LEU HB2 . 6925 1 735 . 1 1 102 102 LEU C C 13 180.090 0.02 . 1 . . . . 102 LEU C . 6925 1 736 . 1 1 102 102 LEU CA C 13 58.189 0.02 . 1 . . . . 102 LEU CA . 6925 1 737 . 1 1 102 102 LEU CB C 13 40.565 0.02 . 1 . . . . 102 LEU CB . 6925 1 738 . 1 1 102 102 LEU N N 15 118.431 0.02 . 1 . . . . 102 LEU N . 6925 1 739 . 1 1 103 103 GLY H H 1 8.093 0.005 . 1 . . . . 103 GLY HN . 6925 1 740 . 1 1 103 103 GLY HA2 H 1 4.013 0.005 . 2 . . . . 103 GLY HA1 . 6925 1 741 . 1 1 103 103 GLY HA3 H 1 3.860 0.005 . 2 . . . . 103 GLY HA2 . 6925 1 742 . 1 1 103 103 GLY C C 13 177.143 0.02 . 1 . . . . 103 GLY C . 6925 1 743 . 1 1 103 103 GLY CA C 13 47.131 0.02 . 1 . . . . 103 GLY CA . 6925 1 744 . 1 1 103 103 GLY N N 15 106.959 0.02 . 1 . . . . 103 GLY N . 6925 1 745 . 1 1 104 104 ARG H H 1 8.003 0.005 . 1 . . . . 104 ARG HN . 6925 1 746 . 1 1 104 104 ARG HA H 1 4.192 0.005 . 1 . . . . 104 ARG HA . 6925 1 747 . 1 1 104 104 ARG HB2 H 1 2.261 0.005 . 2 . . . . 104 ARG HB1 . 6925 1 748 . 1 1 104 104 ARG HB3 H 1 1.816 0.005 . 2 . . . . 104 ARG HB2 . 6925 1 749 . 1 1 104 104 ARG C C 13 180.060 0.02 . 1 . . . . 104 ARG C . 6925 1 750 . 1 1 104 104 ARG CA C 13 58.141 0.02 . 1 . . . . 104 ARG CA . 6925 1 751 . 1 1 104 104 ARG CB C 13 29.796 0.02 . 1 . . . . 104 ARG CB . 6925 1 752 . 1 1 104 104 ARG N N 15 121.133 0.02 . 1 . . . . 104 ARG N . 6925 1 753 . 1 1 105 105 LEU H H 1 8.416 0.005 . 1 . . . . 105 LEU HN . 6925 1 754 . 1 1 105 105 LEU HA H 1 4.036 0.005 . 1 . . . . 105 LEU HA . 6925 1 755 . 1 1 105 105 LEU HB2 H 1 2.014 0.005 . 2 . . . . 105 LEU HB1 . 6925 1 756 . 1 1 105 105 LEU HB3 H 1 1.383 0.005 . 2 . . . . 105 LEU HB2 . 6925 1 757 . 1 1 105 105 LEU C C 13 178.798 0.02 . 1 . . . . 105 LEU C . 6925 1 758 . 1 1 105 105 LEU CA C 13 58.023 0.02 . 1 . . . . 105 LEU CA . 6925 1 759 . 1 1 105 105 LEU CB C 13 42.249 0.02 . 1 . . . . 105 LEU CB . 6925 1 760 . 1 1 105 105 LEU N N 15 120.113 0.02 . 1 . . . . 105 LEU N . 6925 1 761 . 1 1 106 106 SER H H 1 8.360 0.005 . 1 . . . . 106 SER HN . 6925 1 762 . 1 1 106 106 SER HA H 1 4.023 0.005 . 1 . . . . 106 SER HA . 6925 1 763 . 1 1 106 106 SER C C 13 176.660 0.02 . 1 . . . . 106 SER C . 6925 1 764 . 1 1 106 106 SER CA C 13 61.952 0.02 . 1 . . . . 106 SER CA . 6925 1 765 . 1 1 106 106 SER CB C 13 62.726 0.02 . 1 . . . . 106 SER CB . 6925 1 766 . 1 1 106 106 SER N N 15 113.236 0.02 . 1 . . . . 106 SER N . 6925 1 767 . 1 1 107 107 THR H H 1 7.438 0.005 . 1 . . . . 107 THR HN . 6925 1 768 . 1 1 107 107 THR HA H 1 4.395 0.005 . 1 . . . . 107 THR HA . 6925 1 769 . 1 1 107 107 THR HB H 1 4.179 0.005 . 1 . . . . 107 THR HB . 6925 1 770 . 1 1 107 107 THR C C 13 176.317 0.02 . 1 . . . . 107 THR C . 6925 1 771 . 1 1 107 107 THR CA C 13 65.306 0.02 . 1 . . . . 107 THR CA . 6925 1 772 . 1 1 107 107 THR CB C 13 69.309 0.02 . 1 . . . . 107 THR CB . 6925 1 773 . 1 1 107 107 THR N N 15 112.704 0.02 . 1 . . . . 107 THR N . 6925 1 774 . 1 1 108 108 ILE H H 1 7.325 0.005 . 1 . . . . 108 ILE HN . 6925 1 775 . 1 1 108 108 ILE HA H 1 4.141 0.005 . 1 . . . . 108 ILE HA . 6925 1 776 . 1 1 108 108 ILE HB H 1 1.585 0.005 . 1 . . . . 108 ILE HB . 6925 1 777 . 1 1 108 108 ILE C C 13 174.733 0.02 . 1 . . . . 108 ILE C . 6925 1 778 . 1 1 108 108 ILE CA C 13 63.143 0.02 . 1 . . . . 108 ILE CA . 6925 1 779 . 1 1 108 108 ILE CB C 13 38.755 0.02 . 1 . . . . 108 ILE CB . 6925 1 780 . 1 1 108 108 ILE N N 15 115.392 0.02 . 1 . . . . 108 ILE N . 6925 1 781 . 1 1 109 109 LEU H H 1 7.205 0.005 . 1 . . . . 109 LEU HN . 6925 1 782 . 1 1 109 109 LEU HA H 1 4.239 0.005 . 1 . . . . 109 LEU HA . 6925 1 783 . 1 1 109 109 LEU HB2 H 1 1.596 0.005 . 2 . . . . 109 LEU HB1 . 6925 1 784 . 1 1 109 109 LEU HB3 H 1 1.512 0.005 . 2 . . . . 109 LEU HB2 . 6925 1 785 . 1 1 109 109 LEU C C 13 174.434 0.02 . 1 . . . . 109 LEU C . 6925 1 786 . 1 1 109 109 LEU CA C 13 54.090 0.02 . 1 . . . . 109 LEU CA . 6925 1 787 . 1 1 109 109 LEU CB C 13 42.701 0.02 . 1 . . . . 109 LEU CB . 6925 1 788 . 1 1 109 109 LEU N N 15 116.137 0.02 . 1 . . . . 109 LEU N . 6925 1 789 . 1 1 110 110 THR H H 1 6.932 0.005 . 1 . . . . 110 THR HN . 6925 1 790 . 1 1 110 110 THR HA H 1 4.244 0.005 . 1 . . . . 110 THR HA . 6925 1 791 . 1 1 110 110 THR HB H 1 4.241 0.005 . 1 . . . . 110 THR HB . 6925 1 792 . 1 1 110 110 THR CA C 13 63.117 0.02 . 1 . . . . 110 THR CA . 6925 1 793 . 1 1 110 110 THR CB C 13 71.366 0.02 . 1 . . . . 110 THR CB . 6925 1 794 . 1 1 110 110 THR N N 15 112.257 0.02 . 1 . . . . 110 THR N . 6925 1 stop_ save_