data_5289 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5289 _Entry.Title ; Investigation of Penetratin Peptides. Part 1: The Environment Dependent Conformational Properties of Penetratin and two of its Derivatives ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-02-15 _Entry.Accession_date 2002-02-15 _Entry.Last_release_date 2002-03-29 _Entry.Original_release_date 2002-03-29 _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 Andras Czajlik . . . 5289 2 Eszter Mesko . . . 5289 3 Botond Penke . . . 5289 4 Andras Perczel . . . 5289 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5289 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 294 5289 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 . . 2002-03-29 2002-02-15 original author . 5289 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5290 'Double mutant [W6F,W14F]' 5289 BMRB 5291 'penetratin 12' 5289 PDB 1KZ0 'BMRB Entry Tracking System' 5289 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5289 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21986604 _Citation.DOI . _Citation.PubMed_ID 11991205 _Citation.Full_citation . _Citation.Title ; Investigation of Penetratin Peptides. Part 1: The Environment Dependent Conformational Properties of Penetratin and two of its Derivatives ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Pept. Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue 4 _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 151 _Citation.Page_last 171 _Citation.Year 2002 _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 Andras Czajlik . . . 5289 1 2 Eszter Mesko . . . 5289 1 3 Botond Penke . . . 5289 1 4 Andras Perczel . . . 5289 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'helical structure' 5289 1 'trifluoro-ethanol/water mixtures' 5289 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_penetratin_pAntp-(43-58) _Assembly.Sf_category assembly _Assembly.Sf_framecode system_penetratin_pAntp-(43-58) _Assembly.Entry_ID 5289 _Assembly.ID 1 _Assembly.Name 'third helix of Antennapedia homeodomain' _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 'not present' _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 5289 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 'third helix of Antennapedia homeodomain' 1 $penetratin . . . native . . . . . 5289 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1KZ0 . . . . . . 5289 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'penetratin, pAntp-(43-58)' abbreviation 5289 1 'third helix of Antennapedia homeodomain' system 5289 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Translocation through biological membranes.' 5289 1 ; Transportation of covalently linked oligonucleotides and oligopeptides through biological membranes. ; 5289 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_penetratin _Entity.Sf_category entity _Entity.Sf_framecode penetratin _Entity.Entry_ID 5289 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'third helix of Antennapedia homeodomain' _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 RQIKIWFQNRRMKWKK _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 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2246 _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 BMRB 1037 . antennepedia . . . . . 100.00 68 100.00 100.00 2.51e-01 . . . . 5289 1 2 no BMRB 4104 . "Antennapedia Homeodomain" . . . . . 100.00 68 100.00 100.00 2.21e-01 . . . . 5289 1 3 no BMRB 5542 . Penetratin . . . . . 100.00 16 100.00 100.00 1.03e+00 . . . . 5289 1 4 no PDB 1AHD . "Determination Of The Nmr Solution Structure Of An Antennapedia Homeodomain-Dna Complex" . . . . . 100.00 68 100.00 100.00 2.17e-01 . . . . 5289 1 5 no PDB 1HOM . "Determination Of The Three-Dimensional Structure Of The Antennapedia Homeodomain From Drosophila In Solution By 1h Nuclear Magn" . . . . . 100.00 68 100.00 100.00 2.51e-01 . . . . 5289 1 6 no PDB 1KZ0 . "Solution Structure Of The Third Helix Of Antennapedia Homeodomain" . . . . . 100.00 16 100.00 100.00 1.03e+00 . . . . 5289 1 7 no PDB 1OMQ . "Structure Of Penetratin In Bicellar Solution" . . . . . 93.75 16 100.00 100.00 3.91e+00 . . . . 5289 1 8 no PDB 1SAN . "The Des(1-6)antennapedia Homeodomain: Comparison Of The Nmr Solution Structure And The Dna Binding Affinity With The Intact Ant" . . . . . 100.00 62 100.00 100.00 1.85e-01 . . . . 5289 1 9 no PDB 2HOA . "Structure Determination Of The Antp(C39->s) Homeodomain From Nuclear Magnetic Resonance Data In Solution Using A Novel Strategy" . . . . . 100.00 68 100.00 100.00 2.17e-01 . . . . 5289 1 10 no PDB 2NZZ . "Nmr Structure Analysis Of The Penetratin Conjugated Gas (374-394) Peptide" . . . . . 100.00 37 100.00 100.00 4.94e-01 . . . . 5289 1 11 no PDB 2O00 . "Nmr Structure Analysis Of The Penetratin Conjugated Gas (374-394) Peptide" . . . . . 100.00 37 100.00 100.00 4.94e-01 . . . . 5289 1 12 no PDB 2R5Y . "Structure Of ScrEXD COMPLEX BOUND TO A CONSENSUS HOX-Exd Site" . . . . . 100.00 88 100.00 100.00 1.98e-01 . . . . 5289 1 13 no PDB 2R5Z . "Structure Of ScrEXD COMPLEX BOUND TO A DNA SEQUENCE Derived From The Fkh Gene" . . . . . 100.00 88 100.00 100.00 1.98e-01 . . . . 5289 1 14 no PDB 9ANT . "Antennapedia Homeodomain-Dna Complex" . . . . . 100.00 62 100.00 100.00 2.25e-01 . . . . 5289 1 15 no DBJ BAA01947 . "Hox 3.5 [Mus musculus domesticus]" . . . . . 100.00 264 100.00 100.00 3.88e-03 . . . . 5289 1 16 no DBJ BAA04087 . "Antennapedia homologue protein [Bombyx mori]" . . . . . 100.00 259 100.00 100.00 5.35e-02 . . . . 5289 1 17 no DBJ BAA13173 . "homeodomain protein PmHox5 [Polyandrocarpa misakiensis]" . . . . . 100.00 61 100.00 100.00 2.58e-01 . . . . 5289 1 18 no DBJ BAA76868 . "Scr [Bombyx mori]" . . . . . 100.00 356 100.00 100.00 3.05e-03 . . . . 5289 1 19 no DBJ BAA76869 . "Dfd [Bombyx mori]" . . . . . 100.00 392 100.00 100.00 3.28e-03 . . . . 5289 1 20 no EMBL CAA05151 . "Hox 5 [Ciona intestinalis]" . . . . . 100.00 220 100.00 100.00 1.02e-01 . . . . 5289 1 21 no EMBL CAA06713 . "hoxA7 [Homo sapiens]" . . . . . 100.00 230 100.00 100.00 1.86e-03 . . . . 5289 1 22 no EMBL CAA07498 . "homeobox protein [Cupiennius salei]" . . . . . 100.00 263 100.00 100.00 5.15e-03 . . . . 5289 1 23 no EMBL CAA07499 . "homeobox protein [Cupiennius salei]" . . . . . 100.00 172 100.00 100.00 2.57e-01 . . . . 5289 1 24 no EMBL CAA27417 . "antennapedia protein [Drosophila melanogaster]" . . . . . 100.00 378 100.00 100.00 6.06e-02 . . . . 5289 1 25 no GB AAA19914 . "Lox1 protein, partial [Hirudo medicinalis]" . . . . . 100.00 421 100.00 100.00 8.95e-01 . . . . 5289 1 26 no GB AAA20072 . "homeobox protein [Mus musculus]" . . . . . 100.00 248 100.00 100.00 2.08e-03 . . . . 5289 1 27 no GB AAA27723 . "H55 protein, partial [Apis mellifera]" . . . . . 100.00 86 100.00 100.00 1.40e-01 . . . . 5289 1 28 no GB AAA27728 . "H90 protein, partial [Apis mellifera]" . . . . . 100.00 74 100.00 100.00 1.61e-01 . . . . 5289 1 29 no GB AAA28373 . "Antennepedia protein, partial [Drosophila melanogaster]" . . . . . 100.00 74 100.00 100.00 2.06e-01 . . . . 5289 1 30 no PIR I65241 . "homeotic protein Hox-A - rat (fragment)" . . . . . 100.00 42 100.00 100.00 3.63e-01 . . . . 5289 1 31 no PIR S20087 . "homeotic protein box6 - sea urchin (Parechinus angulosus) (fragment)" . . . . . 100.00 138 100.00 100.00 2.12e-01 . . . . 5289 1 32 no PIR S57235 . "antennapedia protein (clone p1105) - fruit fly (Drosophila pseudoobscura) (fragment)" . . . . . 100.00 33 100.00 100.00 2.41e-01 . . . . 5289 1 33 no PIR S72429 . "homeotic protein HOX C6 (clone 211) - human" . . . . . 100.00 235 100.00 100.00 1.76e-01 . . . . 5289 1 34 no PRF 1105304A . "homeo box gene" . . . . . 100.00 119 100.00 100.00 1.08e+00 . . . . 5289 1 35 no PRF 1202268A . "Sex combs reduced gene" . . . . . 100.00 74 100.00 100.00 1.74e-01 . . . . 5289 1 36 no PRF 1205216A . "gene Antp" . . . . . 100.00 378 100.00 100.00 6.06e-02 . . . . 5289 1 37 no PRF 1205300A . "homeo box gene" . . . . . 100.00 70 100.00 100.00 1.47e-01 . . . . 5289 1 38 no PRF 1301323A . "gene homeobox" . . . . . 100.00 255 100.00 100.00 2.16e-03 . . . . 5289 1 39 no REF NP_001009335 . "homeobox protein Hox-C6 [Ovis aries]" . . . . . 100.00 153 100.00 100.00 1.83e-01 . . . . 5289 1 40 no REF NP_001011405 . "homeobox A5 [Xenopus (Silurana) tropicalis]" . . . . . 100.00 274 100.00 100.00 2.92e-03 . . . . 5289 1 41 no REF NP_001011571 . "homeobox protein H90 [Apis mellifera]" . . . . . 100.00 352 100.00 100.00 7.80e-02 . . . . 5289 1 42 no REF NP_001012293 . "homeobox protein Hox-D4 [Gallus gallus]" . . . . . 100.00 237 100.00 100.00 3.47e-02 . . . . 5289 1 43 no REF NP_001017480 . "homeobox protein Hox-B7 [Rattus norvegicus]" . . . . . 100.00 219 100.00 100.00 7.87e-03 . . . . 5289 1 44 no SP A1YER7 . "RecName: Full=Homeobox protein Hox-D4 [Gorilla gorilla gorilla]" . . . . . 100.00 255 100.00 100.00 2.16e-03 . . . . 5289 1 45 no SP A1YFA5 . "RecName: Full=Homeobox protein Hox-B7 [Gorilla gorilla gorilla]" . . . . . 100.00 217 100.00 100.00 1.46e-02 . . . . 5289 1 46 no SP A1YFD8 . "RecName: Full=Homeobox protein Hox-D4 [Saguinus labiatus]" . . . . . 100.00 255 100.00 100.00 2.16e-03 . . . . 5289 1 47 no SP A1YFY3 . "RecName: Full=Homeobox protein Hox-D4 [Pan paniscus]" . . . . . 100.00 255 100.00 100.00 2.16e-03 . . . . 5289 1 48 no SP A2D4P8 . "RecName: Full=Homeobox protein Hox-D4 [Ateles geoffroyi]" . . . . . 100.00 255 100.00 100.00 2.16e-03 . . . . 5289 1 49 no TPG DAA05783 . "TPA_exp: Hoxb4a variant 2 [Danio rerio]" . . . . . 100.00 105 100.00 100.00 7.68e-02 . . . . 5289 1 50 no TPG DAA18571 . "TPA: homeobox protein Hox-B7 [Bos taurus]" . . . . . 100.00 217 100.00 100.00 1.06e-02 . . . . 5289 1 51 no TPG DAA18675 . "TPA: homeobox B6-like [Bos taurus]" . . . . . 100.00 229 100.00 100.00 1.76e-02 . . . . 5289 1 52 no TPG DAA30035 . "TPA: homeobox C4 [Bos taurus]" . . . . . 100.00 264 100.00 100.00 3.70e-03 . . . . 5289 1 53 no TPG DAA30043 . "TPA: homeobox C6 [Bos taurus]" . . . . . 100.00 235 100.00 100.00 1.76e-01 . . . . 5289 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'penetratin, pAntp-(43-58)' abbreviation 5289 1 'third helix of Antennapedia homeodomain' common 5289 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 . ARG . 5289 1 2 . GLN . 5289 1 3 . ILE . 5289 1 4 . LYS . 5289 1 5 . ILE . 5289 1 6 . TRP . 5289 1 7 . PHE . 5289 1 8 . GLN . 5289 1 9 . ASN . 5289 1 10 . ARG . 5289 1 11 . ARG . 5289 1 12 . MET . 5289 1 13 . LYS . 5289 1 14 . TRP . 5289 1 15 . LYS . 5289 1 16 . LYS . 5289 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 . ARG 1 1 5289 1 . GLN 2 2 5289 1 . ILE 3 3 5289 1 . LYS 4 4 5289 1 . ILE 5 5 5289 1 . TRP 6 6 5289 1 . PHE 7 7 5289 1 . GLN 8 8 5289 1 . ASN 9 9 5289 1 . ARG 10 10 5289 1 . ARG 11 11 5289 1 . MET 12 12 5289 1 . LYS 13 13 5289 1 . TRP 14 14 5289 1 . LYS 15 15 5289 1 . LYS 16 16 5289 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 5289 _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 $penetratin . 7227 . . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 5289 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 5289 _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 $penetratin . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'Solid phase peptide synthesis. Boc strategy.' . . 5289 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5289 _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 'third helix of Antennapedia homeodomain' . . . 1 $penetratin . . 1.5 . . mM . . . . 5289 1 2 trifluoroethanol . . . . . . . 90 . . % . . . . 5289 1 3 water . . . . . . . 10 . . % . . . . 5289 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5289 _Sample.ID 2 _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 'third helix of Antennapedia homeodomain' . . . 1 $penetratin . . 1.5 . . mM . . . . 5289 2 2 trifluoroethanol . . . . . . . 10 . . % . . . . 5289 2 3 water . . . . . . . 90 . . % . . . . 5289 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set_1 _Sample_condition_list.Entry_ID 5289 _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 3 0.2 n/a 5289 1 temperature 300 1 K 5289 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5289 _Software.ID 1 _Software.Name FELIX _Software.Version 97.2 _Software.Details 'Accelrys Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 5289 1 'peak picking' 5289 1 'raw spectral data processing' 5289 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5289 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5289 _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_spectrometer Bruker DRX . 500 . . . 5289 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 5289 _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-1H DQF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5289 1 2 '2D 1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5289 1 3 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5289 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 5289 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H DQF-COSY' _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 5289 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-1H 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 5289 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-1H 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_ #################### # 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 5289 _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 0.0 internal direct 1.0 . . . . . . . . . 5289 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 5289 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_1 _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 $sample_1 . 5289 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 ARG HA H 1 4.10 0.01 . 1 . . . . . . . . 5289 1 2 . 1 1 1 1 ARG HB2 H 1 2.03 0.01 . 1 . . . . . . . . 5289 1 3 . 1 1 1 1 ARG HB3 H 1 2.03 0.01 . 1 . . . . . . . . 5289 1 4 . 1 1 1 1 ARG HG2 H 1 1.75 0.01 . 1 . . . . . . . . 5289 1 5 . 1 1 1 1 ARG HG3 H 1 1.75 0.01 . 1 . . . . . . . . 5289 1 6 . 1 1 1 1 ARG HD2 H 1 3.15 0.01 . 1 . . . . . . . . 5289 1 7 . 1 1 1 1 ARG HD3 H 1 3.15 0.01 . 1 . . . . . . . . 5289 1 8 . 1 1 1 1 ARG HE H 1 7.16 0.01 . 1 . . . . . . . . 5289 1 9 . 1 1 2 2 GLN H H 1 8.80 0.01 . 1 . . . . . . . . 5289 1 10 . 1 1 2 2 GLN HA H 1 4.40 0.01 . 1 . . . . . . . . 5289 1 11 . 1 1 2 2 GLN HB2 H 1 2.16 0.01 . 2 . . . . . . . . 5289 1 12 . 1 1 2 2 GLN HB3 H 1 2.04 0.01 . 2 . . . . . . . . 5289 1 13 . 1 1 2 2 GLN HG2 H 1 2.41 0.01 . 1 . . . . . . . . 5289 1 14 . 1 1 2 2 GLN HG3 H 1 2.41 0.01 . 1 . . . . . . . . 5289 1 15 . 1 1 2 2 GLN HE21 H 1 7.06 0.01 . 2 . . . . . . . . 5289 1 16 . 1 1 2 2 GLN HE22 H 1 6.27 0.01 . 2 . . . . . . . . 5289 1 17 . 1 1 3 3 ILE H H 1 7.80 0.01 . 1 . . . . . . . . 5289 1 18 . 1 1 3 3 ILE HA H 1 4.08 0.01 . 1 . . . . . . . . 5289 1 19 . 1 1 3 3 ILE HB H 1 1.94 0.01 . 1 . . . . . . . . 5289 1 20 . 1 1 3 3 ILE HG12 H 1 1.55 0.01 . 2 . . . . . . . . 5289 1 21 . 1 1 3 3 ILE HG13 H 1 1.25 0.01 . 2 . . . . . . . . 5289 1 22 . 1 1 3 3 ILE HG21 H 1 0.96 0.01 . 1 . . . . . . . . 5289 1 23 . 1 1 3 3 ILE HG22 H 1 0.96 0.01 . 1 . . . . . . . . 5289 1 24 . 1 1 3 3 ILE HG23 H 1 0.96 0.01 . 1 . . . . . . . . 5289 1 25 . 1 1 3 3 ILE HD11 H 1 0.90 0.01 . 1 . . . . . . . . 5289 1 26 . 1 1 3 3 ILE HD12 H 1 0.90 0.01 . 1 . . . . . . . . 5289 1 27 . 1 1 3 3 ILE HD13 H 1 0.90 0.01 . 1 . . . . . . . . 5289 1 28 . 1 1 4 4 LYS H H 1 7.92 0.01 . 1 . . . . . . . . 5289 1 29 . 1 1 4 4 LYS HA H 1 4.22 0.01 . 1 . . . . . . . . 5289 1 30 . 1 1 4 4 LYS HB2 H 1 1.87 0.01 . 2 . . . . . . . . 5289 1 31 . 1 1 4 4 LYS HB3 H 1 1.83 0.01 . 2 . . . . . . . . 5289 1 32 . 1 1 4 4 LYS HG2 H 1 1.59 0.01 . 2 . . . . . . . . 5289 1 33 . 1 1 4 4 LYS HG3 H 1 1.48 0.01 . 2 . . . . . . . . 5289 1 34 . 1 1 4 4 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 5289 1 35 . 1 1 4 4 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 5289 1 36 . 1 1 4 4 LYS HE2 H 1 3.01 0.01 . 1 . . . . . . . . 5289 1 37 . 1 1 4 4 LYS HE3 H 1 3.01 0.01 . 1 . . . . . . . . 5289 1 38 . 1 1 5 5 ILE H H 1 7.46 0.01 . 1 . . . . . . . . 5289 1 39 . 1 1 5 5 ILE HA H 1 3.92 0.01 . 1 . . . . . . . . 5289 1 40 . 1 1 5 5 ILE HB H 1 1.94 0.01 . 1 . . . . . . . . 5289 1 41 . 1 1 5 5 ILE HG12 H 1 1.57 0.01 . 2 . . . . . . . . 5289 1 42 . 1 1 5 5 ILE HG13 H 1 1.23 0.01 . 2 . . . . . . . . 5289 1 43 . 1 1 5 5 ILE HG21 H 1 0.91 0.01 . 1 . . . . . . . . 5289 1 44 . 1 1 5 5 ILE HG22 H 1 0.91 0.01 . 1 . . . . . . . . 5289 1 45 . 1 1 5 5 ILE HG23 H 1 0.91 0.01 . 1 . . . . . . . . 5289 1 46 . 1 1 5 5 ILE HD11 H 1 0.90 0.01 . 1 . . . . . . . . 5289 1 47 . 1 1 5 5 ILE HD12 H 1 0.90 0.01 . 1 . . . . . . . . 5289 1 48 . 1 1 5 5 ILE HD13 H 1 0.90 0.01 . 1 . . . . . . . . 5289 1 49 . 1 1 6 6 TRP H H 1 7.81 0.01 . 1 . . . . . . . . 5289 1 50 . 1 1 6 6 TRP HA H 1 4.42 0.01 . 1 . . . . . . . . 5289 1 51 . 1 1 6 6 TRP HB2 H 1 3.42 0.01 . 2 . . . . . . . . 5289 1 52 . 1 1 6 6 TRP HB3 H 1 3.31 0.01 . 2 . . . . . . . . 5289 1 53 . 1 1 6 6 TRP HD1 H 1 7.06 0.01 . 1 . . . . . . . . 5289 1 54 . 1 1 6 6 TRP HE1 H 1 9.52 0.01 . 1 . . . . . . . . 5289 1 55 . 1 1 6 6 TRP HE3 H 1 7.42 0.01 . 1 . . . . . . . . 5289 1 56 . 1 1 6 6 TRP HZ2 H 1 7.42 0.01 . 1 . . . . . . . . 5289 1 57 . 1 1 6 6 TRP HZ3 H 1 7.18 0.01 . 1 . . . . . . . . 5289 1 58 . 1 1 6 6 TRP HH2 H 1 7.05 0.01 . 1 . . . . . . . . 5289 1 59 . 1 1 7 7 PHE H H 1 8.20 0.01 . 1 . . . . . . . . 5289 1 60 . 1 1 7 7 PHE HA H 1 4.21 0.01 . 1 . . . . . . . . 5289 1 61 . 1 1 7 7 PHE HB2 H 1 3.18 0.01 . 1 . . . . . . . . 5289 1 62 . 1 1 7 7 PHE HB3 H 1 3.18 0.01 . 1 . . . . . . . . 5289 1 63 . 1 1 7 7 PHE HD1 H 1 7.26 0.01 . 1 . . . . . . . . 5289 1 64 . 1 1 7 7 PHE HD2 H 1 7.26 0.01 . 1 . . . . . . . . 5289 1 65 . 1 1 7 7 PHE HE1 H 1 7.34 0.01 . 1 . . . . . . . . 5289 1 66 . 1 1 7 7 PHE HE2 H 1 7.34 0.01 . 1 . . . . . . . . 5289 1 67 . 1 1 7 7 PHE HZ H 1 7.29 0.01 . 1 . . . . . . . . 5289 1 68 . 1 1 8 8 GLN H H 1 8.24 0.01 . 1 . . . . . . . . 5289 1 69 . 1 1 8 8 GLN HA H 1 4.11 0.01 . 1 . . . . . . . . 5289 1 70 . 1 1 8 8 GLN HB2 H 1 2.25 0.01 . 2 . . . . . . . . 5289 1 71 . 1 1 8 8 GLN HB3 H 1 2.17 0.01 . 2 . . . . . . . . 5289 1 72 . 1 1 8 8 GLN HG2 H 1 2.48 0.01 . 1 . . . . . . . . 5289 1 73 . 1 1 8 8 GLN HG3 H 1 2.48 0.01 . 1 . . . . . . . . 5289 1 74 . 1 1 8 8 GLN HE21 H 1 6.98 0.01 . 2 . . . . . . . . 5289 1 75 . 1 1 8 8 GLN HE22 H 1 6.29 0.01 . 2 . . . . . . . . 5289 1 76 . 1 1 9 9 ASN H H 1 8.22 0.01 . 1 . . . . . . . . 5289 1 77 . 1 1 9 9 ASN HA H 1 4.48 0.01 . 1 . . . . . . . . 5289 1 78 . 1 1 9 9 ASN HB2 H 1 2.89 0.01 . 2 . . . . . . . . 5289 1 79 . 1 1 9 9 ASN HB3 H 1 2.75 0.01 . 2 . . . . . . . . 5289 1 80 . 1 1 9 9 ASN HD21 H 1 7.25 0.01 . 2 . . . . . . . . 5289 1 81 . 1 1 9 9 ASN HD22 H 1 6.34 0.01 . 2 . . . . . . . . 5289 1 82 . 1 1 10 10 ARG H H 1 7.93 0.01 . 1 . . . . . . . . 5289 1 83 . 1 1 10 10 ARG HA H 1 3.97 0.01 . 1 . . . . . . . . 5289 1 84 . 1 1 10 10 ARG HB2 H 1 1.77 0.01 . 2 . . . . . . . . 5289 1 85 . 1 1 10 10 ARG HB3 H 1 1.69 0.01 . 2 . . . . . . . . 5289 1 86 . 1 1 10 10 ARG HG2 H 1 1.48 0.01 . 1 . . . . . . . . 5289 1 87 . 1 1 10 10 ARG HG3 H 1 1.48 0.01 . 1 . . . . . . . . 5289 1 88 . 1 1 10 10 ARG HD2 H 1 2.85 0.01 . 1 . . . . . . . . 5289 1 89 . 1 1 10 10 ARG HD3 H 1 2.85 0.01 . 1 . . . . . . . . 5289 1 90 . 1 1 10 10 ARG HE H 1 6.90 0.01 . 1 . . . . . . . . 5289 1 91 . 1 1 11 11 ARG H H 1 7.97 0.01 . 1 . . . . . . . . 5289 1 92 . 1 1 11 11 ARG HA H 1 4.06 0.01 . 1 . . . . . . . . 5289 1 93 . 1 1 11 11 ARG HB2 H 1 1.88 0.01 . 2 . . . . . . . . 5289 1 94 . 1 1 11 11 ARG HB3 H 1 1.82 0.01 . 2 . . . . . . . . 5289 1 95 . 1 1 11 11 ARG HG2 H 1 1.68 0.01 . 2 . . . . . . . . 5289 1 96 . 1 1 11 11 ARG HG3 H 1 1.60 0.01 . 2 . . . . . . . . 5289 1 97 . 1 1 11 11 ARG HD2 H 1 3.12 0.01 . 1 . . . . . . . . 5289 1 98 . 1 1 11 11 ARG HD3 H 1 3.12 0.01 . 1 . . . . . . . . 5289 1 99 . 1 1 11 11 ARG HE H 1 7.03 0.01 . 1 . . . . . . . . 5289 1 100 . 1 1 12 12 MET H H 1 7.93 0.01 . 1 . . . . . . . . 5289 1 101 . 1 1 12 12 MET HA H 1 4.30 0.01 . 1 . . . . . . . . 5289 1 102 . 1 1 12 12 MET HB2 H 1 2.14 0.01 . 2 . . . . . . . . 5289 1 103 . 1 1 12 12 MET HB3 H 1 2.09 0.01 . 2 . . . . . . . . 5289 1 104 . 1 1 12 12 MET HG2 H 1 2.69 0.01 . 2 . . . . . . . . 5289 1 105 . 1 1 12 12 MET HG3 H 1 2.58 0.01 . 2 . . . . . . . . 5289 1 106 . 1 1 12 12 MET HE1 H 1 2.49 0.01 . 1 . . . . . . . . 5289 1 107 . 1 1 12 12 MET HE2 H 1 2.49 0.01 . 1 . . . . . . . . 5289 1 108 . 1 1 12 12 MET HE3 H 1 2.49 0.01 . 1 . . . . . . . . 5289 1 109 . 1 1 13 13 LYS H H 1 7.77 0.01 . 1 . . . . . . . . 5289 1 110 . 1 1 13 13 LYS HA H 1 4.11 0.01 . 1 . . . . . . . . 5289 1 111 . 1 1 13 13 LYS HB2 H 1 1.82 0.01 . 1 . . . . . . . . 5289 1 112 . 1 1 13 13 LYS HB3 H 1 1.82 0.01 . 1 . . . . . . . . 5289 1 113 . 1 1 13 13 LYS HG2 H 1 1.41 0.01 . 2 . . . . . . . . 5289 1 114 . 1 1 13 13 LYS HG3 H 1 1.33 0.01 . 2 . . . . . . . . 5289 1 115 . 1 1 13 13 LYS HD2 H 1 1.62 0.01 . 1 . . . . . . . . 5289 1 116 . 1 1 13 13 LYS HD3 H 1 1.62 0.01 . 1 . . . . . . . . 5289 1 117 . 1 1 13 13 LYS HE2 H 1 2.92 0.01 . 1 . . . . . . . . 5289 1 118 . 1 1 13 13 LYS HE3 H 1 2.92 0.01 . 1 . . . . . . . . 5289 1 119 . 1 1 13 13 LYS HZ1 H 1 7.45 0.01 . 1 . . . . . . . . 5289 1 120 . 1 1 13 13 LYS HZ2 H 1 7.45 0.01 . 1 . . . . . . . . 5289 1 121 . 1 1 13 13 LYS HZ3 H 1 7.45 0.01 . 1 . . . . . . . . 5289 1 122 . 1 1 14 14 TRP H H 1 7.78 0.01 . 1 . . . . . . . . 5289 1 123 . 1 1 14 14 TRP HA H 1 4.56 0.01 . 1 . . . . . . . . 5289 1 124 . 1 1 14 14 TRP HB2 H 1 3.39 0.01 . 2 . . . . . . . . 5289 1 125 . 1 1 14 14 TRP HB3 H 1 3.32 0.01 . 2 . . . . . . . . 5289 1 126 . 1 1 14 14 TRP HD1 H 1 7.21 0.01 . 1 . . . . . . . . 5289 1 127 . 1 1 14 14 TRP HE1 H 1 9.50 0.01 . 1 . . . . . . . . 5289 1 128 . 1 1 14 14 TRP HE3 H 1 7.61 0.01 . 1 . . . . . . . . 5289 1 129 . 1 1 14 14 TRP HZ2 H 1 7.44 0.01 . 1 . . . . . . . . 5289 1 130 . 1 1 14 14 TRP HZ3 H 1 7.12 0.01 . 1 . . . . . . . . 5289 1 131 . 1 1 14 14 TRP HH2 H 1 7.21 0.01 . 1 . . . . . . . . 5289 1 132 . 1 1 15 15 LYS H H 1 7.72 0.01 . 1 . . . . . . . . 5289 1 133 . 1 1 15 15 LYS HA H 1 4.13 0.01 . 1 . . . . . . . . 5289 1 134 . 1 1 15 15 LYS HB2 H 1 1.84 0.01 . 2 . . . . . . . . 5289 1 135 . 1 1 15 15 LYS HB3 H 1 1.75 0.01 . 2 . . . . . . . . 5289 1 136 . 1 1 15 15 LYS HG2 H 1 1.35 0.01 . 1 . . . . . . . . 5289 1 137 . 1 1 15 15 LYS HG3 H 1 1.35 0.01 . 1 . . . . . . . . 5289 1 138 . 1 1 15 15 LYS HD2 H 1 1.67 0.01 . 1 . . . . . . . . 5289 1 139 . 1 1 15 15 LYS HD3 H 1 1.67 0.01 . 1 . . . . . . . . 5289 1 140 . 1 1 15 15 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 5289 1 141 . 1 1 15 15 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 5289 1 142 . 1 1 16 16 LYS H H 1 7.71 0.01 . 1 . . . . . . . . 5289 1 143 . 1 1 16 16 LYS HA H 1 4.27 0.01 . 1 . . . . . . . . 5289 1 144 . 1 1 16 16 LYS HB2 H 1 1.88 0.01 . 2 . . . . . . . . 5289 1 145 . 1 1 16 16 LYS HB3 H 1 1.77 0.01 . 2 . . . . . . . . 5289 1 146 . 1 1 16 16 LYS HG2 H 1 1.49 0.01 . 2 . . . . . . . . 5289 1 147 . 1 1 16 16 LYS HG3 H 1 1.44 0.01 . 2 . . . . . . . . 5289 1 148 . 1 1 16 16 LYS HD2 H 1 1.70 0.01 . 1 . . . . . . . . 5289 1 149 . 1 1 16 16 LYS HD3 H 1 1.70 0.01 . 1 . . . . . . . . 5289 1 150 . 1 1 16 16 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 5289 1 151 . 1 1 16 16 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 5289 1 152 . 1 1 16 16 LYS HZ1 H 1 7.46 0.01 . 1 . . . . . . . . 5289 1 153 . 1 1 16 16 LYS HZ2 H 1 7.46 0.01 . 1 . . . . . . . . 5289 1 154 . 1 1 16 16 LYS HZ3 H 1 7.46 0.01 . 1 . . . . . . . . 5289 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5289 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_1 _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 . . 2 $sample_2 . 5289 2 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 ARG H H 1 7.62 0.01 . 1 . . . . . . . . 5289 2 2 . 1 1 1 1 ARG HA H 1 3.97 0.01 . 1 . . . . . . . . 5289 2 3 . 1 1 1 1 ARG HB2 H 1 1.85 0.01 . 2 . . . . . . . . 5289 2 4 . 1 1 1 1 ARG HB3 H 1 1.84 0.01 . 2 . . . . . . . . 5289 2 5 . 1 1 1 1 ARG HG2 H 1 1.54 0.01 . 1 . . . . . . . . 5289 2 6 . 1 1 1 1 ARG HG3 H 1 1.54 0.01 . 1 . . . . . . . . 5289 2 7 . 1 1 1 1 ARG HD2 H 1 3.12 0.01 . 1 . . . . . . . . 5289 2 8 . 1 1 1 1 ARG HD3 H 1 3.12 0.01 . 1 . . . . . . . . 5289 2 9 . 1 1 1 1 ARG HE H 1 7.11 0.01 . 1 . . . . . . . . 5289 2 10 . 1 1 2 2 GLN H H 1 8.75 0.01 . 1 . . . . . . . . 5289 2 11 . 1 1 2 2 GLN HA H 1 4.36 0.01 . 1 . . . . . . . . 5289 2 12 . 1 1 2 2 GLN HB2 H 1 1.96 0.01 . 2 . . . . . . . . 5289 2 13 . 1 1 2 2 GLN HB3 H 1 1.90 0.01 . 2 . . . . . . . . 5289 2 14 . 1 1 2 2 GLN HG2 H 1 2.26 0.01 . 1 . . . . . . . . 5289 2 15 . 1 1 2 2 GLN HG3 H 1 2.26 0.01 . 1 . . . . . . . . 5289 2 16 . 1 1 3 3 ILE H H 1 8.32 0.01 . 1 . . . . . . . . 5289 2 17 . 1 1 3 3 ILE HA H 1 4.09 0.01 . 1 . . . . . . . . 5289 2 18 . 1 1 3 3 ILE HB H 1 1.74 0.01 . 1 . . . . . . . . 5289 2 19 . 1 1 3 3 ILE HG12 H 1 1.37 0.01 . 2 . . . . . . . . 5289 2 20 . 1 1 3 3 ILE HG13 H 1 1.10 0.01 . 2 . . . . . . . . 5289 2 21 . 1 1 3 3 ILE HG21 H 1 0.74 0.01 . 1 . . . . . . . . 5289 2 22 . 1 1 3 3 ILE HG22 H 1 0.74 0.01 . 1 . . . . . . . . 5289 2 23 . 1 1 3 3 ILE HG23 H 1 0.74 0.01 . 1 . . . . . . . . 5289 2 24 . 1 1 3 3 ILE HD11 H 1 0.75 0.01 . 1 . . . . . . . . 5289 2 25 . 1 1 3 3 ILE HD12 H 1 0.75 0.01 . 1 . . . . . . . . 5289 2 26 . 1 1 3 3 ILE HD13 H 1 0.75 0.01 . 1 . . . . . . . . 5289 2 27 . 1 1 4 4 LYS H H 1 8.23 0.01 . 1 . . . . . . . . 5289 2 28 . 1 1 4 4 LYS HA H 1 4.17 0.01 . 1 . . . . . . . . 5289 2 29 . 1 1 4 4 LYS HB2 H 1 1.54 0.01 . 1 . . . . . . . . 5289 2 30 . 1 1 4 4 LYS HB3 H 1 1.54 0.01 . 1 . . . . . . . . 5289 2 31 . 1 1 4 4 LYS HG2 H 1 1.18 0.01 . 2 . . . . . . . . 5289 2 32 . 1 1 4 4 LYS HG3 H 1 1.10 0.01 . 2 . . . . . . . . 5289 2 33 . 1 1 4 4 LYS HD2 H 1 1.47 0.01 . 1 . . . . . . . . 5289 2 34 . 1 1 4 4 LYS HD3 H 1 1.47 0.01 . 1 . . . . . . . . 5289 2 35 . 1 1 4 4 LYS HE2 H 1 2.71 0.01 . 1 . . . . . . . . 5289 2 36 . 1 1 4 4 LYS HE3 H 1 2.71 0.01 . 1 . . . . . . . . 5289 2 37 . 1 1 4 4 LYS HZ1 H 1 7.38 0.01 . 1 . . . . . . . . 5289 2 38 . 1 1 4 4 LYS HZ2 H 1 7.38 0.01 . 1 . . . . . . . . 5289 2 39 . 1 1 4 4 LYS HZ3 H 1 7.38 0.01 . 1 . . . . . . . . 5289 2 40 . 1 1 5 5 ILE H H 1 7.96 0.01 . 1 . . . . . . . . 5289 2 41 . 1 1 5 5 ILE HA H 1 4.02 0.01 . 1 . . . . . . . . 5289 2 42 . 1 1 5 5 ILE HB H 1 1.64 0.01 . 1 . . . . . . . . 5289 2 43 . 1 1 5 5 ILE HG12 H 1 1.29 0.01 . 2 . . . . . . . . 5289 2 44 . 1 1 5 5 ILE HG13 H 1 1.03 0.01 . 2 . . . . . . . . 5289 2 45 . 1 1 5 5 ILE HG21 H 1 0.64 0.01 . 1 . . . . . . . . 5289 2 46 . 1 1 5 5 ILE HG22 H 1 0.64 0.01 . 1 . . . . . . . . 5289 2 47 . 1 1 5 5 ILE HG23 H 1 0.64 0.01 . 1 . . . . . . . . 5289 2 48 . 1 1 5 5 ILE HD11 H 1 0.72 0.01 . 1 . . . . . . . . 5289 2 49 . 1 1 5 5 ILE HD12 H 1 0.72 0.01 . 1 . . . . . . . . 5289 2 50 . 1 1 5 5 ILE HD13 H 1 0.72 0.01 . 1 . . . . . . . . 5289 2 51 . 1 1 6 6 TRP H H 1 8.03 0.01 . 1 . . . . . . . . 5289 2 52 . 1 1 6 6 TRP HA H 1 4.52 0.01 . 1 . . . . . . . . 5289 2 53 . 1 1 6 6 TRP HB2 H 1 3.10 0.01 . 2 . . . . . . . . 5289 2 54 . 1 1 6 6 TRP HB3 H 1 3.07 0.01 . 2 . . . . . . . . 5289 2 55 . 1 1 6 6 TRP HD1 H 1 7.47 0.01 . 1 . . . . . . . . 5289 2 56 . 1 1 6 6 TRP HE1 H 1 10.04 0.01 . 1 . . . . . . . . 5289 2 57 . 1 1 7 7 PHE H H 1 7.81 0.01 . 1 . . . . . . . . 5289 2 58 . 1 1 7 7 PHE HA H 1 4.38 0.01 . 1 . . . . . . . . 5289 2 59 . 1 1 7 7 PHE HB2 H 1 2.91 0.01 . 2 . . . . . . . . 5289 2 60 . 1 1 7 7 PHE HB3 H 1 2.82 0.01 . 2 . . . . . . . . 5289 2 61 . 1 1 7 7 PHE HD1 H 1 7.06 0.01 . 1 . . . . . . . . 5289 2 62 . 1 1 7 7 PHE HD2 H 1 7.06 0.01 . 1 . . . . . . . . 5289 2 63 . 1 1 8 8 GLN H H 1 8.05 0.01 . 1 . . . . . . . . 5289 2 64 . 1 1 8 8 GLN HA H 1 4.04 0.01 . 1 . . . . . . . . 5289 2 65 . 1 1 8 8 GLN HB2 H 1 1.92 0.01 . 2 . . . . . . . . 5289 2 66 . 1 1 8 8 GLN HB3 H 1 1.82 0.01 . 2 . . . . . . . . 5289 2 67 . 1 1 8 8 GLN HG2 H 1 2.15 0.01 . 1 . . . . . . . . 5289 2 68 . 1 1 8 8 GLN HG3 H 1 2.15 0.01 . 1 . . . . . . . . 5289 2 69 . 1 1 9 9 ASN H H 1 8.24 0.01 . 1 . . . . . . . . 5289 2 70 . 1 1 9 9 ASN HA H 1 4.52 0.01 . 1 . . . . . . . . 5289 2 71 . 1 1 9 9 ASN HB2 H 1 2.77 0.01 . 2 . . . . . . . . 5289 2 72 . 1 1 9 9 ASN HB3 H 1 2.68 0.01 . 2 . . . . . . . . 5289 2 73 . 1 1 9 9 ASN HD21 H 1 7.52 0.01 . 2 . . . . . . . . 5289 2 74 . 1 1 9 9 ASN HD22 H 1 6.82 0.01 . 2 . . . . . . . . 5289 2 75 . 1 1 10 10 ARG H H 1 8.13 0.01 . 1 . . . . . . . . 5289 2 76 . 1 1 10 10 ARG HA H 1 4.15 0.01 . 1 . . . . . . . . 5289 2 77 . 1 1 10 10 ARG HB2 H 1 1.74 0.01 . 2 . . . . . . . . 5289 2 78 . 1 1 10 10 ARG HB3 H 1 1.64 0.01 . 2 . . . . . . . . 5289 2 79 . 1 1 10 10 ARG HG2 H 1 1.55 0.01 . 2 . . . . . . . . 5289 2 80 . 1 1 10 10 ARG HG3 H 1 1.47 0.01 . 2 . . . . . . . . 5289 2 81 . 1 1 10 10 ARG HD2 H 1 3.04 0.01 . 1 . . . . . . . . 5289 2 82 . 1 1 10 10 ARG HD3 H 1 3.04 0.01 . 1 . . . . . . . . 5289 2 83 . 1 1 10 10 ARG HE H 1 7.08 0.01 . 1 . . . . . . . . 5289 2 84 . 1 1 11 11 ARG H H 1 8.12 0.01 . 1 . . . . . . . . 5289 2 85 . 1 1 11 11 ARG HA H 1 4.15 0.01 . 1 . . . . . . . . 5289 2 86 . 1 1 11 11 ARG HB2 H 1 1.76 0.01 . 2 . . . . . . . . 5289 2 87 . 1 1 11 11 ARG HB3 H 1 1.65 0.01 . 2 . . . . . . . . 5289 2 88 . 1 1 11 11 ARG HG2 H 1 1.50 0.01 . 1 . . . . . . . . 5289 2 89 . 1 1 11 11 ARG HG3 H 1 1.50 0.01 . 1 . . . . . . . . 5289 2 90 . 1 1 11 11 ARG HD2 H 1 3.01 0.01 . 1 . . . . . . . . 5289 2 91 . 1 1 11 11 ARG HD3 H 1 3.01 0.01 . 1 . . . . . . . . 5289 2 92 . 1 1 11 11 ARG HE H 1 7.04 0.01 . 1 . . . . . . . . 5289 2 93 . 1 1 12 12 MET H H 1 8.05 0.01 . 1 . . . . . . . . 5289 2 94 . 1 1 12 12 MET HA H 1 4.29 0.01 . 1 . . . . . . . . 5289 2 95 . 1 1 12 12 MET HB2 H 1 1.84 0.01 . 2 . . . . . . . . 5289 2 96 . 1 1 12 12 MET HB3 H 1 1.80 0.01 . 2 . . . . . . . . 5289 2 97 . 1 1 12 12 MET HG2 H 1 2.42 0.01 . 2 . . . . . . . . 5289 2 98 . 1 1 12 12 MET HG3 H 1 2.38 0.01 . 2 . . . . . . . . 5289 2 99 . 1 1 13 13 LYS H H 1 8.07 0.01 . 1 . . . . . . . . 5289 2 100 . 1 1 13 13 LYS HA H 1 4.14 0.01 . 1 . . . . . . . . 5289 2 101 . 1 1 13 13 LYS HB2 H 1 1.62 0.01 . 2 . . . . . . . . 5289 2 102 . 1 1 13 13 LYS HB3 H 1 1.55 0.01 . 2 . . . . . . . . 5289 2 103 . 1 1 13 13 LYS HG2 H 1 1.23 0.01 . 2 . . . . . . . . 5289 2 104 . 1 1 13 13 LYS HG3 H 1 1.18 0.01 . 2 . . . . . . . . 5289 2 105 . 1 1 13 13 LYS HD2 H 1 1.57 0.01 . 1 . . . . . . . . 5289 2 106 . 1 1 13 13 LYS HD3 H 1 1.57 0.01 . 1 . . . . . . . . 5289 2 107 . 1 1 13 13 LYS HE2 H 1 2.87 0.01 . 1 . . . . . . . . 5289 2 108 . 1 1 13 13 LYS HE3 H 1 2.87 0.01 . 1 . . . . . . . . 5289 2 109 . 1 1 14 14 TRP H H 1 7.93 0.01 . 1 . . . . . . . . 5289 2 110 . 1 1 14 14 TRP HA H 1 4.57 0.01 . 1 . . . . . . . . 5289 2 111 . 1 1 14 14 TRP HB2 H 1 3.21 0.01 . 2 . . . . . . . . 5289 2 112 . 1 1 14 14 TRP HB3 H 1 3.14 0.01 . 2 . . . . . . . . 5289 2 113 . 1 1 14 14 TRP HD1 H 1 7.40 0.01 . 1 . . . . . . . . 5289 2 114 . 1 1 14 14 TRP HE1 H 1 10.04 0.01 . 1 . . . . . . . . 5289 2 115 . 1 1 15 15 LYS H H 1 7.89 0.01 . 1 . . . . . . . . 5289 2 116 . 1 1 15 15 LYS HA H 1 4.12 0.01 . 1 . . . . . . . . 5289 2 117 . 1 1 15 15 LYS HB2 H 1 1.65 0.01 . 1 . . . . . . . . 5289 2 118 . 1 1 15 15 LYS HB3 H 1 1.65 0.01 . 1 . . . . . . . . 5289 2 119 . 1 1 15 15 LYS HG2 H 1 1.18 0.01 . 1 . . . . . . . . 5289 2 120 . 1 1 15 15 LYS HG3 H 1 1.18 0.01 . 1 . . . . . . . . 5289 2 121 . 1 1 15 15 LYS HD2 H 1 1.53 0.01 . 1 . . . . . . . . 5289 2 122 . 1 1 15 15 LYS HD3 H 1 1.53 0.01 . 1 . . . . . . . . 5289 2 123 . 1 1 15 15 LYS HE2 H 1 2.86 0.01 . 1 . . . . . . . . 5289 2 124 . 1 1 15 15 LYS HE3 H 1 2.86 0.01 . 1 . . . . . . . . 5289 2 125 . 1 1 15 15 LYS HZ1 H 1 7.43 0.01 . 1 . . . . . . . . 5289 2 126 . 1 1 15 15 LYS HZ2 H 1 7.43 0.01 . 1 . . . . . . . . 5289 2 127 . 1 1 15 15 LYS HZ3 H 1 7.43 0.01 . 1 . . . . . . . . 5289 2 128 . 1 1 16 16 LYS H H 1 8.01 0.01 . 1 . . . . . . . . 5289 2 129 . 1 1 16 16 LYS HA H 1 4.04 0.01 . 1 . . . . . . . . 5289 2 130 . 1 1 16 16 LYS HB2 H 1 1.68 0.01 . 2 . . . . . . . . 5289 2 131 . 1 1 16 16 LYS HB3 H 1 1.60 0.01 . 2 . . . . . . . . 5289 2 132 . 1 1 16 16 LYS HG2 H 1 1.34 0.01 . 1 . . . . . . . . 5289 2 133 . 1 1 16 16 LYS HG3 H 1 1.34 0.01 . 1 . . . . . . . . 5289 2 134 . 1 1 16 16 LYS HD2 H 1 1.63 0.01 . 1 . . . . . . . . 5289 2 135 . 1 1 16 16 LYS HD3 H 1 1.63 0.01 . 1 . . . . . . . . 5289 2 136 . 1 1 16 16 LYS HE2 H 1 2.89 0.01 . 1 . . . . . . . . 5289 2 137 . 1 1 16 16 LYS HE3 H 1 2.89 0.01 . 1 . . . . . . . . 5289 2 138 . 1 1 16 16 LYS HZ1 H 1 7.24 0.01 . 1 . . . . . . . . 5289 2 139 . 1 1 16 16 LYS HZ2 H 1 7.24 0.01 . 1 . . . . . . . . 5289 2 140 . 1 1 16 16 LYS HZ3 H 1 7.24 0.01 . 1 . . . . . . . . 5289 2 stop_ save_