data_6083 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6083 _Entry.Title ; Specific recognition between surface loop 2 (132-143) and helix 1 (144-154) within sheep prion protein from in vitro studies of synthetic peptides ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-01-18 _Entry.Accession_date 2004-01-26 _Entry.Last_release_date 2004-03-07 _Entry.Original_release_date 2004-03-07 _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 Sergey Kozin . A. . 6083 2 Claire Lepage . . . 6083 3 Gaston 'Hui Bon Hoa' . . . 6083 4 Hanitra Rabesona . . . 6083 5 Alexey Mazur . K. . 6083 6 Alain Blond . . . 6083 7 Michel Cheminant . . . 6083 8 Thomas Haertle . . . 6083 9 Pascale Debey . . . 6083 10 Sylvie Rebuffat . . . 6083 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6083 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 143 6083 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 . . 2004-03-07 2004-01-18 original author . 6083 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1S4T 'BMRB Entry Tracking System' 6083 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6083 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Specific recognition between surface loop 2 (132-143) and helix 1 (144-154) within sheep prion protein from in vitro studies of synthetic peptides ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2004 _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 Sergey Kozin . A. . 6083 1 2 Claire Lepage . . . 6083 1 3 Gaston 'Hui Bon Hoa' . . . 6083 1 4 Hanitra Rabesona . . . 6083 1 5 Alexey Mazur . K. . 6083 1 6 Alain Blond . . . 6083 1 7 Michel Cheminant . . . 6083 1 8 Thomas Haertle . . . 6083 1 9 Pascale Debey . . . 6083 1 10 Sylvie Rebuffat . . . 6083 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID interaction 6083 1 NMR 6083 1 peptide 6083 1 prion 6083 1 protein 6083 1 recognition 6083 1 solution 6083 1 structure 6083 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SheepPrP(135-155) _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SheepPrP(135-155) _Assembly.Entry_ID 6083 _Assembly.ID 1 _Assembly.Name SheepPrP(135-155) _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 6083 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 SheepPrP(135-155) 1 $SheepPrP(135-155) . . . native . . . . . 6083 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 1S4T . . . . . 'no difference' 6083 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID SheepPrP(135-155) abbreviation 6083 1 SheepPrP(135-155) system 6083 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SheepPrP(135-155) _Entity.Sf_category entity _Entity.Sf_framecode SheepPrP(135-155) _Entity.Entry_ID 6083 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Sheep prion protein peptide 135-155 (in human numbering)' _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 ; SRPLIHFGNDYEDRYYRENM Y ; _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 21 _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 2739 _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 15394 . "rpp mutation S173N" . . . . . 100.00 138 100.00 100.00 2.03e-05 . . . . 6083 1 2 no BMRB 15399 . "rpp I214V" . . . . . 100.00 138 100.00 100.00 1.44e-05 . . . . 6083 1 3 no BMRB 16328 . prion_protein . . . . . 100.00 145 100.00 100.00 6.33e-05 . . . . 6083 1 4 no BMRB 16616 . prion . . . . . 100.00 145 100.00 100.00 5.08e-05 . . . . 6083 1 5 no BMRB 16720 . "mouse prion protein mutant D167S" . . . . . 100.00 113 100.00 100.00 4.12e-06 . . . . 6083 1 6 no BMRB 4650 . PrP . . . . . 66.67 26 100.00 100.00 7.36e+00 . . . . 6083 1 7 no BMRB 5405 . PrP . . . . . 66.67 26 100.00 100.00 7.36e+00 . . . . 6083 1 8 no BMRB 6377 . prion_protein . . . . . 100.00 113 100.00 100.00 5.73e-06 . . . . 6083 1 9 no BMRB 6378 . cPrP . . . . . 100.00 113 100.00 100.00 4.98e-06 . . . . 6083 1 10 no BMRB 6381 . ovPrP_H168 . . . . . 100.00 113 100.00 100.00 5.90e-06 . . . . 6083 1 11 no BMRB 6383 . eprp . . . . . 100.00 113 100.00 100.00 5.62e-06 . . . . 6083 1 12 no BMRB 6403 . Ovine_Prion_Protein_Variant_R168 . . . . . 100.00 113 100.00 100.00 5.90e-06 . . . . 6083 1 13 no BMRB 6953 . entity . . . . . 100.00 138 100.00 100.00 1.48e-05 . . . . 6083 1 14 no BMRB 7142 . "prion protein" . . . . . 100.00 138 100.00 100.00 1.48e-05 . . . . 6083 1 15 no PDB 1G04 . "Solution Structure Of Synthetic 26-Mer Peptide Containing 145-169 Sheep Prion Protein Segment And C-Terminal Cysteine" . . . . . 66.67 26 100.00 100.00 7.36e+00 . . . . 6083 1 16 no PDB 1M25 . "Structure Of Synthetic 26-Mer Peptide Containing 145-169 Sheep Prion Protein Segment And C-Terminal Cysteine In Tfe Solution" . . . . . 66.67 26 100.00 100.00 7.36e+00 . . . . 6083 1 17 no PDB 1S4T . "Solution Structure Of Synthetic 21mer Peptide Spanning Region 135-155 (In Human Numbering) Of Sheep Prion Protein" . . . . . 95.24 21 100.00 100.00 6.37e-05 . . . . 6083 1 18 no PDB 1TPX . "Ovine Recombinant Prp(114-234), Arq Variant In Complex With The Fab Of The Vrq14 Antibody" . . . . . 100.00 121 100.00 100.00 3.88e-06 . . . . 6083 1 19 no PDB 1TQB . "Ovine Recombinant Prp(114-234), Vrq Variant In Complex With The Fab Of The Vrq14 Antibody" . . . . . 100.00 102 100.00 100.00 5.87e-06 . . . . 6083 1 20 no PDB 1TQC . "Ovine Recombinant Prp(114-234), Arr Variant In Complex With The Vrq14 Fab Fragment (Igg2a)" . . . . . 100.00 102 100.00 100.00 6.43e-06 . . . . 6083 1 21 no PDB 1XYJ . "Nmr Structure Of The Cat Prion Protein" . . . . . 100.00 111 100.00 100.00 6.02e-06 . . . . 6083 1 22 no PDB 1XYK . "Nmr Structure Of The Canine Prion Protein" . . . . . 100.00 111 100.00 100.00 5.29e-06 . . . . 6083 1 23 no PDB 1XYU . "Solution Structure Of The Sheep Prion Protein With Polymorphism H168" . . . . . 100.00 111 100.00 100.00 6.20e-06 . . . . 6083 1 24 no PDB 1XYW . "Elk Prion Protein" . . . . . 100.00 111 100.00 100.00 5.61e-06 . . . . 6083 1 25 no PDB 1Y2S . "Ovine Prion Protein Variant R168" . . . . . 100.00 113 100.00 100.00 5.90e-06 . . . . 6083 1 26 no PDB 2FJ3 . "Nmr Solution Of Rabbit Prion Protein (91-228)" . . . . . 100.00 138 100.00 100.00 1.48e-05 . . . . 6083 1 27 no PDB 2JOH . "Nmr Structure Of Rabbit Prion Protein Mutation S173n" . . . . . 100.00 148 100.00 100.00 7.45e-05 . . . . 6083 1 28 no PDB 2JOM . "Nmr Structure Of Rabbit Prion Protein Mutation I214v" . . . . . 100.00 148 100.00 100.00 5.91e-05 . . . . 6083 1 29 no PDB 2KU4 . "Horse Prion Protein" . . . . . 100.00 113 100.00 100.00 4.12e-06 . . . . 6083 1 30 no PDB 2RMW . "Solution Structure Of Synthetic 26-Mer Peptide Containing 142-166 Sheep Prion Protein Segment And C-Terminal Cysteine With R156" . . . . . 66.67 26 100.00 100.00 6.09e+00 . . . . 6083 1 31 no PDB 3O79 . "Crystal Structure Of Wild-Type Rabbit Prp 126-230" . . . . . 100.00 105 100.00 100.00 3.93e-06 . . . . 6083 1 32 no PDB 4HLS . "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n)" . . . . . 100.00 132 100.00 100.00 4.58e-06 . . . . 6083 1 33 no PDB 4HMM . "Crystal Structure Of Mutant Rabbit Prp 121-230 (s174n)" . . . . . 100.00 132 100.00 100.00 4.58e-06 . . . . 6083 1 34 no PDB 4HMR . "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n/s174n)" . . . . . 100.00 132 100.00 100.00 5.01e-06 . . . . 6083 1 35 no DBJ BAA07376 . "PrP [Ovis sp.]" . . . . . 100.00 256 100.00 100.00 9.94e-07 . . . . 6083 1 36 no DBJ BAB69955 . "prion protein [Ovis aries musimon]" . . . . . 100.00 256 100.00 100.00 9.94e-07 . . . . 6083 1 37 no DBJ BAB69956 . "prion protein [Ovis aries musimon]" . . . . . 100.00 256 100.00 100.00 9.94e-07 . . . . 6083 1 38 no DBJ BAD51981 . "prion protein [Macaca fascicularis]" . . . . . 100.00 253 100.00 100.00 1.14e-06 . . . . 6083 1 39 no DBJ BAD72795 . "prion protein [Equus caballus]" . . . . . 100.00 213 100.00 100.00 3.43e-06 . . . . 6083 1 40 no EMBL CAA04234 . "Prion protein [Ovis aries]" . . . . . 100.00 256 100.00 100.00 8.61e-07 . . . . 6083 1 41 no EMBL CAA04236 . "Prion protein [Ovis aries]" . . . . . 100.00 256 100.00 100.00 8.09e-07 . . . . 6083 1 42 no EMBL CAA04272 . "Prion protein [Ovis aries]" . . . . . 100.00 256 100.00 100.00 1.07e-06 . . . . 6083 1 43 no EMBL CAA04273 . "Prion protein [Ovis aries]" . . . . . 100.00 256 100.00 100.00 8.61e-07 . . . . 6083 1 44 no EMBL CAA04274 . "Prion protein [Ovis aries]" . . . . . 100.00 256 100.00 100.00 1.06e-06 . . . . 6083 1 45 no GB AAA68634 . "major prion protein precursor [Ateles paniscus x Ateles fusciceps]" . . . . . 100.00 252 100.00 100.00 2.51e-06 . . . . 6083 1 46 no GB AAA68635 . "major prion protein precursor [Macaca mulatta]" . . . . . 100.00 253 100.00 100.00 1.14e-06 . . . . 6083 1 47 no GB AAA68636 . "major prion protein precursor [Saimiri sciureus]" . . . . . 100.00 252 100.00 100.00 1.56e-06 . . . . 6083 1 48 no GB AAA69022 . "prion protein [Mustela putorius]" . . . . . 100.00 257 100.00 100.00 4.45e-07 . . . . 6083 1 49 no GB AAB03105 . "prion protein [Trachypithecus francoisi]" . . . . . 100.00 253 100.00 100.00 1.04e-06 . . . . 6083 1 50 no PIR JQ1900 . "major prion protein precursor - European mink" . . . . . 100.00 257 100.00 100.00 6.32e-07 . . . . 6083 1 51 no PRF 1921132A . "PrP protein" . . . . . 100.00 256 100.00 100.00 9.94e-07 . . . . 6083 1 52 no REF NP_001009481 . "major prion protein precursor [Ovis aries]" . . . . . 100.00 256 100.00 100.00 9.94e-07 . . . . 6083 1 53 no REF NP_001013441 . "major prion protein precursor [Canis lupus familiaris]" . . . . . 100.00 257 100.00 100.00 5.82e-07 . . . . 6083 1 54 no REF NP_001040617 . "major prion protein precursor [Macaca mulatta]" . . . . . 100.00 253 100.00 100.00 1.14e-06 . . . . 6083 1 55 no REF NP_001075490 . "major prion protein precursor [Oryctolagus cuniculus]" . . . . . 100.00 254 100.00 100.00 5.99e-07 . . . . 6083 1 56 no REF NP_001137270 . "major prion protein precursor [Equus caballus]" . . . . . 100.00 255 100.00 100.00 5.93e-07 . . . . 6083 1 57 no SP B0FYL5 . "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor [Vulpes lagopus]" . . . . . 100.00 257 100.00 100.00 5.82e-07 . . . . 6083 1 58 no SP O18754 . "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor [Felis catus]" . . . . . 100.00 256 100.00 100.00 1.27e-06 . . . . 6083 1 59 no SP P23907 . "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor [Ovis aries]" . . . . . 100.00 256 100.00 100.00 1.06e-06 . . . . 6083 1 60 no SP P40244 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 100.00 257 100.00 100.00 6.32e-07 . . . . 6083 1 61 no SP P40245 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 100.00 239 100.00 100.00 2.41e-06 . . . . 6083 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Sheep prion protein peptide 135-155 (in human numbering)' common 6083 1 SheepPrP(135-155) abbreviation 6083 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 1 138 SER . 6083 1 2 139 ARG . 6083 1 3 140 PRO . 6083 1 4 141 LEU . 6083 1 5 142 ILE . 6083 1 6 143 HIS . 6083 1 7 144 PHE . 6083 1 8 145 GLY . 6083 1 9 146 ASN . 6083 1 10 147 ASP . 6083 1 11 148 TYR . 6083 1 12 149 GLU . 6083 1 13 150 ASP . 6083 1 14 151 ARG . 6083 1 15 152 TYR . 6083 1 16 153 TYR . 6083 1 17 154 ARG . 6083 1 18 155 GLU . 6083 1 19 156 ASN . 6083 1 20 157 MET . 6083 1 21 158 TYR . 6083 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 6083 1 . ARG 2 2 6083 1 . PRO 3 3 6083 1 . LEU 4 4 6083 1 . ILE 5 5 6083 1 . HIS 6 6 6083 1 . PHE 7 7 6083 1 . GLY 8 8 6083 1 . ASN 9 9 6083 1 . ASP 10 10 6083 1 . TYR 11 11 6083 1 . GLU 12 12 6083 1 . ASP 13 13 6083 1 . ARG 14 14 6083 1 . TYR 15 15 6083 1 . TYR 16 16 6083 1 . ARG 17 17 6083 1 . GLU 18 18 6083 1 . ASN 19 19 6083 1 . MET 20 20 6083 1 . TYR 21 21 6083 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 6083 _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 $SheepPrP(135-155) . 9940 . . 'ovis ovis aries' Sheep . . Eukaryota Metazoa ovis 'ovis aries' . . . . . . . . . . . . . . . . . . . . . 6083 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 6083 _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 $SheepPrP(135-155) . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6083 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6083 _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 'Sheep prion protein peptide 135-155 (in human numbering)' . . . 1 $SheepPrP(135-155) . . 5.0 4.9 5.1 mM . . . . 6083 1 stop_ save_ ####################### # Sample conditions # ####################### save_experimental_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode experimental_conditions _Sample_condition_list.Entry_ID 6083 _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 . . pH 6083 1 temperature . . K 6083 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 6083 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 6083 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 6083 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 6083 _Experiment_list.ID 1 _Experiment_list.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 6083 _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 . . . . . . ppm . . . . . . . . . . . . . 6083 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 6083 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $experimental_conditions _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 . 6083 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.12 0 . 1 . . . . . . . . 6083 1 2 . 1 1 1 1 SER HB2 H 1 3.97 0 . 2 . . . . . . . . 6083 1 3 . 1 1 1 1 SER HB3 H 1 3.90 0 . 2 . . . . . . . . 6083 1 4 . 1 1 2 2 ARG H H 1 8.46 0 . 1 . . . . . . . . 6083 1 5 . 1 1 2 2 ARG HA H 1 4.65 0 . 1 . . . . . . . . 6083 1 6 . 1 1 2 2 ARG HB2 H 1 1.82 0 . 2 . . . . . . . . 6083 1 7 . 1 1 2 2 ARG HB3 H 1 1.72 0 . 2 . . . . . . . . 6083 1 8 . 1 1 2 2 ARG HG2 H 1 1.66 0 . 1 . . . . . . . . 6083 1 9 . 1 1 2 2 ARG HG3 H 1 1.66 0 . 1 . . . . . . . . 6083 1 10 . 1 1 2 2 ARG HD2 H 1 3.17 0 . 1 . . . . . . . . 6083 1 11 . 1 1 2 2 ARG HD3 H 1 3.17 0 . 1 . . . . . . . . 6083 1 12 . 1 1 2 2 ARG HE H 1 7.06 0 . 1 . . . . . . . . 6083 1 13 . 1 1 3 3 PRO HA H 1 4.37 0 . 1 . . . . . . . . 6083 1 14 . 1 1 3 3 PRO HB2 H 1 2.23 0 . 1 . . . . . . . . 6083 1 15 . 1 1 3 3 PRO HB3 H 1 1.81 0 . 1 . . . . . . . . 6083 1 16 . 1 1 3 3 PRO HG2 H 1 1.97 0 . 1 . . . . . . . . 6083 1 17 . 1 1 3 3 PRO HG3 H 1 1.97 0 . 1 . . . . . . . . 6083 1 18 . 1 1 3 3 PRO HD2 H 1 3.77 0 . 2 . . . . . . . . 6083 1 19 . 1 1 3 3 PRO HD3 H 1 3.58 0 . 2 . . . . . . . . 6083 1 20 . 1 1 4 4 LEU H H 1 8.1 0 . 1 . . . . . . . . 6083 1 21 . 1 1 4 4 LEU HA H 1 4.28 0 . 1 . . . . . . . . 6083 1 22 . 1 1 4 4 LEU HB2 H 1 1.52 0 . 1 . . . . . . . . 6083 1 23 . 1 1 4 4 LEU HB3 H 1 1.52 0 . 1 . . . . . . . . 6083 1 24 . 1 1 4 4 LEU HG H 1 1.52 0 . 1 . . . . . . . . 6083 1 25 . 1 1 4 4 LEU HD11 H 1 0.87 0 . 2 . . . . . . . . 6083 1 26 . 1 1 4 4 LEU HD12 H 1 0.87 0 . 2 . . . . . . . . 6083 1 27 . 1 1 4 4 LEU HD13 H 1 0.87 0 . 2 . . . . . . . . 6083 1 28 . 1 1 4 4 LEU HD21 H 1 0.81 0 . 2 . . . . . . . . 6083 1 29 . 1 1 4 4 LEU HD22 H 1 0.81 0 . 2 . . . . . . . . 6083 1 30 . 1 1 4 4 LEU HD23 H 1 0.81 0 . 2 . . . . . . . . 6083 1 31 . 1 1 5 5 ILE H H 1 7.74 0 . 1 . . . . . . . . 6083 1 32 . 1 1 5 5 ILE HA H 1 4.04 0 . 1 . . . . . . . . 6083 1 33 . 1 1 5 5 ILE HB H 1 1.87 0 . 1 . . . . . . . . 6083 1 34 . 1 1 5 5 ILE HG12 H 1 1.28 0 . 2 . . . . . . . . 6083 1 35 . 1 1 5 5 ILE HG13 H 1 1.04 0 . 2 . . . . . . . . 6083 1 36 . 1 1 5 5 ILE HG21 H 1 0.66 0 . 1 . . . . . . . . 6083 1 37 . 1 1 5 5 ILE HG22 H 1 0.66 0 . 1 . . . . . . . . 6083 1 38 . 1 1 5 5 ILE HG23 H 1 0.66 0 . 1 . . . . . . . . 6083 1 39 . 1 1 5 5 ILE HD11 H 1 0.76 0 . 1 . . . . . . . . 6083 1 40 . 1 1 5 5 ILE HD12 H 1 0.76 0 . 1 . . . . . . . . 6083 1 41 . 1 1 5 5 ILE HD13 H 1 0.76 0 . 1 . . . . . . . . 6083 1 42 . 1 1 6 6 HIS H H 1 8.22 0 . 1 . . . . . . . . 6083 1 43 . 1 1 6 6 HIS HA H 1 4.62 0 . 1 . . . . . . . . 6083 1 44 . 1 1 6 6 HIS HB2 H 1 3.08 0 . 2 . . . . . . . . 6083 1 45 . 1 1 6 6 HIS HB3 H 1 3.03 0 . 2 . . . . . . . . 6083 1 46 . 1 1 6 6 HIS HD2 H 1 8.5 0 . 1 . . . . . . . . 6083 1 47 . 1 1 6 6 HIS HE1 H 1 7.15 0 . 1 . . . . . . . . 6083 1 48 . 1 1 7 7 PHE H H 1 8.08 0 . 1 . . . . . . . . 6083 1 49 . 1 1 7 7 PHE HA H 1 4.58 0 . 1 . . . . . . . . 6083 1 50 . 1 1 7 7 PHE HB2 H 1 3.07 0 . 2 . . . . . . . . 6083 1 51 . 1 1 7 7 PHE HB3 H 1 2.93 0 . 2 . . . . . . . . 6083 1 52 . 1 1 7 7 PHE HD1 H 1 7.16 0 . 1 . . . . . . . . 6083 1 53 . 1 1 7 7 PHE HD2 H 1 7.16 0 . 1 . . . . . . . . 6083 1 54 . 1 1 7 7 PHE HE1 H 1 7.27 0 . 1 . . . . . . . . 6083 1 55 . 1 1 7 7 PHE HE2 H 1 7.27 0 . 1 . . . . . . . . 6083 1 56 . 1 1 8 8 GLY H H 1 8.15 0 . 1 . . . . . . . . 6083 1 57 . 1 1 8 8 GLY HA2 H 1 3.89 0 . 1 . . . . . . . . 6083 1 58 . 1 1 8 8 GLY HA3 H 1 3.89 0 . 1 . . . . . . . . 6083 1 59 . 1 1 9 9 ASN H H 1 8.1 0 . 1 . . . . . . . . 6083 1 60 . 1 1 9 9 ASN HA H 1 4.63 0 . 1 . . . . . . . . 6083 1 61 . 1 1 10 10 ASP H H 1 8.23 0 . 1 . . . . . . . . 6083 1 62 . 1 1 10 10 ASP HA H 1 4.62 0 . 1 . . . . . . . . 6083 1 63 . 1 1 10 10 ASP HB2 H 1 2.8 0 . 2 . . . . . . . . 6083 1 64 . 1 1 10 10 ASP HB3 H 1 2.75 0 . 2 . . . . . . . . 6083 1 65 . 1 1 11 11 TYR H H 1 7.93 0 . 1 . . . . . . . . 6083 1 66 . 1 1 11 11 TYR HA H 1 4.4 0 . 1 . . . . . . . . 6083 1 67 . 1 1 11 11 TYR HB2 H 1 2.96 0 . 1 . . . . . . . . 6083 1 68 . 1 1 11 11 TYR HB3 H 1 2.96 0 . 1 . . . . . . . . 6083 1 69 . 1 1 11 11 TYR HD1 H 1 7.04 0 . 1 . . . . . . . . 6083 1 70 . 1 1 11 11 TYR HD2 H 1 7.04 0 . 1 . . . . . . . . 6083 1 71 . 1 1 11 11 TYR HE1 H 1 6.77 0 . 1 . . . . . . . . 6083 1 72 . 1 1 11 11 TYR HE2 H 1 6.77 0 . 1 . . . . . . . . 6083 1 73 . 1 1 12 12 GLU H H 1 7.94 0 . 1 . . . . . . . . 6083 1 74 . 1 1 12 12 GLU HA H 1 4.18 0 . 1 . . . . . . . . 6083 1 75 . 1 1 12 12 GLU HB2 H 1 2.02 0 . 2 . . . . . . . . 6083 1 76 . 1 1 12 12 GLU HB3 H 1 0.89 0 . 2 . . . . . . . . 6083 1 77 . 1 1 12 12 GLU HG2 H 1 2.33 0 . 1 . . . . . . . . 6083 1 78 . 1 1 12 12 GLU HG3 H 1 2.33 0 . 1 . . . . . . . . 6083 1 79 . 1 1 13 13 ASP H H 1 8.02 0 . 1 . . . . . . . . 6083 1 80 . 1 1 13 13 ASP HA H 1 4.56 0 . 1 . . . . . . . . 6083 1 81 . 1 1 13 13 ASP HB2 H 1 2.82 0 . 1 . . . . . . . . 6083 1 82 . 1 1 13 13 ASP HB3 H 1 2.82 0 . 1 . . . . . . . . 6083 1 83 . 1 1 14 14 ARG H H 1 7.86 0 . 1 . . . . . . . . 6083 1 84 . 1 1 14 14 ARG HA H 1 4.13 0 . 1 . . . . . . . . 6083 1 85 . 1 1 14 14 ARG HB2 H 1 1.59 0 . 1 . . . . . . . . 6083 1 86 . 1 1 14 14 ARG HB3 H 1 1.59 0 . 1 . . . . . . . . 6083 1 87 . 1 1 14 14 ARG HG2 H 1 1.35 0 . 1 . . . . . . . . 6083 1 88 . 1 1 14 14 ARG HG3 H 1 1.35 0 . 1 . . . . . . . . 6083 1 89 . 1 1 14 14 ARG HD2 H 1 3.03 0 . 1 . . . . . . . . 6083 1 90 . 1 1 14 14 ARG HD3 H 1 3.03 0 . 1 . . . . . . . . 6083 1 91 . 1 1 14 14 ARG HE H 1 6.93 0 . 1 . . . . . . . . 6083 1 92 . 1 1 15 15 TYR H H 1 7.77 0 . 1 . . . . . . . . 6083 1 93 . 1 1 15 15 TYR HA H 1 4.47 0 . 1 . . . . . . . . 6083 1 94 . 1 1 15 15 TYR HB2 H 1 2.96 0 . 2 . . . . . . . . 6083 1 95 . 1 1 15 15 TYR HB3 H 1 2.81 0 . 2 . . . . . . . . 6083 1 96 . 1 1 15 15 TYR HD1 H 1 6.98 0 . 1 . . . . . . . . 6083 1 97 . 1 1 15 15 TYR HD2 H 1 6.98 0 . 1 . . . . . . . . 6083 1 98 . 1 1 15 15 TYR HE1 H 1 6.74 0 . 1 . . . . . . . . 6083 1 99 . 1 1 15 15 TYR HE2 H 1 6.74 0 . 1 . . . . . . . . 6083 1 100 . 1 1 16 16 TYR H H 1 7.73 0 . 1 . . . . . . . . 6083 1 101 . 1 1 16 16 TYR HA H 1 4.44 0 . 1 . . . . . . . . 6083 1 102 . 1 1 16 16 TYR HB2 H 1 2.96 0 . 2 . . . . . . . . 6083 1 103 . 1 1 16 16 TYR HB3 H 1 2.90 0 . 2 . . . . . . . . 6083 1 104 . 1 1 16 16 TYR HD1 H 1 7.02 0 . 1 . . . . . . . . 6083 1 105 . 1 1 16 16 TYR HD2 H 1 7.02 0 . 1 . . . . . . . . 6083 1 106 . 1 1 16 16 TYR HE1 H 1 6.75 0 . 1 . . . . . . . . 6083 1 107 . 1 1 16 16 TYR HE2 H 1 6.75 0 . 1 . . . . . . . . 6083 1 108 . 1 1 17 17 ARG H H 1 7.83 0 . 1 . . . . . . . . 6083 1 109 . 1 1 17 17 ARG HA H 1 4.18 0 . 1 . . . . . . . . 6083 1 110 . 1 1 17 17 ARG HB2 H 1 1.77 0 . 2 . . . . . . . . 6083 1 111 . 1 1 17 17 ARG HB3 H 1 1.65 0 . 2 . . . . . . . . 6083 1 112 . 1 1 17 17 ARG HG2 H 1 1.49 0 . 1 . . . . . . . . 6083 1 113 . 1 1 17 17 ARG HG3 H 1 1.49 0 . 1 . . . . . . . . 6083 1 114 . 1 1 17 17 ARG HD2 H 1 3.13 0 . 1 . . . . . . . . 6083 1 115 . 1 1 17 17 ARG HD3 H 1 3.13 0 . 1 . . . . . . . . 6083 1 116 . 1 1 17 17 ARG HE H 1 7.02 0 . 1 . . . . . . . . 6083 1 117 . 1 1 18 18 GLU H H 1 7.97 0 . 1 . . . . . . . . 6083 1 118 . 1 1 18 18 GLU HA H 1 4.22 0 . 0 . . . . . . . . 6083 1 119 . 1 1 18 18 GLU HB2 H 1 2.04 0 . 2 . . . . . . . . 6083 1 120 . 1 1 18 18 GLU HB3 H 1 1.93 0 . 2 . . . . . . . . 6083 1 121 . 1 1 18 18 GLU HG2 H 1 2.41 0 . 1 . . . . . . . . 6083 1 122 . 1 1 18 18 GLU HG3 H 1 2.41 0 . 1 . . . . . . . . 6083 1 123 . 1 1 19 19 ASN H H 1 8.16 0 . 1 . . . . . . . . 6083 1 124 . 1 1 19 19 ASN HA H 1 4.59 0 . 1 . . . . . . . . 6083 1 125 . 1 1 19 19 ASN HB2 H 1 2.71 0 . 2 . . . . . . . . 6083 1 126 . 1 1 19 19 ASN HB3 H 1 2.69 0 . 2 . . . . . . . . 6083 1 127 . 1 1 20 20 MET H H 1 7.91 0 . 1 . . . . . . . . 6083 1 128 . 1 1 20 20 MET HA H 1 4.33 0 . 1 . . . . . . . . 6083 1 129 . 1 1 20 20 MET HB2 H 1 1.82 0 . 1 . . . . . . . . 6083 1 130 . 1 1 20 20 MET HB3 H 1 1.82 0 . 1 . . . . . . . . 6083 1 131 . 1 1 20 20 MET HG2 H 1 2.36 0 . 1 . . . . . . . . 6083 1 132 . 1 1 20 20 MET HG3 H 1 2.36 0 . 1 . . . . . . . . 6083 1 133 . 1 1 20 20 MET HE1 H 1 1.88 0 . 1 . . . . . . . . 6083 1 134 . 1 1 20 20 MET HE2 H 1 1.88 0 . 1 . . . . . . . . 6083 1 135 . 1 1 20 20 MET HE3 H 1 1.88 0 . 1 . . . . . . . . 6083 1 136 . 1 1 21 21 TYR H H 1 7.85 0 . 1 . . . . . . . . 6083 1 137 . 1 1 21 21 TYR HA H 1 4.56 0 . 1 . . . . . . . . 6083 1 138 . 1 1 21 21 TYR HB2 H 1 3.12 0 . 2 . . . . . . . . 6083 1 139 . 1 1 21 21 TYR HB3 H 1 2.91 0 . 2 . . . . . . . . 6083 1 140 . 1 1 21 21 TYR HD1 H 1 7.08 0 . 1 . . . . . . . . 6083 1 141 . 1 1 21 21 TYR HD2 H 1 7.08 0 . 1 . . . . . . . . 6083 1 142 . 1 1 21 21 TYR HE1 H 1 6.79 0 . 1 . . . . . . . . 6083 1 143 . 1 1 21 21 TYR HE2 H 1 6.79 0 . 1 . . . . . . . . 6083 1 stop_ save_