data_5988 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5988 _Entry.Title ; 1H Chemical Shift Assignments of alpha-bungarotoxin/nicotinic acetilcholine receptor mimotope complex ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-10-30 _Entry.Accession_date 2003-10-30 _Entry.Last_release_date 2005-11-07 _Entry.Original_release_date 2005-11-07 _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 Arianna Ciutti . . . 5988 2 Ottavia Spiga . . . 5988 3 Andrea Bernini . . . 5988 4 Maria Scarselli . . . 5988 5 Luisa Bracci . . . 5988 6 Luisa Lozzi . . . 5988 7 Barbara Lelli . . . 5988 8 Chiara Falciani . . . 5988 9 Paolo Neri . . . 5988 10 Neri Niccolai . . . 5988 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5988 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 544 5988 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 . . 2005-11-07 2003-10-30 original author . 5988 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4948 'A BUNGAROTOXIN' 5988 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5988 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15178256 _Citation.Full_citation . _Citation.Title 'NMR and MD studies on the interaction between ligand peptides and alpha-bungarotoxin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 339 _Citation.Journal_issue 5 _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 1169 _Citation.Page_last 1177 _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 Andrea Bernini . . . 5988 1 2 Arianna Ciutti . . . 5988 1 3 Ottavia Spiga . . . 5988 1 4 Maria Scarselli . . . 5988 1 5 S. Klein . . . 5988 1 6 S. Vannetti . . . 5988 1 7 Luisa Bracci . . . 5988 1 8 Luisa Lozzi . . . 5988 1 9 Barbara Lelli . . . 5988 1 10 Chiara Falciani . . . 5988 1 11 Paolo Neri . . . 5988 1 12 Neri Niccolai . . . 5988 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'alpha bungarotoxin' 5988 1 'protein-peptide complex' 5988 1 'nAChR mimotope' 5988 1 toxin 5988 1 'beta strand' 5988 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_a-btx-nAChR_mimotope_complex _Assembly.Sf_category assembly _Assembly.Sf_framecode a-btx-nAChR_mimotope_complex _Assembly.Entry_ID 5988 _Assembly.ID 1 _Assembly.Name 'alpha-bungarotoxin/ nicotinic acetylcholine receptor mimotope complex' _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 'all disulfide bound' _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 5988 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 alpha-bungarotoxin 1 $a-btx . . . native . . . . . 5988 1 2 'pDD receptor' 2 $pDD . . . native . . . . . 5988 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . . CYS 3 3 SG . 1 . 1 CYS 23 23 SG . . . . . . . . . . 5988 1 2 disulfide single . 1 . . CYS 29 29 SG . 1 . 1 CYS 33 33 SG . . . . . . . . . . 5988 1 3 disulfide single . 1 . . CYS 16 16 SG . 1 . 1 CYS 44 44 SG . . . . . . . . . . 5988 1 4 disulfide single . 1 . . CYS 48 48 SG . 1 . 1 CYS 59 59 SG . . . . . . . . . . 5988 1 5 disulfide single . 1 . . CYS 60 60 SG . 1 . 1 CYS 65 65 SG . . . . . . . . . . 5988 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 1P67 . . . . . . 5988 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'alpha-bungarotoxin/ nicotinic acetylcholine receptor mimotope complex' system 5988 1 'a-btx/nAChR mimotope complex' abbreviation 5988 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID alpha-neurotoxin 5988 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_a-btx _Entity.Sf_category entity _Entity.Sf_framecode a-btx _Entity.Entry_ID 5988 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name alpha-bungarotoxin _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 ; IVCHTTATSPISAVTCPPGE NLCYRKMWCDAFCSSRGKVV ELGCAATCPSKKPYEEVTCC STDKCNPHPKQRPG ; _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 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7994 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . SWISS-PROT P60616 . 'Alpha-bungarotoxin isoform V31 precursor (Alpha-Bgt(V31)) (Alpha-BTX V31) (BGTX V31) (Long neurotoxin 1)' . . . . . 100.00 95 98.65 98.65 7.23e-36 . . . . 5988 1 . . SWISS-PROT Q7T3J2 . 'Alpha-bungarotoxin, isoform A31 precursor' . . . . . 100.00 95 100.00 100.00 3.01e-36 . . . . 5988 1 . . GenBank AAC83989 . 'alpha-bungarotoxin isoform R1 [Bungarus multicinctus]' . . . . . 100.00 74 98.65 100.00 3.19e-35 . . . . 5988 1 . . SWISS-PROT P60615 . 'Alpha-bungarotoxin isoform A31 precursor (Alpha-Bgt(A31)) (Alpha-BTX A31) (BGTX A31) (Long neurotoxin 1)' . . . . . 100.00 95 100.00 100.00 3.01e-36 . . . . 5988 1 . . GenBank AAC83983 . 'alpha-bungarotoxin isoform R2 [Bungarus multicinctus]' . . . . . 100.00 74 98.65 100.00 3.19e-35 . . . . 5988 1 . . GenBank AAC83984 . 'alpha-bungarotoxin isoform R3 [Bungarus multicinctus]' . . . . . 100.00 74 98.65 100.00 3.19e-35 . . . . 5988 1 . . GenBank AAC83981 . 'alpha-bungarotoxin precursor [Bungarus multicinctus]' . . . . . 100.00 95 100.00 100.00 3.01e-36 . . . . 5988 1 . . GenBank AAC83982 . 'alpha-bungarotoxin [Bungarus multicinctus]' . . . . . 100.00 74 98.65 100.00 3.19e-35 . . . . 5988 1 . . EMBL CAB51842 . 'alpha-bungarotoxin (A31) [Bungarus multicinctus]' . . . . . 100.00 95 100.00 100.00 3.01e-36 . . . . 5988 1 . . EMBL CAB51843 . 'alpha-bungarotoxin (V31) [Bungarus multicinctus]' . . . . . 100.00 95 98.65 98.65 7.23e-36 . . . . 5988 1 . . EMBL CAB50692 . 'snake venom [Bungarus multicinctus]' . . . . . 100.00 95 98.65 98.65 7.42e-36 . . . . 5988 1 . . EMBL CAB51841 . 'alpha-bungarotoxin (V31) [Bungarus multicinctus]' . . . . . 100.00 95 98.65 98.65 7.23e-36 . . . . 5988 1 . . PDB 2QC1 . 'Crystal Structure Of The Extracellular Domain Of The Nicotinic Acetylcholine Receptor 1 Subunit Bound To Alpha- Bungarotoxin At 1.9 A Resolution' . . . . . 100.00 74 98.65 98.65 4.21e-35 . . . . 5988 1 . . EMBL CAA63045 . 'alpha-bungarotoxin [Bungarus multicinctus]' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1RGJ . 'Nmr Structure Of The Complex Between Alpha-Bungarotoxin And Mimotope Of The Nicotinic Acetilcholine Receptor With Enhanced Activity' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 2BTX . 'Solution Nmr Structure Of The Complex Of Alpha-Bungarotoxin With A Library Derived Peptide, Nmr, Minimized Average Structure' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1L4W . 'Nmr Structure Of An Achr-Peptide (Torpedo Californica, Alpha-Subunit Residues 182-202) In Complex With Alpha- Bungarotoxin' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1LJZ . 'Nmr Structure Of An Achr-Peptide (Torpedo Californica, Alpha-Subunit Residues 182-202) In Complex With Alpha- Bungarotoxin' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1KFH . 'Solution Structure Of Alpha-Bungarotoxin By Nmr Spectroscopy' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1KL8 . 'Nmr Structural Analysis Of The Complex Formed Between Alpha- Bungarotoxin And The Principal Alpha-Neurotoxin Binding Sequence On The Alpha7 Subunit Of A Neuronal Nicotinic Acetylcholine Receptor' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1JBD . 'Nmr Structure Of The Complex Between Alpha-Bungarotoxin And A Mimotope Of The Nicotinic Acetilcholine Receptor' . . . . . 98.65 74 100.00 100.00 6.02e-35 . . . . 5988 1 . . PDB 1KC4 . 'Nmr Structural Analysis Of The Complex Formed Between Alpha- Bungarotoxin And The Principal Alpha-Neurotoxin Binding Sequence On The Alpha7 Subunit Of A Neuronal Nicotinic Acetylcholine Receptor' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1IK8 . 'Nmr Structure Of Alpha-Bungarotoxin' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1IKC . 'Nmr Structure Of Alpha-Bungarotoxin' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1IDI . 'The Nmr Solution Structure Of Alpha-Bungarotoxin' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1IDL . 'The Nmr Solution Structure Of Alpha-Bungarotoxin' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1IDG . 'The Nmr Solution Structure Of The Complex Formed Between Alpha-Bungarotoxin And An 18mer Cognate Peptide' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1IDH . 'The Nmr Solution Structure Of The Complex Formed Between Alpha-Bungarotoxin And An 18mer Cognate Peptide' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1HC9 . 'A-Bungarotoxin Complexed With High Affinity Peptide' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1HOY . 'Nmr Structure Of The Complex Between A-Bungarotoxin And A Mimotope Of The Nicotinic Acetilcholine Receptor' . . . . . 98.65 74 100.00 100.00 6.02e-35 . . . . 5988 1 . . PDB 1HAA . 'A Beta-Hairpin Structure In A 13-Mer Peptide That Binds A- Bungarotoxin With High Affinity And Neutralizes Its Toxicity' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1HAJ . 'A Beta-Hairpin Structure In A 13-Mer Peptide That Binds A- Bungarotoxin With High Affinity And Neutralizes Its Toxicity' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1ABT . 'Nmr Solution Structure Of An Alpha-Bungarotoxin(Slash) Nicotinic Receptor Peptide Complex' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . PDB 1BXP . 'Solution Nmr Structure Of The Complex Of Alpha-Bungarotoxin With A Library Derived Peptide, 20 Structures' . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . BMRB 5024 . alpha-neurotoxin . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . BMRB 5025 . alpha-neurotoxin . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . BMRB 4948 . A-BUNGAROTOXIN . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . BMRB 5006 . alpha-bungarotoxin . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . BMRB 15130 . alpha-BTX . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 . . BMRB 4195 . alpha-Bungarotoxin . . . . . 100.00 74 100.00 100.00 1.38e-35 . . . . 5988 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID alpha-bungarotoxin common 5988 1 a-btx abbreviation 5988 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 . ILE . 5988 1 2 . VAL . 5988 1 3 . CYS . 5988 1 4 . HIS . 5988 1 5 . THR . 5988 1 6 . THR . 5988 1 7 . ALA . 5988 1 8 . THR . 5988 1 9 . SER . 5988 1 10 . PRO . 5988 1 11 . ILE . 5988 1 12 . SER . 5988 1 13 . ALA . 5988 1 14 . VAL . 5988 1 15 . THR . 5988 1 16 . CYS . 5988 1 17 . PRO . 5988 1 18 . PRO . 5988 1 19 . GLY . 5988 1 20 . GLU . 5988 1 21 . ASN . 5988 1 22 . LEU . 5988 1 23 . CYS . 5988 1 24 . TYR . 5988 1 25 . ARG . 5988 1 26 . LYS . 5988 1 27 . MET . 5988 1 28 . TRP . 5988 1 29 . CYS . 5988 1 30 . ASP . 5988 1 31 . ALA . 5988 1 32 . PHE . 5988 1 33 . CYS . 5988 1 34 . SER . 5988 1 35 . SER . 5988 1 36 . ARG . 5988 1 37 . GLY . 5988 1 38 . LYS . 5988 1 39 . VAL . 5988 1 40 . VAL . 5988 1 41 . GLU . 5988 1 42 . LEU . 5988 1 43 . GLY . 5988 1 44 . CYS . 5988 1 45 . ALA . 5988 1 46 . ALA . 5988 1 47 . THR . 5988 1 48 . CYS . 5988 1 49 . PRO . 5988 1 50 . SER . 5988 1 51 . LYS . 5988 1 52 . LYS . 5988 1 53 . PRO . 5988 1 54 . TYR . 5988 1 55 . GLU . 5988 1 56 . GLU . 5988 1 57 . VAL . 5988 1 58 . THR . 5988 1 59 . CYS . 5988 1 60 . CYS . 5988 1 61 . SER . 5988 1 62 . THR . 5988 1 63 . ASP . 5988 1 64 . LYS . 5988 1 65 . CYS . 5988 1 66 . ASN . 5988 1 67 . PRO . 5988 1 68 . HIS . 5988 1 69 . PRO . 5988 1 70 . LYS . 5988 1 71 . GLN . 5988 1 72 . ARG . 5988 1 73 . PRO . 5988 1 74 . GLY . 5988 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 . ILE 1 1 5988 1 . VAL 2 2 5988 1 . CYS 3 3 5988 1 . HIS 4 4 5988 1 . THR 5 5 5988 1 . THR 6 6 5988 1 . ALA 7 7 5988 1 . THR 8 8 5988 1 . SER 9 9 5988 1 . PRO 10 10 5988 1 . ILE 11 11 5988 1 . SER 12 12 5988 1 . ALA 13 13 5988 1 . VAL 14 14 5988 1 . THR 15 15 5988 1 . CYS 16 16 5988 1 . PRO 17 17 5988 1 . PRO 18 18 5988 1 . GLY 19 19 5988 1 . GLU 20 20 5988 1 . ASN 21 21 5988 1 . LEU 22 22 5988 1 . CYS 23 23 5988 1 . TYR 24 24 5988 1 . ARG 25 25 5988 1 . LYS 26 26 5988 1 . MET 27 27 5988 1 . TRP 28 28 5988 1 . CYS 29 29 5988 1 . ASP 30 30 5988 1 . ALA 31 31 5988 1 . PHE 32 32 5988 1 . CYS 33 33 5988 1 . SER 34 34 5988 1 . SER 35 35 5988 1 . ARG 36 36 5988 1 . GLY 37 37 5988 1 . LYS 38 38 5988 1 . VAL 39 39 5988 1 . VAL 40 40 5988 1 . GLU 41 41 5988 1 . LEU 42 42 5988 1 . GLY 43 43 5988 1 . CYS 44 44 5988 1 . ALA 45 45 5988 1 . ALA 46 46 5988 1 . THR 47 47 5988 1 . CYS 48 48 5988 1 . PRO 49 49 5988 1 . SER 50 50 5988 1 . LYS 51 51 5988 1 . LYS 52 52 5988 1 . PRO 53 53 5988 1 . TYR 54 54 5988 1 . GLU 55 55 5988 1 . GLU 56 56 5988 1 . VAL 57 57 5988 1 . THR 58 58 5988 1 . CYS 59 59 5988 1 . CYS 60 60 5988 1 . SER 61 61 5988 1 . THR 62 62 5988 1 . ASP 63 63 5988 1 . LYS 64 64 5988 1 . CYS 65 65 5988 1 . ASN 66 66 5988 1 . PRO 67 67 5988 1 . HIS 68 68 5988 1 . PRO 69 69 5988 1 . LYS 70 70 5988 1 . GLN 71 71 5988 1 . ARG 72 72 5988 1 . PRO 73 73 5988 1 . GLY 74 74 5988 1 stop_ save_ save_pDD _Entity.Sf_category entity _Entity.Sf_framecode pDD _Entity.Entry_ID 5988 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'mimotope of the nicotinic acetylcholine receptor' _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 FRYYESSLEPWDD _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 13 _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 1707 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2005-11-22 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 . . BMRB 5988 . 'mimotope of the nicotinic acetylcholine receptor' . . . . . 100.00 13 100 100 1.2 . . . . 5988 2 . . PDB 1RGJ . 'B Chain B, Nmr Structure Of The ComplexBetween Alpha-Bungarotoxin And Mimotope Of TheNicotinic Acetilcholine Receptor With Enhanced Activity' . . . . . 100.00 13 100 100 1.2 . . . . 5988 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'mimotope of the nicotinic acetylcholine receptor' common 5988 2 pDD abbreviation 5988 2 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 . PHE . 5988 2 2 . ARG . 5988 2 3 . TYR . 5988 2 4 . TYR . 5988 2 5 . GLU . 5988 2 6 . SER . 5988 2 7 . SER . 5988 2 8 . LEU . 5988 2 9 . GLU . 5988 2 10 . PRO . 5988 2 11 . TRP . 5988 2 12 . ASP . 5988 2 13 . ASP . 5988 2 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 . PHE 1 1 5988 2 . ARG 2 2 5988 2 . TYR 3 3 5988 2 . TYR 4 4 5988 2 . GLU 5 5 5988 2 . SER 6 6 5988 2 . SER 7 7 5988 2 . LEU 8 8 5988 2 . GLU 9 9 5988 2 . PRO 10 10 5988 2 . TRP 11 11 5988 2 . ASP 12 12 5988 2 . ASP 13 13 5988 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5988 _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 $a-btx . 8616 . . 'Bungarus multicinctus' cobra . . Eubacteria Metazoa Bungarus multicinctus . . . . . . . . . . . . . venom . . . . . . . 5988 1 2 2 $pDD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5988 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 5988 _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 $a-btx . vendor . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5988 1 2 2 $pDD . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5988 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5988 _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 alpha-bungarotoxin . . . 1 $a-btx . . 0.5 . . mM . . . . 5988 1 2 'mimotope of the nicotinic acetylcholine receptor' . . . 2 $pDD . . 0.5 . . mM . . . . 5988 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond _Sample_condition_list.Entry_ID 5988 _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 5.7 0.1 n/a 5988 1 temperature 303 1 K 5988 1 stop_ save_ ############################ # Computer software used # ############################ save_XwinNMR _Software.Sf_category software _Software.Sf_framecode XwinNMR _Software.Entry_ID 5988 _Software.ID 1 _Software.Name XwinNMR _Software.Version 2.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 5988 1 'data processing' 5988 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 5988 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Advance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5988 _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 Advance . 600 . . . 5988 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 5988 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5988 1 2 '1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5988 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 5988 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5988 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '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 5988 _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 . . . . . . . . . 5988 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 5988 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond _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 . 5988 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 ILE HA H 1 4.170 0.01 . 1 . . . . . . . . 5988 1 2 . 1 1 1 1 ILE HB H 1 1.860 0.01 . 1 . . . . . . . . 5988 1 3 . 1 1 1 1 ILE HG12 H 1 1.180 0.01 . 1 . . . . . . . . 5988 1 4 . 1 1 1 1 ILE HG13 H 1 1.180 0.01 . 1 . . . . . . . . 5988 1 5 . 1 1 1 1 ILE HD11 H 1 0.730 0.01 . 1 . . . . . . . . 5988 1 6 . 1 1 1 1 ILE HD12 H 1 0.730 0.01 . 1 . . . . . . . . 5988 1 7 . 1 1 1 1 ILE HD13 H 1 0.730 0.01 . 1 . . . . . . . . 5988 1 8 . 1 1 1 1 ILE HG21 H 1 0.870 0.01 . 1 . . . . . . . . 5988 1 9 . 1 1 1 1 ILE HG22 H 1 0.870 0.01 . 1 . . . . . . . . 5988 1 10 . 1 1 1 1 ILE HG23 H 1 0.870 0.01 . 1 . . . . . . . . 5988 1 11 . 1 1 2 2 VAL H H 1 8.090 0.01 . 1 . . . . . . . . 5988 1 12 . 1 1 2 2 VAL HA H 1 4.990 0.01 . 1 . . . . . . . . 5988 1 13 . 1 1 2 2 VAL HB H 1 1.540 0.01 . 1 . . . . . . . . 5988 1 14 . 1 1 2 2 VAL HG21 H 1 0.570 0.01 . 2 . . . . . . . . 5988 1 15 . 1 1 2 2 VAL HG22 H 1 0.570 0.01 . 2 . . . . . . . . 5988 1 16 . 1 1 2 2 VAL HG23 H 1 0.570 0.01 . 2 . . . . . . . . 5988 1 17 . 1 1 2 2 VAL HG11 H 1 0.850 0.01 . 2 . . . . . . . . 5988 1 18 . 1 1 2 2 VAL HG12 H 1 0.850 0.01 . 2 . . . . . . . . 5988 1 19 . 1 1 2 2 VAL HG13 H 1 0.850 0.01 . 2 . . . . . . . . 5988 1 20 . 1 1 3 3 CYS H H 1 8.750 0.01 . 1 . . . . . . . . 5988 1 21 . 1 1 3 3 CYS HA H 1 5.050 0.01 . 1 . . . . . . . . 5988 1 22 . 1 1 3 3 CYS HB3 H 1 2.450 0.01 . 2 . . . . . . . . 5988 1 23 . 1 1 3 3 CYS HB2 H 1 2.970 0.01 . 2 . . . . . . . . 5988 1 24 . 1 1 4 4 HIS H H 1 9.190 0.01 . 1 . . . . . . . . 5988 1 25 . 1 1 4 4 HIS HA H 1 5.070 0.01 . 1 . . . . . . . . 5988 1 26 . 1 1 4 4 HIS HB3 H 1 2.530 0.01 . 2 . . . . . . . . 5988 1 27 . 1 1 4 4 HIS HB2 H 1 2.740 0.01 . 2 . . . . . . . . 5988 1 28 . 1 1 4 4 HIS HD2 H 1 8.750 0.01 . 3 . . . . . . . . 5988 1 29 . 1 1 4 4 HIS HE2 H 1 8.750 0.01 . 3 . . . . . . . . 5988 1 30 . 1 1 4 4 HIS HE1 H 1 7.810 0.01 . 3 . . . . . . . . 5988 1 31 . 1 1 4 4 HIS HD1 H 1 7.810 0.01 . 3 . . . . . . . . 5988 1 32 . 1 1 5 5 THR H H 1 9.010 0.01 . 1 . . . . . . . . 5988 1 33 . 1 1 5 5 THR HA H 1 5.280 0.01 . 1 . . . . . . . . 5988 1 34 . 1 1 5 5 THR HB H 1 4.020 0.01 . 1 . . . . . . . . 5988 1 35 . 1 1 5 5 THR HG21 H 1 1.360 0.01 . 1 . . . . . . . . 5988 1 36 . 1 1 5 5 THR HG22 H 1 1.360 0.01 . 1 . . . . . . . . 5988 1 37 . 1 1 5 5 THR HG23 H 1 1.360 0.01 . 1 . . . . . . . . 5988 1 38 . 1 1 5 5 THR HG1 H 1 6.340 0.01 . 1 . . . . . . . . 5988 1 39 . 1 1 6 6 THR H H 1 8.120 0.01 . 1 . . . . . . . . 5988 1 40 . 1 1 6 6 THR HA H 1 4.540 0.01 . 1 . . . . . . . . 5988 1 41 . 1 1 6 6 THR HB H 1 5.210 0.01 . 1 . . . . . . . . 5988 1 42 . 1 1 6 6 THR HG21 H 1 1.630 0.01 . 1 . . . . . . . . 5988 1 43 . 1 1 6 6 THR HG22 H 1 1.630 0.01 . 1 . . . . . . . . 5988 1 44 . 1 1 6 6 THR HG23 H 1 1.630 0.01 . 1 . . . . . . . . 5988 1 45 . 1 1 6 6 THR HG1 H 1 6.740 0.01 . 1 . . . . . . . . 5988 1 46 . 1 1 7 7 ALA H H 1 9.290 0.01 . 1 . . . . . . . . 5988 1 47 . 1 1 7 7 ALA HA H 1 4.580 0.01 . 1 . . . . . . . . 5988 1 48 . 1 1 7 7 ALA HB1 H 1 1.400 0.01 . 1 . . . . . . . . 5988 1 49 . 1 1 7 7 ALA HB2 H 1 1.400 0.01 . 1 . . . . . . . . 5988 1 50 . 1 1 7 7 ALA HB3 H 1 1.400 0.01 . 1 . . . . . . . . 5988 1 51 . 1 1 8 8 THR H H 1 7.070 0.01 . 1 . . . . . . . . 5988 1 52 . 1 1 8 8 THR HA H 1 4.420 0.01 . 1 . . . . . . . . 5988 1 53 . 1 1 8 8 THR HB H 1 4.260 0.01 . 1 . . . . . . . . 5988 1 54 . 1 1 8 8 THR HG21 H 1 1.220 0.01 . 1 . . . . . . . . 5988 1 55 . 1 1 8 8 THR HG22 H 1 1.220 0.01 . 1 . . . . . . . . 5988 1 56 . 1 1 8 8 THR HG23 H 1 1.220 0.01 . 1 . . . . . . . . 5988 1 57 . 1 1 8 8 THR HG1 H 1 6.990 0.01 . 1 . . . . . . . . 5988 1 58 . 1 1 9 9 SER H H 1 8.270 0.01 . 1 . . . . . . . . 5988 1 59 . 1 1 9 9 SER HA H 1 4.800 0.01 . 1 . . . . . . . . 5988 1 60 . 1 1 9 9 SER HB3 H 1 3.920 0.01 . 1 . . . . . . . . 5988 1 61 . 1 1 9 9 SER HB2 H 1 3.920 0.01 . 1 . . . . . . . . 5988 1 62 . 1 1 10 10 PRO HA H 1 4.930 0.01 . 1 . . . . . . . . 5988 1 63 . 1 1 10 10 PRO HB3 H 1 2.190 0.01 . 2 . . . . . . . . 5988 1 64 . 1 1 10 10 PRO HB2 H 1 2.530 0.01 . 2 . . . . . . . . 5988 1 65 . 1 1 10 10 PRO HG3 H 1 1.930 0.01 . 1 . . . . . . . . 5988 1 66 . 1 1 10 10 PRO HG2 H 1 1.930 0.01 . 1 . . . . . . . . 5988 1 67 . 1 1 10 10 PRO HD3 H 1 3.480 0.01 . 2 . . . . . . . . 5988 1 68 . 1 1 10 10 PRO HD2 H 1 3.620 0.01 . 2 . . . . . . . . 5988 1 69 . 1 1 11 11 ILE H H 1 8.650 0.01 . 1 . . . . . . . . 5988 1 70 . 1 1 11 11 ILE HA H 1 3.850 0.01 . 1 . . . . . . . . 5988 1 71 . 1 1 11 11 ILE HB H 1 1.480 0.01 . 1 . . . . . . . . 5988 1 72 . 1 1 11 11 ILE HG12 H 1 0.300 0.01 . 1 . . . . . . . . 5988 1 73 . 1 1 11 11 ILE HG13 H 1 0.360 0.01 . 1 . . . . . . . . 5988 1 74 . 1 1 11 11 ILE HD11 H 1 0.780 0.01 . 1 . . . . . . . . 5988 1 75 . 1 1 11 11 ILE HD12 H 1 0.780 0.01 . 1 . . . . . . . . 5988 1 76 . 1 1 11 11 ILE HD13 H 1 0.780 0.01 . 1 . . . . . . . . 5988 1 77 . 1 1 11 11 ILE HG21 H 1 0.890 0.01 . 1 . . . . . . . . 5988 1 78 . 1 1 11 11 ILE HG22 H 1 0.890 0.01 . 1 . . . . . . . . 5988 1 79 . 1 1 11 11 ILE HG23 H 1 0.890 0.01 . 1 . . . . . . . . 5988 1 80 . 1 1 12 12 SER H H 1 7.560 0.01 . 1 . . . . . . . . 5988 1 81 . 1 1 12 12 SER HA H 1 4.940 0.01 . 1 . . . . . . . . 5988 1 82 . 1 1 12 12 SER HB3 H 1 3.860 0.01 . 1 . . . . . . . . 5988 1 83 . 1 1 12 12 SER HB2 H 1 3.860 0.01 . 1 . . . . . . . . 5988 1 84 . 1 1 13 13 ALA H H 1 8.200 0.01 . 1 . . . . . . . . 5988 1 85 . 1 1 13 13 ALA HA H 1 5.110 0.01 . 1 . . . . . . . . 5988 1 86 . 1 1 13 13 ALA HB1 H 1 0.890 0.01 . 1 . . . . . . . . 5988 1 87 . 1 1 13 13 ALA HB2 H 1 0.890 0.01 . 1 . . . . . . . . 5988 1 88 . 1 1 13 13 ALA HB3 H 1 0.890 0.01 . 1 . . . . . . . . 5988 1 89 . 1 1 14 14 VAL H H 1 8.890 0.01 . 1 . . . . . . . . 5988 1 90 . 1 1 14 14 VAL HA H 1 4.660 0.01 . 1 . . . . . . . . 5988 1 91 . 1 1 14 14 VAL HB H 1 2.070 0.01 . 1 . . . . . . . . 5988 1 92 . 1 1 14 14 VAL HG21 H 1 0.860 0.01 . 2 . . . . . . . . 5988 1 93 . 1 1 14 14 VAL HG22 H 1 0.860 0.01 . 2 . . . . . . . . 5988 1 94 . 1 1 14 14 VAL HG23 H 1 0.860 0.01 . 2 . . . . . . . . 5988 1 95 . 1 1 15 15 THR H H 1 8.480 0.01 . 1 . . . . . . . . 5988 1 96 . 1 1 15 15 THR HA H 1 4.450 0.01 . 1 . . . . . . . . 5988 1 97 . 1 1 15 15 THR HB H 1 4.010 0.01 . 1 . . . . . . . . 5988 1 98 . 1 1 15 15 THR HG21 H 1 1.240 0.01 . 1 . . . . . . . . 5988 1 99 . 1 1 15 15 THR HG22 H 1 1.240 0.01 . 1 . . . . . . . . 5988 1 100 . 1 1 15 15 THR HG23 H 1 1.240 0.01 . 1 . . . . . . . . 5988 1 101 . 1 1 16 16 CYS H H 1 8.830 0.01 . 1 . . . . . . . . 5988 1 102 . 1 1 16 16 CYS HA H 1 4.990 0.01 . 1 . . . . . . . . 5988 1 103 . 1 1 16 16 CYS HB3 H 1 2.990 0.01 . 2 . . . . . . . . 5988 1 104 . 1 1 16 16 CYS HB2 H 1 3.380 0.01 . 2 . . . . . . . . 5988 1 105 . 1 1 17 17 PRO HA H 1 4.710 0.01 . 1 . . . . . . . . 5988 1 106 . 1 1 17 17 PRO HB3 H 1 1.770 0.01 . 2 . . . . . . . . 5988 1 107 . 1 1 17 17 PRO HB2 H 1 2.390 0.01 . 2 . . . . . . . . 5988 1 108 . 1 1 17 17 PRO HG3 H 1 1.900 0.01 . 2 . . . . . . . . 5988 1 109 . 1 1 17 17 PRO HG2 H 1 2.020 0.01 . 2 . . . . . . . . 5988 1 110 . 1 1 17 17 PRO HD3 H 1 3.770 0.01 . 2 . . . . . . . . 5988 1 111 . 1 1 17 17 PRO HD2 H 1 3.930 0.01 . 2 . . . . . . . . 5988 1 112 . 1 1 18 18 PRO HA H 1 4.290 0.01 . 1 . . . . . . . . 5988 1 113 . 1 1 18 18 PRO HB3 H 1 2.320 0.01 . 2 . . . . . . . . 5988 1 114 . 1 1 18 18 PRO HB2 H 1 2.150 0.01 . 2 . . . . . . . . 5988 1 115 . 1 1 18 18 PRO HG3 H 1 2.020 0.01 . 1 . . . . . . . . 5988 1 116 . 1 1 18 18 PRO HG2 H 1 2.020 0.01 . 1 . . . . . . . . 5988 1 117 . 1 1 18 18 PRO HD3 H 1 3.870 0.01 . 2 . . . . . . . . 5988 1 118 . 1 1 18 18 PRO HD2 H 1 3.590 0.01 . 2 . . . . . . . . 5988 1 119 . 1 1 19 19 GLY H H 1 8.730 0.01 . 1 . . . . . . . . 5988 1 120 . 1 1 19 19 GLY HA3 H 1 3.680 0.01 . 2 . . . . . . . . 5988 1 121 . 1 1 19 19 GLY HA2 H 1 4.290 0.01 . 2 . . . . . . . . 5988 1 122 . 1 1 20 20 GLU H H 1 7.880 0.01 . 1 . . . . . . . . 5988 1 123 . 1 1 20 20 GLU HA H 1 4.290 0.01 . 1 . . . . . . . . 5988 1 124 . 1 1 20 20 GLU HB3 H 1 2.130 0.01 . 1 . . . . . . . . 5988 1 125 . 1 1 20 20 GLU HB2 H 1 2.130 0.01 . 1 . . . . . . . . 5988 1 126 . 1 1 20 20 GLU HG3 H 1 1.630 0.01 . 2 . . . . . . . . 5988 1 127 . 1 1 20 20 GLU HG2 H 1 1.870 0.01 . 2 . . . . . . . . 5988 1 128 . 1 1 21 21 ASN H H 1 7.760 0.01 . 1 . . . . . . . . 5988 1 129 . 1 1 21 21 ASN HA H 1 4.980 0.01 . 1 . . . . . . . . 5988 1 130 . 1 1 21 21 ASN HB3 H 1 2.680 0.01 . 2 . . . . . . . . 5988 1 131 . 1 1 21 21 ASN HB2 H 1 3.010 0.01 . 2 . . . . . . . . 5988 1 132 . 1 1 21 21 ASN HD21 H 1 6.970 0.01 . 2 . . . . . . . . 5988 1 133 . 1 1 21 21 ASN HD22 H 1 7.420 0.01 . 2 . . . . . . . . 5988 1 134 . 1 1 22 22 LEU H H 1 8.320 0.01 . 1 . . . . . . . . 5988 1 135 . 1 1 22 22 LEU HA H 1 5.000 0.01 . 1 . . . . . . . . 5988 1 136 . 1 1 22 22 LEU HB3 H 1 1.500 0.01 . 2 . . . . . . . . 5988 1 137 . 1 1 22 22 LEU HB2 H 1 1.720 0.01 . 2 . . . . . . . . 5988 1 138 . 1 1 22 22 LEU HG H 1 1.590 0.01 . 1 . . . . . . . . 5988 1 139 . 1 1 22 22 LEU HD11 H 1 0.720 0.01 . 2 . . . . . . . . 5988 1 140 . 1 1 22 22 LEU HD12 H 1 0.720 0.01 . 2 . . . . . . . . 5988 1 141 . 1 1 22 22 LEU HD13 H 1 0.720 0.01 . 2 . . . . . . . . 5988 1 142 . 1 1 22 22 LEU HD21 H 1 0.790 0.01 . 2 . . . . . . . . 5988 1 143 . 1 1 22 22 LEU HD22 H 1 0.790 0.01 . 2 . . . . . . . . 5988 1 144 . 1 1 22 22 LEU HD23 H 1 0.790 0.01 . 2 . . . . . . . . 5988 1 145 . 1 1 23 23 CYS H H 1 8.730 0.01 . 1 . . . . . . . . 5988 1 146 . 1 1 23 23 CYS HA H 1 5.950 0.01 . 1 . . . . . . . . 5988 1 147 . 1 1 23 23 CYS HB3 H 1 2.840 0.01 . 2 . . . . . . . . 5988 1 148 . 1 1 23 23 CYS HB2 H 1 3.240 0.01 . 2 . . . . . . . . 5988 1 149 . 1 1 24 24 TYR H H 1 9.000 0.01 . 1 . . . . . . . . 5988 1 150 . 1 1 24 24 TYR HA H 1 6.030 0.01 . 1 . . . . . . . . 5988 1 151 . 1 1 24 24 TYR HB3 H 1 2.680 0.01 . 2 . . . . . . . . 5988 1 152 . 1 1 24 24 TYR HB2 H 1 2.990 0.01 . 2 . . . . . . . . 5988 1 153 . 1 1 24 24 TYR HD1 H 1 6.680 0.01 . 1 . . . . . . . . 5988 1 154 . 1 1 24 24 TYR HE1 H 1 6.760 0.01 . 1 . . . . . . . . 5988 1 155 . 1 1 24 24 TYR HE2 H 1 6.760 0.01 . 1 . . . . . . . . 5988 1 156 . 1 1 24 24 TYR HD2 H 1 6.680 0.01 . 1 . . . . . . . . 5988 1 157 . 1 1 25 25 ARG H H 1 9.020 0.01 . 1 . . . . . . . . 5988 1 158 . 1 1 25 25 ARG HA H 1 5.280 0.01 . 1 . . . . . . . . 5988 1 159 . 1 1 25 25 ARG HB3 H 1 1.370 0.01 . 2 . . . . . . . . 5988 1 160 . 1 1 25 25 ARG HB2 H 1 1.640 0.01 . 2 . . . . . . . . 5988 1 161 . 1 1 25 25 ARG HG3 H 1 1.700 0.01 . 1 . . . . . . . . 5988 1 162 . 1 1 25 25 ARG HG2 H 1 1.700 0.01 . 1 . . . . . . . . 5988 1 163 . 1 1 25 25 ARG HD3 H 1 3.250 0.01 . 2 . . . . . . . . 5988 1 164 . 1 1 26 26 LYS H H 1 9.950 0.01 . 1 . . . . . . . . 5988 1 165 . 1 1 26 26 LYS HA H 1 5.810 0.01 . 1 . . . . . . . . 5988 1 166 . 1 1 26 26 LYS HB3 H 1 1.600 0.01 . 1 . . . . . . . . 5988 1 167 . 1 1 26 26 LYS HB2 H 1 1.600 0.01 . 1 . . . . . . . . 5988 1 168 . 1 1 26 26 LYS HG3 H 1 2.140 0.01 . 1 . . . . . . . . 5988 1 169 . 1 1 26 26 LYS HG2 H 1 2.140 0.01 . 1 . . . . . . . . 5988 1 170 . 1 1 26 26 LYS HD3 H 1 1.900 0.01 . 1 . . . . . . . . 5988 1 171 . 1 1 26 26 LYS HD2 H 1 1.900 0.01 . 1 . . . . . . . . 5988 1 172 . 1 1 26 26 LYS HE3 H 1 2.550 0.01 . 1 . . . . . . . . 5988 1 173 . 1 1 26 26 LYS HE2 H 1 2.550 0.01 . 1 . . . . . . . . 5988 1 174 . 1 1 27 27 MET H H 1 9.200 0.01 . 1 . . . . . . . . 5988 1 175 . 1 1 27 27 MET HA H 1 6.220 0.01 . 1 . . . . . . . . 5988 1 176 . 1 1 27 27 MET HB3 H 1 1.960 0.01 . 2 . . . . . . . . 5988 1 177 . 1 1 27 27 MET HB2 H 1 2.020 0.01 . 2 . . . . . . . . 5988 1 178 . 1 1 27 27 MET HG3 H 1 2.400 0.01 . 2 . . . . . . . . 5988 1 179 . 1 1 27 27 MET HG2 H 1 2.720 0.01 . 2 . . . . . . . . 5988 1 180 . 1 1 27 27 MET HE1 H 1 1.980 0.01 . 1 . . . . . . . . 5988 1 181 . 1 1 27 27 MET HE2 H 1 1.980 0.01 . 1 . . . . . . . . 5988 1 182 . 1 1 27 27 MET HE3 H 1 1.980 0.01 . 1 . . . . . . . . 5988 1 183 . 1 1 28 28 TRP H H 1 7.960 0.01 . 1 . . . . . . . . 5988 1 184 . 1 1 28 28 TRP HA H 1 5.160 0.01 . 1 . . . . . . . . 5988 1 185 . 1 1 28 28 TRP HB3 H 1 3.480 0.01 . 2 . . . . . . . . 5988 1 186 . 1 1 28 28 TRP HB2 H 1 3.750 0.01 . 2 . . . . . . . . 5988 1 187 . 1 1 28 28 TRP HD1 H 1 6.960 0.01 . 1 . . . . . . . . 5988 1 188 . 1 1 28 28 TRP HE1 H 1 7.570 0.01 . 3 . . . . . . . . 5988 1 189 . 1 1 28 28 TRP HZ2 H 1 7.270 0.01 . 3 . . . . . . . . 5988 1 190 . 1 1 28 28 TRP HH2 H 1 9.540 0.01 . 1 . . . . . . . . 5988 1 191 . 1 1 28 28 TRP HZ3 H 1 7.270 0.01 . 3 . . . . . . . . 5988 1 192 . 1 1 29 29 CYS H H 1 9.550 0.01 . 1 . . . . . . . . 5988 1 193 . 1 1 29 29 CYS HA H 1 5.380 0.01 . 1 . . . . . . . . 5988 1 194 . 1 1 29 29 CYS HB3 H 1 3.060 0.01 . 2 . . . . . . . . 5988 1 195 . 1 1 29 29 CYS HB2 H 1 3.430 0.01 . 2 . . . . . . . . 5988 1 196 . 1 1 30 30 ASP H H 1 9.370 0.01 . 1 . . . . . . . . 5988 1 197 . 1 1 30 30 ASP HA H 1 4.970 0.01 . 1 . . . . . . . . 5988 1 198 . 1 1 30 30 ASP HB3 H 1 2.630 0.01 . 2 . . . . . . . . 5988 1 199 . 1 1 30 30 ASP HB2 H 1 3.010 0.01 . 2 . . . . . . . . 5988 1 200 . 1 1 31 31 ALA H H 1 8.120 0.01 . 1 . . . . . . . . 5988 1 201 . 1 1 31 31 ALA HA H 1 4.030 0.01 . 1 . . . . . . . . 5988 1 202 . 1 1 31 31 ALA HB1 H 1 1.030 0.01 . 1 . . . . . . . . 5988 1 203 . 1 1 31 31 ALA HB2 H 1 1.030 0.01 . 1 . . . . . . . . 5988 1 204 . 1 1 31 31 ALA HB3 H 1 1.030 0.01 . 1 . . . . . . . . 5988 1 205 . 1 1 32 32 PHE H H 1 8.780 0.01 . 1 . . . . . . . . 5988 1 206 . 1 1 32 32 PHE HA H 1 4.880 0.01 . 1 . . . . . . . . 5988 1 207 . 1 1 32 32 PHE HB3 H 1 3.240 0.01 . 2 . . . . . . . . 5988 1 208 . 1 1 32 32 PHE HB2 H 1 2.850 0.01 . 2 . . . . . . . . 5988 1 209 . 1 1 32 32 PHE HD1 H 1 5.910 0.01 . 1 . . . . . . . . 5988 1 210 . 1 1 32 32 PHE HD2 H 1 5.910 0.01 . 1 . . . . . . . . 5988 1 211 . 1 1 33 33 CYS H H 1 7.890 0.01 . 1 . . . . . . . . 5988 1 212 . 1 1 33 33 CYS HA H 1 4.280 0.01 . 1 . . . . . . . . 5988 1 213 . 1 1 33 33 CYS HB3 H 1 4.020 0.01 . 2 . . . . . . . . 5988 1 214 . 1 1 33 33 CYS HB2 H 1 4.130 0.01 . 2 . . . . . . . . 5988 1 215 . 1 1 34 34 SER H H 1 8.800 0.01 . 1 . . . . . . . . 5988 1 216 . 1 1 34 34 SER HA H 1 4.260 0.01 . 1 . . . . . . . . 5988 1 217 . 1 1 34 34 SER HB3 H 1 3.950 0.01 . 1 . . . . . . . . 5988 1 218 . 1 1 34 34 SER HB2 H 1 3.950 0.01 . 1 . . . . . . . . 5988 1 219 . 1 1 35 35 SER H H 1 7.750 0.01 . 1 . . . . . . . . 5988 1 220 . 1 1 35 35 SER HA H 1 4.760 0.01 . 1 . . . . . . . . 5988 1 221 . 1 1 35 35 SER HB3 H 1 3.800 0.01 . 2 . . . . . . . . 5988 1 222 . 1 1 35 35 SER HB2 H 1 3.700 0.01 . 2 . . . . . . . . 5988 1 223 . 1 1 36 36 ARG H H 1 8.240 0.01 . 1 . . . . . . . . 5988 1 224 . 1 1 36 36 ARG HA H 1 4.630 0.01 . 1 . . . . . . . . 5988 1 225 . 1 1 36 36 ARG HB3 H 1 1.910 0.01 . 1 . . . . . . . . 5988 1 226 . 1 1 36 36 ARG HB2 H 1 1.910 0.01 . 1 . . . . . . . . 5988 1 227 . 1 1 36 36 ARG HG3 H 1 1.750 0.01 . 1 . . . . . . . . 5988 1 228 . 1 1 36 36 ARG HG2 H 1 1.750 0.01 . 1 . . . . . . . . 5988 1 229 . 1 1 36 36 ARG HD3 H 1 3.250 0.01 . 1 . . . . . . . . 5988 1 230 . 1 1 36 36 ARG HD2 H 1 3.250 0.01 . 1 . . . . . . . . 5988 1 231 . 1 1 36 36 ARG HE H 1 7.500 0.01 . 1 . . . . . . . . 5988 1 232 . 1 1 36 36 ARG HH21 H 1 7.180 0.01 . 1 . . . . . . . . 5988 1 233 . 1 1 37 37 GLY H H 1 7.470 0.01 . 1 . . . . . . . . 5988 1 234 . 1 1 37 37 GLY HA3 H 1 3.900 0.01 . 2 . . . . . . . . 5988 1 235 . 1 1 37 37 GLY HA2 H 1 4.540 0.01 . 2 . . . . . . . . 5988 1 236 . 1 1 38 38 LYS H H 1 9.700 0.01 . 1 . . . . . . . . 5988 1 237 . 1 1 38 38 LYS HA H 1 4.260 0.01 . 1 . . . . . . . . 5988 1 238 . 1 1 38 38 LYS HB3 H 1 1.540 0.01 . 2 . . . . . . . . 5988 1 239 . 1 1 38 38 LYS HB2 H 1 1.730 0.01 . 2 . . . . . . . . 5988 1 240 . 1 1 38 38 LYS HG3 H 1 1.410 0.01 . 2 . . . . . . . . 5988 1 241 . 1 1 38 38 LYS HE3 H 1 3.040 0.01 . 1 . . . . . . . . 5988 1 242 . 1 1 38 38 LYS HE2 H 1 3.040 0.01 . 1 . . . . . . . . 5988 1 243 . 1 1 39 39 VAL H H 1 8.590 0.01 . 1 . . . . . . . . 5988 1 244 . 1 1 39 39 VAL HA H 1 3.510 0.01 . 1 . . . . . . . . 5988 1 245 . 1 1 39 39 VAL HB H 1 0.140 0.01 . 1 . . . . . . . . 5988 1 246 . 1 1 39 39 VAL HG21 H 1 0.270 0.01 . 2 . . . . . . . . 5988 1 247 . 1 1 39 39 VAL HG22 H 1 0.270 0.01 . 2 . . . . . . . . 5988 1 248 . 1 1 39 39 VAL HG23 H 1 0.270 0.01 . 2 . . . . . . . . 5988 1 249 . 1 1 39 39 VAL HG11 H 1 0.340 0.01 . 2 . . . . . . . . 5988 1 250 . 1 1 39 39 VAL HG12 H 1 0.340 0.01 . 2 . . . . . . . . 5988 1 251 . 1 1 39 39 VAL HG13 H 1 0.340 0.01 . 2 . . . . . . . . 5988 1 252 . 1 1 40 40 VAL H H 1 8.050 0.01 . 1 . . . . . . . . 5988 1 253 . 1 1 40 40 VAL HA H 1 4.450 0.01 . 1 . . . . . . . . 5988 1 254 . 1 1 40 40 VAL HB H 1 1.480 0.01 . 1 . . . . . . . . 5988 1 255 . 1 1 40 40 VAL HG21 H 1 0.490 0.01 . 2 . . . . . . . . 5988 1 256 . 1 1 40 40 VAL HG22 H 1 0.490 0.01 . 2 . . . . . . . . 5988 1 257 . 1 1 40 40 VAL HG23 H 1 0.490 0.01 . 2 . . . . . . . . 5988 1 258 . 1 1 40 40 VAL HG11 H 1 0.580 0.01 . 2 . . . . . . . . 5988 1 259 . 1 1 40 40 VAL HG12 H 1 0.580 0.01 . 2 . . . . . . . . 5988 1 260 . 1 1 40 40 VAL HG13 H 1 0.580 0.01 . 2 . . . . . . . . 5988 1 261 . 1 1 41 41 GLU H H 1 9.200 0.01 . 1 . . . . . . . . 5988 1 262 . 1 1 41 41 GLU HA H 1 5.060 0.01 . 1 . . . . . . . . 5988 1 263 . 1 1 41 41 GLU HB3 H 1 2.290 0.01 . 2 . . . . . . . . 5988 1 264 . 1 1 41 41 GLU HB2 H 1 2.520 0.01 . 2 . . . . . . . . 5988 1 265 . 1 1 42 42 LEU H H 1 8.780 0.01 . 1 . . . . . . . . 5988 1 266 . 1 1 42 42 LEU HA H 1 4.870 0.01 . 1 . . . . . . . . 5988 1 267 . 1 1 42 42 LEU HB3 H 1 1.580 0.01 . 1 . . . . . . . . 5988 1 268 . 1 1 42 42 LEU HB2 H 1 1.580 0.01 . 1 . . . . . . . . 5988 1 269 . 1 1 42 42 LEU HG H 1 1.270 0.01 . 1 . . . . . . . . 5988 1 270 . 1 1 42 42 LEU HD11 H 1 0.750 0.01 . 1 . . . . . . . . 5988 1 271 . 1 1 42 42 LEU HD12 H 1 0.750 0.01 . 1 . . . . . . . . 5988 1 272 . 1 1 42 42 LEU HD13 H 1 0.750 0.01 . 1 . . . . . . . . 5988 1 273 . 1 1 42 42 LEU HD21 H 1 0.750 0.01 . 1 . . . . . . . . 5988 1 274 . 1 1 42 42 LEU HD22 H 1 0.750 0.01 . 1 . . . . . . . . 5988 1 275 . 1 1 42 42 LEU HD23 H 1 0.750 0.01 . 1 . . . . . . . . 5988 1 276 . 1 1 43 43 GLY H H 1 6.740 0.01 . 1 . . . . . . . . 5988 1 277 . 1 1 43 43 GLY HA3 H 1 4.030 0.01 . 2 . . . . . . . . 5988 1 278 . 1 1 43 43 GLY HA2 H 1 4.340 0.01 . 2 . . . . . . . . 5988 1 279 . 1 1 44 44 CYS H H 1 8.450 0.01 . 1 . . . . . . . . 5988 1 280 . 1 1 44 44 CYS HA H 1 5.600 0.01 . 1 . . . . . . . . 5988 1 281 . 1 1 44 44 CYS HB3 H 1 3.300 0.01 . 2 . . . . . . . . 5988 1 282 . 1 1 44 44 CYS HB2 H 1 3.170 0.01 . 2 . . . . . . . . 5988 1 283 . 1 1 45 45 ALA H H 1 9.290 0.01 . 1 . . . . . . . . 5988 1 284 . 1 1 45 45 ALA HA H 1 4.580 0.01 . 1 . . . . . . . . 5988 1 285 . 1 1 45 45 ALA HB1 H 1 1.410 0.01 . 1 . . . . . . . . 5988 1 286 . 1 1 45 45 ALA HB2 H 1 1.410 0.01 . 1 . . . . . . . . 5988 1 287 . 1 1 45 45 ALA HB3 H 1 1.410 0.01 . 1 . . . . . . . . 5988 1 288 . 1 1 46 46 ALA H H 1 8.720 0.01 . 1 . . . . . . . . 5988 1 289 . 1 1 46 46 ALA HA H 1 4.860 0.01 . 1 . . . . . . . . 5988 1 290 . 1 1 46 46 ALA HB1 H 1 1.500 0.01 . 1 . . . . . . . . 5988 1 291 . 1 1 46 46 ALA HB2 H 1 1.500 0.01 . 1 . . . . . . . . 5988 1 292 . 1 1 46 46 ALA HB3 H 1 1.500 0.01 . 1 . . . . . . . . 5988 1 293 . 1 1 47 47 THR H H 1 7.400 0.01 . 1 . . . . . . . . 5988 1 294 . 1 1 47 47 THR HA H 1 4.340 0.01 . 1 . . . . . . . . 5988 1 295 . 1 1 47 47 THR HB H 1 3.960 0.01 . 1 . . . . . . . . 5988 1 296 . 1 1 47 47 THR HG21 H 1 1.140 0.01 . 1 . . . . . . . . 5988 1 297 . 1 1 47 47 THR HG22 H 1 1.140 0.01 . 1 . . . . . . . . 5988 1 298 . 1 1 47 47 THR HG23 H 1 1.140 0.01 . 1 . . . . . . . . 5988 1 299 . 1 1 48 48 CYS H H 1 8.980 0.01 . 1 . . . . . . . . 5988 1 300 . 1 1 48 48 CYS HA H 1 4.590 0.01 . 1 . . . . . . . . 5988 1 301 . 1 1 48 48 CYS HB3 H 1 2.980 0.01 . 2 . . . . . . . . 5988 1 302 . 1 1 48 48 CYS HB2 H 1 3.200 0.01 . 2 . . . . . . . . 5988 1 303 . 1 1 49 49 PRO HA H 1 4.130 0.01 . 1 . . . . . . . . 5988 1 304 . 1 1 49 49 PRO HB3 H 1 1.520 0.01 . 2 . . . . . . . . 5988 1 305 . 1 1 49 49 PRO HB2 H 1 2.070 0.01 . 2 . . . . . . . . 5988 1 306 . 1 1 49 49 PRO HG3 H 1 1.000 0.01 . 2 . . . . . . . . 5988 1 307 . 1 1 49 49 PRO HG2 H 1 1.360 0.01 . 2 . . . . . . . . 5988 1 308 . 1 1 49 49 PRO HD3 H 1 3.440 0.01 . 2 . . . . . . . . 5988 1 309 . 1 1 49 49 PRO HD2 H 1 3.590 0.01 . 2 . . . . . . . . 5988 1 310 . 1 1 50 50 SER H H 1 8.040 0.01 . 1 . . . . . . . . 5988 1 311 . 1 1 50 50 SER HA H 1 4.210 0.01 . 1 . . . . . . . . 5988 1 312 . 1 1 50 50 SER HB3 H 1 3.780 0.01 . 1 . . . . . . . . 5988 1 313 . 1 1 50 50 SER HB2 H 1 3.780 0.01 . 1 . . . . . . . . 5988 1 314 . 1 1 51 51 LYS H H 1 8.270 0.01 . 1 . . . . . . . . 5988 1 315 . 1 1 51 51 LYS HA H 1 4.420 0.01 . 1 . . . . . . . . 5988 1 316 . 1 1 51 51 LYS HB3 H 1 1.700 0.01 . 2 . . . . . . . . 5988 1 317 . 1 1 51 51 LYS HB2 H 1 1.860 0.01 . 2 . . . . . . . . 5988 1 318 . 1 1 51 51 LYS HG3 H 1 1.480 0.01 . 1 . . . . . . . . 5988 1 319 . 1 1 51 51 LYS HG2 H 1 1.480 0.01 . 1 . . . . . . . . 5988 1 320 . 1 1 51 51 LYS HD3 H 1 1.340 0.01 . 1 . . . . . . . . 5988 1 321 . 1 1 51 51 LYS HD2 H 1 1.340 0.01 . 1 . . . . . . . . 5988 1 322 . 1 1 51 51 LYS HE3 H 1 3.100 0.01 . 1 . . . . . . . . 5988 1 323 . 1 1 51 51 LYS HE2 H 1 3.100 0.01 . 1 . . . . . . . . 5988 1 324 . 1 1 52 52 LYS H H 1 8.670 0.01 . 1 . . . . . . . . 5988 1 325 . 1 1 52 52 LYS HA H 1 4.510 0.01 . 1 . . . . . . . . 5988 1 326 . 1 1 52 52 LYS HB3 H 1 0.870 0.01 . 1 . . . . . . . . 5988 1 327 . 1 1 52 52 LYS HB2 H 1 0.870 0.01 . 1 . . . . . . . . 5988 1 328 . 1 1 52 52 LYS HG3 H 1 1.340 0.01 . 1 . . . . . . . . 5988 1 329 . 1 1 52 52 LYS HG2 H 1 1.340 0.01 . 1 . . . . . . . . 5988 1 330 . 1 1 52 52 LYS HD3 H 1 1.450 0.01 . 2 . . . . . . . . 5988 1 331 . 1 1 52 52 LYS HD2 H 1 1.620 0.01 . 2 . . . . . . . . 5988 1 332 . 1 1 52 52 LYS HE3 H 1 2.860 0.01 . 1 . . . . . . . . 5988 1 333 . 1 1 52 52 LYS HE2 H 1 2.860 0.01 . 1 . . . . . . . . 5988 1 334 . 1 1 53 53 PRO HA H 1 4.200 0.01 . 1 . . . . . . . . 5988 1 335 . 1 1 53 53 PRO HB3 H 1 1.770 0.01 . 2 . . . . . . . . 5988 1 336 . 1 1 53 53 PRO HB2 H 1 2.220 0.01 . 2 . . . . . . . . 5988 1 337 . 1 1 53 53 PRO HG3 H 1 1.980 0.01 . 1 . . . . . . . . 5988 1 338 . 1 1 53 53 PRO HG2 H 1 1.980 0.01 . 1 . . . . . . . . 5988 1 339 . 1 1 53 53 PRO HD3 H 1 3.550 0.01 . 2 . . . . . . . . 5988 1 340 . 1 1 53 53 PRO HD2 H 1 3.770 0.01 . 2 . . . . . . . . 5988 1 341 . 1 1 54 54 TYR H H 1 7.090 0.01 . 1 . . . . . . . . 5988 1 342 . 1 1 54 54 TYR HA H 1 4.550 0.01 . 1 . . . . . . . . 5988 1 343 . 1 1 54 54 TYR HB3 H 1 3.160 0.01 . 2 . . . . . . . . 5988 1 344 . 1 1 54 54 TYR HB2 H 1 3.530 0.01 . 2 . . . . . . . . 5988 1 345 . 1 1 54 54 TYR HD1 H 1 6.770 0.01 . 1 . . . . . . . . 5988 1 346 . 1 1 54 54 TYR HE1 H 1 7.120 0.01 . 1 . . . . . . . . 5988 1 347 . 1 1 54 54 TYR HE2 H 1 7.120 0.01 . 1 . . . . . . . . 5988 1 348 . 1 1 54 54 TYR HD2 H 1 6.770 0.01 . 1 . . . . . . . . 5988 1 349 . 1 1 55 55 GLU H H 1 7.660 0.01 . 1 . . . . . . . . 5988 1 350 . 1 1 55 55 GLU HA H 1 5.050 0.01 . 1 . . . . . . . . 5988 1 351 . 1 1 55 55 GLU HB3 H 1 1.910 0.01 . 2 . . . . . . . . 5988 1 352 . 1 1 55 55 GLU HB2 H 1 2.130 0.01 . 2 . . . . . . . . 5988 1 353 . 1 1 55 55 GLU HG3 H 1 1.820 0.01 . 1 . . . . . . . . 5988 1 354 . 1 1 55 55 GLU HG2 H 1 1.820 0.01 . 1 . . . . . . . . 5988 1 355 . 1 1 56 56 GLU H H 1 8.880 0.01 . 1 . . . . . . . . 5988 1 356 . 1 1 56 56 GLU HA H 1 4.800 0.01 . 1 . . . . . . . . 5988 1 357 . 1 1 56 56 GLU HB3 H 1 1.820 0.01 . 2 . . . . . . . . 5988 1 358 . 1 1 56 56 GLU HB2 H 1 2.110 0.01 . 2 . . . . . . . . 5988 1 359 . 1 1 56 56 GLU HG3 H 1 1.820 0.01 . 2 . . . . . . . . 5988 1 360 . 1 1 57 57 VAL H H 1 8.520 0.01 . 1 . . . . . . . . 5988 1 361 . 1 1 57 57 VAL HA H 1 5.280 0.01 . 1 . . . . . . . . 5988 1 362 . 1 1 57 57 VAL HB H 1 1.900 0.01 . 1 . . . . . . . . 5988 1 363 . 1 1 57 57 VAL HG21 H 1 0.900 0.01 . 2 . . . . . . . . 5988 1 364 . 1 1 57 57 VAL HG22 H 1 0.900 0.01 . 2 . . . . . . . . 5988 1 365 . 1 1 57 57 VAL HG23 H 1 0.900 0.01 . 2 . . . . . . . . 5988 1 366 . 1 1 57 57 VAL HG11 H 1 0.960 0.01 . 2 . . . . . . . . 5988 1 367 . 1 1 57 57 VAL HG12 H 1 0.960 0.01 . 2 . . . . . . . . 5988 1 368 . 1 1 57 57 VAL HG13 H 1 0.960 0.01 . 2 . . . . . . . . 5988 1 369 . 1 1 58 58 THR H H 1 9.140 0.01 . 1 . . . . . . . . 5988 1 370 . 1 1 58 58 THR HA H 1 4.750 0.01 . 1 . . . . . . . . 5988 1 371 . 1 1 58 58 THR HB H 1 4.020 0.01 . 1 . . . . . . . . 5988 1 372 . 1 1 58 58 THR HG21 H 1 1.240 0.01 . 1 . . . . . . . . 5988 1 373 . 1 1 58 58 THR HG22 H 1 1.240 0.01 . 1 . . . . . . . . 5988 1 374 . 1 1 58 58 THR HG23 H 1 1.240 0.01 . 1 . . . . . . . . 5988 1 375 . 1 1 58 58 THR HG1 H 1 6.200 0.01 . 1 . . . . . . . . 5988 1 376 . 1 1 59 59 CYS H H 1 9.230 0.01 . 1 . . . . . . . . 5988 1 377 . 1 1 59 59 CYS HA H 1 5.640 0.01 . 1 . . . . . . . . 5988 1 378 . 1 1 59 59 CYS HB3 H 1 3.000 0.01 . 2 . . . . . . . . 5988 1 379 . 1 1 59 59 CYS HB2 H 1 3.750 0.01 . 2 . . . . . . . . 5988 1 380 . 1 1 60 60 CYS H H 1 9.050 0.01 . 1 . . . . . . . . 5988 1 381 . 1 1 60 60 CYS HA H 1 5.200 0.01 . 1 . . . . . . . . 5988 1 382 . 1 1 60 60 CYS HB3 H 1 3.450 0.01 . 2 . . . . . . . . 5988 1 383 . 1 1 60 60 CYS HB2 H 1 3.340 0.01 . 2 . . . . . . . . 5988 1 384 . 1 1 61 61 SER H H 1 8.850 0.01 . 1 . . . . . . . . 5988 1 385 . 1 1 61 61 SER HA H 1 4.950 0.01 . 1 . . . . . . . . 5988 1 386 . 1 1 61 61 SER HB3 H 1 3.810 0.01 . 2 . . . . . . . . 5988 1 387 . 1 1 61 61 SER HB2 H 1 4.200 0.01 . 2 . . . . . . . . 5988 1 388 . 1 1 62 62 THR H H 1 7.500 0.01 . 1 . . . . . . . . 5988 1 389 . 1 1 62 62 THR HA H 1 4.780 0.01 . 1 . . . . . . . . 5988 1 390 . 1 1 62 62 THR HB H 1 4.290 0.01 . 1 . . . . . . . . 5988 1 391 . 1 1 62 62 THR HG21 H 1 1.220 0.01 . 1 . . . . . . . . 5988 1 392 . 1 1 62 62 THR HG22 H 1 1.220 0.01 . 1 . . . . . . . . 5988 1 393 . 1 1 62 62 THR HG23 H 1 1.220 0.01 . 1 . . . . . . . . 5988 1 394 . 1 1 63 63 ASP H H 1 8.360 0.01 . 1 . . . . . . . . 5988 1 395 . 1 1 63 63 ASP HA H 1 5.000 0.01 . 1 . . . . . . . . 5988 1 396 . 1 1 63 63 ASP HB3 H 1 2.090 0.01 . 2 . . . . . . . . 5988 1 397 . 1 1 63 63 ASP HB2 H 1 2.330 0.01 . 2 . . . . . . . . 5988 1 398 . 1 1 64 64 LYS H H 1 9.970 0.01 . 1 . . . . . . . . 5988 1 399 . 1 1 64 64 LYS HA H 1 3.160 0.01 . 1 . . . . . . . . 5988 1 400 . 1 1 64 64 LYS HB3 H 1 0.320 0.01 . 2 . . . . . . . . 5988 1 401 . 1 1 64 64 LYS HB2 H 1 0.950 0.01 . 2 . . . . . . . . 5988 1 402 . 1 1 64 64 LYS HG3 H 1 1.450 0.01 . 1 . . . . . . . . 5988 1 403 . 1 1 64 64 LYS HG2 H 1 1.450 0.01 . 1 . . . . . . . . 5988 1 404 . 1 1 64 64 LYS HD3 H 1 1.710 0.01 . 1 . . . . . . . . 5988 1 405 . 1 1 64 64 LYS HD2 H 1 1.710 0.01 . 1 . . . . . . . . 5988 1 406 . 1 1 64 64 LYS HE3 H 1 2.660 0.01 . 1 . . . . . . . . 5988 1 407 . 1 1 64 64 LYS HE2 H 1 2.660 0.01 . 1 . . . . . . . . 5988 1 408 . 1 1 65 65 CYS H H 1 7.620 0.01 . 1 . . . . . . . . 5988 1 409 . 1 1 65 65 CYS HA H 1 4.570 0.01 . 1 . . . . . . . . 5988 1 410 . 1 1 65 65 CYS HB3 H 1 3.540 0.01 . 2 . . . . . . . . 5988 1 411 . 1 1 65 65 CYS HB2 H 1 3.770 0.01 . 2 . . . . . . . . 5988 1 412 . 1 1 66 66 ASN H H 1 9.000 0.01 . 1 . . . . . . . . 5988 1 413 . 1 1 66 66 ASN HA H 1 4.970 0.01 . 1 . . . . . . . . 5988 1 414 . 1 1 66 66 ASN HB3 H 1 1.980 0.01 . 2 . . . . . . . . 5988 1 415 . 1 1 66 66 ASN HB2 H 1 2.510 0.01 . 2 . . . . . . . . 5988 1 416 . 1 1 66 66 ASN HD21 H 1 7.500 0.01 . 2 . . . . . . . . 5988 1 417 . 1 1 66 66 ASN HD22 H 1 7.850 0.01 . 2 . . . . . . . . 5988 1 418 . 1 1 67 67 PRO HA H 1 3.670 0.01 . 1 . . . . . . . . 5988 1 419 . 1 1 67 67 PRO HB3 H 1 2.200 0.01 . 2 . . . . . . . . 5988 1 420 . 1 1 67 67 PRO HB2 H 1 2.120 0.01 . 2 . . . . . . . . 5988 1 421 . 1 1 67 67 PRO HG3 H 1 1.800 0.01 . 1 . . . . . . . . 5988 1 422 . 1 1 67 67 PRO HG2 H 1 1.800 0.01 . 1 . . . . . . . . 5988 1 423 . 1 1 67 67 PRO HD3 H 1 3.550 0.01 . 2 . . . . . . . . 5988 1 424 . 1 1 68 68 HIS H H 1 8.500 0.01 . 1 . . . . . . . . 5988 1 425 . 1 1 68 68 HIS HA H 1 4.090 0.01 . 1 . . . . . . . . 5988 1 426 . 1 1 68 68 HIS HB3 H 1 2.600 0.01 . 2 . . . . . . . . 5988 1 427 . 1 1 68 68 HIS HB2 H 1 2.650 0.01 . 2 . . . . . . . . 5988 1 428 . 1 1 68 68 HIS HD2 H 1 7.040 0.01 . 3 . . . . . . . . 5988 1 429 . 1 1 68 68 HIS HE2 H 1 7.040 0.01 . 3 . . . . . . . . 5988 1 430 . 1 1 68 68 HIS HE1 H 1 6.370 0.01 . 3 . . . . . . . . 5988 1 431 . 1 1 68 68 HIS HD1 H 1 6.370 0.01 . 3 . . . . . . . . 5988 1 432 . 1 1 69 69 PRO HA H 1 4.320 0.01 . 1 . . . . . . . . 5988 1 433 . 1 1 69 69 PRO HB3 H 1 2.340 0.01 . 2 . . . . . . . . 5988 1 434 . 1 1 69 69 PRO HB2 H 1 2.160 0.01 . 2 . . . . . . . . 5988 1 435 . 1 1 69 69 PRO HG3 H 1 1.880 0.01 . 2 . . . . . . . . 5988 1 436 . 1 1 69 69 PRO HG2 H 1 1.800 0.01 . 2 . . . . . . . . 5988 1 437 . 1 1 69 69 PRO HD3 H 1 3.150 0.01 . 1 . . . . . . . . 5988 1 438 . 1 1 69 69 PRO HD2 H 1 3.150 0.01 . 1 . . . . . . . . 5988 1 439 . 1 1 70 70 LYS H H 1 11.160 0.01 . 1 . . . . . . . . 5988 1 440 . 1 1 70 70 LYS HA H 1 4.460 0.01 . 1 . . . . . . . . 5988 1 441 . 1 1 70 70 LYS HB3 H 1 1.820 0.01 . 2 . . . . . . . . 5988 1 442 . 1 1 70 70 LYS HB2 H 1 2.170 0.01 . 2 . . . . . . . . 5988 1 443 . 1 1 70 70 LYS HG3 H 1 2.000 0.01 . 1 . . . . . . . . 5988 1 444 . 1 1 70 70 LYS HG2 H 1 2.000 0.01 . 1 . . . . . . . . 5988 1 445 . 1 1 70 70 LYS HD3 H 1 1.650 0.01 . 1 . . . . . . . . 5988 1 446 . 1 1 70 70 LYS HD2 H 1 1.650 0.01 . 1 . . . . . . . . 5988 1 447 . 1 1 70 70 LYS HE3 H 1 2.660 0.01 . 1 . . . . . . . . 5988 1 448 . 1 1 70 70 LYS HE2 H 1 2.660 0.01 . 1 . . . . . . . . 5988 1 449 . 1 1 71 71 GLN H H 1 8.300 0.01 . 1 . . . . . . . . 5988 1 450 . 1 1 71 71 GLN HA H 1 4.280 0.01 . 1 . . . . . . . . 5988 1 451 . 1 1 71 71 GLN HB3 H 1 2.060 0.01 . 2 . . . . . . . . 5988 1 452 . 1 1 71 71 GLN HB2 H 1 2.170 0.01 . 2 . . . . . . . . 5988 1 453 . 1 1 71 71 GLN HG3 H 1 1.930 0.01 . 1 . . . . . . . . 5988 1 454 . 1 1 71 71 GLN HG2 H 1 1.930 0.01 . 1 . . . . . . . . 5988 1 455 . 1 1 71 71 GLN HE21 H 1 6.110 0.01 . 2 . . . . . . . . 5988 1 456 . 1 1 71 71 GLN HE22 H 1 7.350 0.01 . 2 . . . . . . . . 5988 1 457 . 1 1 72 72 ARG H H 1 8.210 0.01 . 1 . . . . . . . . 5988 1 458 . 1 1 72 72 ARG HA H 1 4.620 0.01 . 1 . . . . . . . . 5988 1 459 . 1 1 72 72 ARG HB3 H 1 1.770 0.01 . 1 . . . . . . . . 5988 1 460 . 1 1 72 72 ARG HB2 H 1 1.770 0.01 . 1 . . . . . . . . 5988 1 461 . 1 1 72 72 ARG HG3 H 1 1.890 0.01 . 1 . . . . . . . . 5988 1 462 . 1 1 72 72 ARG HG2 H 1 1.890 0.01 . 1 . . . . . . . . 5988 1 463 . 1 1 72 72 ARG HD3 H 1 3.200 0.01 . 1 . . . . . . . . 5988 1 464 . 1 1 72 72 ARG HD2 H 1 3.200 0.01 . 1 . . . . . . . . 5988 1 465 . 1 1 73 73 PRO HA H 1 4.490 0.01 . 1 . . . . . . . . 5988 1 466 . 1 1 73 73 PRO HB3 H 1 2.260 0.01 . 2 . . . . . . . . 5988 1 467 . 1 1 73 73 PRO HB2 H 1 2.060 0.01 . 2 . . . . . . . . 5988 1 468 . 1 1 73 73 PRO HG3 H 1 2.010 0.01 . 1 . . . . . . . . 5988 1 469 . 1 1 73 73 PRO HG2 H 1 2.010 0.01 . 1 . . . . . . . . 5988 1 470 . 1 1 73 73 PRO HD3 H 1 3.690 0.01 . 2 . . . . . . . . 5988 1 471 . 1 1 73 73 PRO HD2 H 1 3.800 0.01 . 2 . . . . . . . . 5988 1 472 . 1 1 74 74 GLY H H 1 7.920 0.01 . 1 . . . . . . . . 5988 1 473 . 1 1 74 74 GLY HA3 H 1 3.700 0.01 . 2 . . . . . . . . 5988 1 474 . 1 1 74 74 GLY HA2 H 1 3.850 0.01 . 2 . . . . . . . . 5988 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 5988 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond _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 . 5988 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 . 2 2 1 1 PHE HA H 1 4.660 0.01 . 1 . . . . . . . . 5988 2 2 . 2 2 1 1 PHE HB2 H 1 3.320 0.01 . 2 . . . . . . . . 5988 2 3 . 2 2 2 2 ARG H H 1 8.030 0.01 . 1 . . . . . . . . 5988 2 4 . 2 2 2 2 ARG HA H 1 4.190 0.01 . 1 . . . . . . . . 5988 2 5 . 2 2 2 2 ARG HB3 H 1 2.560 0.01 . 2 . . . . . . . . 5988 2 6 . 2 2 2 2 ARG HB2 H 1 2.100 0.01 . 2 . . . . . . . . 5988 2 7 . 2 2 2 2 ARG HG3 H 1 1.800 0.01 . 1 . . . . . . . . 5988 2 8 . 2 2 2 2 ARG HG2 H 1 1.800 0.01 . 1 . . . . . . . . 5988 2 9 . 2 2 2 2 ARG HD3 H 1 3.050 0.01 . 1 . . . . . . . . 5988 2 10 . 2 2 2 2 ARG HD2 H 1 3.050 0.01 . 1 . . . . . . . . 5988 2 11 . 2 2 3 3 TYR H H 1 8.020 0.01 . 1 . . . . . . . . 5988 2 12 . 2 2 3 3 TYR HA H 1 4.540 0.01 . 1 . . . . . . . . 5988 2 13 . 2 2 3 3 TYR HB3 H 1 2.900 0.01 . 2 . . . . . . . . 5988 2 14 . 2 2 3 3 TYR HB2 H 1 3.010 0.01 . 2 . . . . . . . . 5988 2 15 . 2 2 4 4 TYR H H 1 8.220 0.01 . 1 . . . . . . . . 5988 2 16 . 2 2 4 4 TYR HA H 1 4.470 0.01 . 1 . . . . . . . . 5988 2 17 . 2 2 4 4 TYR HB3 H 1 2.950 0.01 . 2 . . . . . . . . 5988 2 18 . 2 2 4 4 TYR HB2 H 1 2.880 0.01 . 2 . . . . . . . . 5988 2 19 . 2 2 5 5 GLU H H 1 8.130 0.01 . 1 . . . . . . . . 5988 2 20 . 2 2 5 5 GLU HA H 1 4.530 0.01 . 1 . . . . . . . . 5988 2 21 . 2 2 5 5 GLU HB3 H 1 2.070 0.01 . 2 . . . . . . . . 5988 2 22 . 2 2 5 5 GLU HB2 H 1 1.760 0.01 . 2 . . . . . . . . 5988 2 23 . 2 2 5 5 GLU HG3 H 1 2.250 0.01 . 1 . . . . . . . . 5988 2 24 . 2 2 5 5 GLU HG2 H 1 2.250 0.01 . 1 . . . . . . . . 5988 2 25 . 2 2 6 6 SER H H 1 8.200 0.01 . 1 . . . . . . . . 5988 2 26 . 2 2 6 6 SER HA H 1 4.260 0.01 . 1 . . . . . . . . 5988 2 27 . 2 2 6 6 SER HB3 H 1 3.900 0.01 . 2 . . . . . . . . 5988 2 28 . 2 2 7 7 SER H H 1 8.160 0.01 . 1 . . . . . . . . 5988 2 29 . 2 2 7 7 SER HA H 1 4.330 0.01 . 1 . . . . . . . . 5988 2 30 . 2 2 7 7 SER HB3 H 1 3.910 0.01 . 1 . . . . . . . . 5988 2 31 . 2 2 7 7 SER HB2 H 1 3.910 0.01 . 1 . . . . . . . . 5988 2 32 . 2 2 8 8 LEU H H 1 8.170 0.01 . 1 . . . . . . . . 5988 2 33 . 2 2 8 8 LEU HA H 1 4.320 0.01 . 1 . . . . . . . . 5988 2 34 . 2 2 8 8 LEU HB3 H 1 1.700 0.01 . 1 . . . . . . . . 5988 2 35 . 2 2 8 8 LEU HB2 H 1 1.700 0.01 . 1 . . . . . . . . 5988 2 36 . 2 2 8 8 LEU HD11 H 1 0.750 0.01 . 2 . . . . . . . . 5988 2 37 . 2 2 8 8 LEU HD12 H 1 0.750 0.01 . 2 . . . . . . . . 5988 2 38 . 2 2 8 8 LEU HD13 H 1 0.750 0.01 . 2 . . . . . . . . 5988 2 39 . 2 2 8 8 LEU HD21 H 1 0.790 0.01 . 2 . . . . . . . . 5988 2 40 . 2 2 8 8 LEU HD22 H 1 0.790 0.01 . 2 . . . . . . . . 5988 2 41 . 2 2 8 8 LEU HD23 H 1 0.790 0.01 . 2 . . . . . . . . 5988 2 42 . 2 2 9 9 GLU H H 1 8.300 0.01 . 1 . . . . . . . . 5988 2 43 . 2 2 9 9 GLU HA H 1 4.280 0.01 . 1 . . . . . . . . 5988 2 44 . 2 2 9 9 GLU HB3 H 1 2.060 0.01 . 2 . . . . . . . . 5988 2 45 . 2 2 9 9 GLU HB2 H 1 1.940 0.01 . 2 . . . . . . . . 5988 2 46 . 2 2 9 9 GLU HG3 H 1 2.270 0.01 . 1 . . . . . . . . 5988 2 47 . 2 2 9 9 GLU HG2 H 1 2.270 0.01 . 1 . . . . . . . . 5988 2 48 . 2 2 10 10 PRO HA H 1 4.200 0.01 . 1 . . . . . . . . 5988 2 49 . 2 2 10 10 PRO HB3 H 1 2.260 0.01 . 2 . . . . . . . . 5988 2 50 . 2 2 10 10 PRO HB2 H 1 2.090 0.01 . 2 . . . . . . . . 5988 2 51 . 2 2 10 10 PRO HG3 H 1 1.860 0.01 . 1 . . . . . . . . 5988 2 52 . 2 2 10 10 PRO HG2 H 1 1.860 0.01 . 1 . . . . . . . . 5988 2 53 . 2 2 10 10 PRO HD3 H 1 3.450 0.01 . 2 . . . . . . . . 5988 2 54 . 2 2 11 11 TRP H H 1 7.840 0.01 . 1 . . . . . . . . 5988 2 55 . 2 2 11 11 TRP HA H 1 4.670 0.01 . 1 . . . . . . . . 5988 2 56 . 2 2 11 11 TRP HB3 H 1 3.270 0.01 . 1 . . . . . . . . 5988 2 57 . 2 2 11 11 TRP HB2 H 1 3.270 0.01 . 1 . . . . . . . . 5988 2 58 . 2 2 11 11 TRP HD1 H 1 7.500 0.01 . 1 . . . . . . . . 5988 2 59 . 2 2 11 11 TRP HE1 H 1 6.700 0.01 . 3 . . . . . . . . 5988 2 60 . 2 2 11 11 TRP HZ2 H 1 7.200 0.01 . 3 . . . . . . . . 5988 2 61 . 2 2 11 11 TRP HH2 H 1 10.900 0.01 . 1 . . . . . . . . 5988 2 62 . 2 2 11 11 TRP HZ3 H 1 7.620 0.01 . 3 . . . . . . . . 5988 2 63 . 2 2 12 12 ASP H H 1 7.920 0.01 . 1 . . . . . . . . 5988 2 64 . 2 2 12 12 ASP HA H 1 4.570 0.01 . 1 . . . . . . . . 5988 2 65 . 2 2 12 12 ASP HB3 H 1 2.590 0.01 . 2 . . . . . . . . 5988 2 66 . 2 2 12 12 ASP HB2 H 1 2.470 0.01 . 2 . . . . . . . . 5988 2 67 . 2 2 13 13 ASP H H 1 8.620 0.01 . 1 . . . . . . . . 5988 2 68 . 2 2 13 13 ASP HA H 1 4.680 0.01 . 1 . . . . . . . . 5988 2 69 . 2 2 13 13 ASP HB3 H 1 2.770 0.01 . 2 . . . . . . . . 5988 2 70 . 2 2 13 13 ASP HB2 H 1 2.640 0.01 . 2 . . . . . . . . 5988 2 stop_ save_