data_4838 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4838 _Entry.Title ; NMR Mapping and Secondary Structure Determination of the Major Acetylcholine Receptor alpha-Subunit Determinant Interacting with alpha-Bungarotoxin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-09-24 _Entry.Accession_date 2000-09-25 _Entry.Last_release_date 2000-09-25 _Entry.Original_release_date 2000-09-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Abraham Samson . O.S. . . 4838 2 Jordan Chill . H. . . 4838 3 Erik Rodriguez . . . . 4838 4 Tali Scherf . . . . 4838 5 Jacob Anglister . . . . 4838 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4838 coupling_constants 2 4838 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 477 4838 'coupling constants' 79 4838 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 . . 2000-11-20 . original BMRB . 4838 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4838 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21229533 _Citation.DOI . _Citation.PubMed_ID 11331011 _Citation.Full_citation . _Citation.Title ; NMR Mapping and Secondary Structure Determination of the Major Acetylcholine Receptor alpha-Subunit Determinant Interacting with alpha-Bungarotoxin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 40 _Citation.Journal_issue 18 _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 5464 _Citation.Page_last 5473 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Abraham Samson . O.S. . . 4838 1 2 Jordan Chill . H. . . 4838 1 3 Erik Rodriguez . . . . 4838 1 4 Tali Scherf . . . . 4838 1 5 Jacob Anglister . . . . 4838 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_BTX_AChR _Assembly.Sf_category assembly _Assembly.Sf_framecode BTX_AChR _Assembly.Entry_ID 4838 _Assembly.ID 1 _Assembly.Name 'bungarotoxin/Acetylcholine receptor peptide' _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 reported' _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 'monomeric complex' 4838 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 a-bungarotoxin 1 $a-BTX . . . native . . . . . 4838 1 2 'Acetylcholine receptor peptide' 2 $ap25 . . . native . . . . . 4838 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_asym_ID_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_asym_ID_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 . 1 CYS 3 3 SG . 1 . 1 CYS 23 23 SG . . . . . . . . . . . . 4838 1 2 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 33 33 SG . . . . . . . . . . . . 4838 1 3 disulfide single . 1 . 1 CYS 48 48 SG . 1 . 1 CYS 59 59 SG . . . . . . . . . . . . 4838 1 4 disulfide single . 1 . 1 CYS 60 60 SG . 1 . 1 CYS 65 65 SG . . . . . . . . . . . . 4838 1 5 disulfide single . 2 . 2 CYS 13 13 SG . 2 . 2 CYS 14 14 SG . . . . . . . . . . . . 4838 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'BTX AChR' abbreviation 4838 1 'bungarotoxin/Acetylcholine receptor peptide' system 4838 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_a-BTX _Entity.Sf_category entity _Entity.Sf_framecode a-BTX _Entity.Entry_ID 4838 _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 STDKCNPHPKRQPG ; _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 'disulfide bound and free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2007-05-31 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 . no BMRB 8 . alpha-bungarotoxin . . . . . 100.00 74 100 100 2e-41 . . . . 4838 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID a-BTX abbreviation 4838 1 alpha-bungarotoxin common 4838 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 . 4838 1 2 . VAL . 4838 1 3 . CYS . 4838 1 4 . HIS . 4838 1 5 . THR . 4838 1 6 . THR . 4838 1 7 . ALA . 4838 1 8 . THR . 4838 1 9 . SER . 4838 1 10 . PRO . 4838 1 11 . ILE . 4838 1 12 . SER . 4838 1 13 . ALA . 4838 1 14 . VAL . 4838 1 15 . THR . 4838 1 16 . CYS . 4838 1 17 . PRO . 4838 1 18 . PRO . 4838 1 19 . GLY . 4838 1 20 . GLU . 4838 1 21 . ASN . 4838 1 22 . LEU . 4838 1 23 . CYS . 4838 1 24 . TYR . 4838 1 25 . ARG . 4838 1 26 . LYS . 4838 1 27 . MET . 4838 1 28 . TRP . 4838 1 29 . CYS . 4838 1 30 . ASP . 4838 1 31 . ALA . 4838 1 32 . PHE . 4838 1 33 . CYS . 4838 1 34 . SER . 4838 1 35 . SER . 4838 1 36 . ARG . 4838 1 37 . GLY . 4838 1 38 . LYS . 4838 1 39 . VAL . 4838 1 40 . VAL . 4838 1 41 . GLU . 4838 1 42 . LEU . 4838 1 43 . GLY . 4838 1 44 . CYS . 4838 1 45 . ALA . 4838 1 46 . ALA . 4838 1 47 . THR . 4838 1 48 . CYS . 4838 1 49 . PRO . 4838 1 50 . SER . 4838 1 51 . LYS . 4838 1 52 . LYS . 4838 1 53 . PRO . 4838 1 54 . TYR . 4838 1 55 . GLU . 4838 1 56 . GLU . 4838 1 57 . VAL . 4838 1 58 . THR . 4838 1 59 . CYS . 4838 1 60 . CYS . 4838 1 61 . SER . 4838 1 62 . THR . 4838 1 63 . ASP . 4838 1 64 . LYS . 4838 1 65 . CYS . 4838 1 66 . ASN . 4838 1 67 . PRO . 4838 1 68 . HIS . 4838 1 69 . PRO . 4838 1 70 . LYS . 4838 1 71 . ARG . 4838 1 72 . GLN . 4838 1 73 . PRO . 4838 1 74 . GLY . 4838 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 4838 1 . VAL 2 2 4838 1 . CYS 3 3 4838 1 . HIS 4 4 4838 1 . THR 5 5 4838 1 . THR 6 6 4838 1 . ALA 7 7 4838 1 . THR 8 8 4838 1 . SER 9 9 4838 1 . PRO 10 10 4838 1 . ILE 11 11 4838 1 . SER 12 12 4838 1 . ALA 13 13 4838 1 . VAL 14 14 4838 1 . THR 15 15 4838 1 . CYS 16 16 4838 1 . PRO 17 17 4838 1 . PRO 18 18 4838 1 . GLY 19 19 4838 1 . GLU 20 20 4838 1 . ASN 21 21 4838 1 . LEU 22 22 4838 1 . CYS 23 23 4838 1 . TYR 24 24 4838 1 . ARG 25 25 4838 1 . LYS 26 26 4838 1 . MET 27 27 4838 1 . TRP 28 28 4838 1 . CYS 29 29 4838 1 . ASP 30 30 4838 1 . ALA 31 31 4838 1 . PHE 32 32 4838 1 . CYS 33 33 4838 1 . SER 34 34 4838 1 . SER 35 35 4838 1 . ARG 36 36 4838 1 . GLY 37 37 4838 1 . LYS 38 38 4838 1 . VAL 39 39 4838 1 . VAL 40 40 4838 1 . GLU 41 41 4838 1 . LEU 42 42 4838 1 . GLY 43 43 4838 1 . CYS 44 44 4838 1 . ALA 45 45 4838 1 . ALA 46 46 4838 1 . THR 47 47 4838 1 . CYS 48 48 4838 1 . PRO 49 49 4838 1 . SER 50 50 4838 1 . LYS 51 51 4838 1 . LYS 52 52 4838 1 . PRO 53 53 4838 1 . TYR 54 54 4838 1 . GLU 55 55 4838 1 . GLU 56 56 4838 1 . VAL 57 57 4838 1 . THR 58 58 4838 1 . CYS 59 59 4838 1 . CYS 60 60 4838 1 . SER 61 61 4838 1 . THR 62 62 4838 1 . ASP 63 63 4838 1 . LYS 64 64 4838 1 . CYS 65 65 4838 1 . ASN 66 66 4838 1 . PRO 67 67 4838 1 . HIS 68 68 4838 1 . PRO 69 69 4838 1 . LYS 70 70 4838 1 . ARG 71 71 4838 1 . GLN 72 72 4838 1 . PRO 73 73 4838 1 . GLY 74 74 4838 1 stop_ save_ save_ap25 _Entity.Sf_category entity _Entity.Sf_framecode ap25 _Entity.Entry_ID 4838 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'acetylcholine receptor peptide' _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 ; EERGWKHWVYYTCCPDTPYL DITEE ; _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 25 _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 . _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 . no BMRB 5025 . 18mer . . . . . 68.00 19 100.00 100.00 3.27e-02 . . . . 4838 2 . no PDB 1IDG . 'The Nmr Solution Structure Of The Complex Formed Between Alpha-Bungarotoxin And An 18mer Cognate Peptide' . . . . . 68.00 19 100.00 100.00 3.27e-02 . . . . 4838 2 . no PDB 1IDH . 'The Nmr Solution Structure Of The Complex Formed Between Alpha-Bungarotoxin And An 18mer Cognate Peptide' . . . . . 68.00 19 100.00 100.00 3.27e-02 . . . . 4838 2 . no PDB 1L4W . 'Nmr Structure Of An Achr-Peptide (Torpedo Californica, Alpha-Subunit Residues 182-202) In Complex With Alpha- Bungarotoxin' . . . . . 100.00 25 100.00 100.00 1.69e-06 . . . . 4838 2 . no PDB 1LJZ . 'Nmr Structure Of An Achr-Peptide (Torpedo Californica, Alpha-Subunit Residues 182-202) In Complex With Alpha- Bungarotoxin' . . . . . 100.00 25 100.00 100.00 1.69e-06 . . . . 4838 2 . no PDB 1LXG . 'Solution Structure Of Alpha-Cobratoxin Complexed With A Cognate Peptide (Structure Ensemble)' . . . . . 68.00 19 100.00 100.00 3.27e-02 . . . . 4838 2 . no PDB 1LXH . 'Solution Structure Of Alpha-Cobratoxin Complexed With A Cognate Peptide (Minimized Average Structure)' . . . . . 68.00 19 100.00 100.00 3.27e-02 . . . . 4838 2 . no PDB 2BG9 . 'Refined Structure Of The Nicotinic Acetylcholine Receptor At 4a Resolution' . . . . . 84.00 370 100.00 100.00 8.74e-06 . . . . 4838 2 . no GenBank AAA96704 . 'acetylcholine receptor alpha-subunit' . . . . . 84.00 461 100.00 100.00 8.38e-07 . . . . 4838 2 . no GenBank AAA96705 . 'acetylcholine receptor alpha subunit' . . . . . 84.00 461 100.00 100.00 8.11e-07 . . . . 4838 2 . no GenBank AAR29364 . 'acetylcholine receptor alpha subunit [Hypnos monopterygium]' . . . . . 84.00 461 100.00 100.00 7.10e-07 . . . . 4838 2 . no GenBank AAR29368 . 'acetylcholine receptor alpha subunit [Narcine tasmaniensis]' . . . . . 84.00 461 100.00 100.00 9.19e-07 . . . . 4838 2 . no GenBank ABS70800 . 'cholinergic receptor nicotinic alpha polypeptide 1 [Astatotilapia burtoni]' . . . . . 84.00 459 100.00 100.00 5.39e-07 . . . . 4838 2 . no PIR A39718 . 'nicotinic acetylcholine receptor alpha chain - marbled electric ray (fragments)' . . . . . 60.00 51 100.00 100.00 1.95e-01 . . . . 4838 2 . no SWISS-PROT P02710 . 'Acetylcholine receptor subunit alpha precursor' . . . . . 84.00 461 100.00 100.00 8.11e-07 . . . . 4838 2 . no SWISS-PROT P02711 . 'Acetylcholine receptor subunit alpha precursor' . . . . . 84.00 461 100.00 100.00 7.59e-07 . . . . 4838 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'acetylcholine receptor peptide' common 4838 2 ap25 abbreviation 4838 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 1 180 GLU . 4838 2 2 181 GLU . 4838 2 3 182 ARG . 4838 2 4 183 GLY . 4838 2 5 184 TRP . 4838 2 6 185 LYS . 4838 2 7 186 HIS . 4838 2 8 187 TRP . 4838 2 9 188 VAL . 4838 2 10 189 TYR . 4838 2 11 190 TYR . 4838 2 12 191 THR . 4838 2 13 192 CYS . 4838 2 14 193 CYS . 4838 2 15 194 PRO . 4838 2 16 195 ASP . 4838 2 17 196 THR . 4838 2 18 197 PRO . 4838 2 19 198 TYR . 4838 2 20 199 LEU . 4838 2 21 200 ASP . 4838 2 22 201 ILE . 4838 2 23 202 THR . 4838 2 24 203 GLU . 4838 2 25 204 GLU . 4838 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 . GLU 1 1 4838 2 . GLU 2 2 4838 2 . ARG 3 3 4838 2 . GLY 4 4 4838 2 . TRP 5 5 4838 2 . LYS 6 6 4838 2 . HIS 7 7 4838 2 . TRP 8 8 4838 2 . VAL 9 9 4838 2 . TYR 10 10 4838 2 . TYR 11 11 4838 2 . THR 12 12 4838 2 . CYS 13 13 4838 2 . CYS 14 14 4838 2 . PRO 15 15 4838 2 . ASP 16 16 4838 2 . THR 17 17 4838 2 . PRO 18 18 4838 2 . TYR 19 19 4838 2 . LEU 20 20 4838 2 . ASP 21 21 4838 2 . ILE 22 22 4838 2 . THR 23 23 4838 2 . GLU 24 24 4838 2 . GLU 25 25 4838 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 4838 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $a-BTX . 8616 . . 'Bungarus multicinctus' . . . Eukaryota Metazoa Bungarus multicinctus . . . . . . . . . venom . . . 4838 1 2 2 $ap25 . 7787 . . 'Torpedo californica' . . . Eukaryota Metazoa Torpedo californica . . 'electric organ' . . . . . . . . . . 4838 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 4838 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 2 $ap25 . 'chemical synthesis' . . . . . . . . . . . . . . . . 4838 1 2 1 $a-BTX . 'purified from the natural source' . . . . . . . . . . . . . . . commercial 4838 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4838 _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 . . 2 . . mM . . . . 4838 1 2 'acetylcholine receptor peptide' . . . 2 $ap25 . . 2 . . mM . . . . 4838 1 stop_ save_ ####################### # Sample conditions # ####################### save_ex-cond1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode ex-cond1 _Sample_condition_list.Entry_ID 4838 _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 4 0.2 n/a 4838 1 temperature 310 0 K 4838 1 stop_ save_ ############################ # Computer software used # ############################ save_Xwinnmr _Software.Sf_category software _Software.Sf_framecode Xwinnmr _Software.Entry_ID 4838 _Software.ID 1 _Software.Type . _Software.Name Xwinnmr _Software.Version . _Software.DOI . _Software.Details . 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 4838 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4838 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 800 . . . 4838 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 4838 _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 HOHAHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4838 1 2 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4838 1 3 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4838 1 stop_ 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 4838 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H2O protons . . . . ppm 4.658 internal direct 1.0 . . . . . 4838 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_CS_a-BTX _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CS_a-BTX _Assigned_chem_shift_list.Entry_ID 4838 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ex-cond1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 HOHAHA 1 $sample_1 . 4838 1 2 NOESY 1 $sample_1 . 4838 1 3 DQF-COSY 1 $sample_1 . 4838 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.Ambiguity_set_ID _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 2 2 VAL H H 1 8.16 0.02 . 1 . . . . . . . . . 4838 1 2 . 1 1 2 2 VAL HA H 1 5.02 0.02 . 1 . . . . . . . . . 4838 1 3 . 1 1 2 2 VAL HB H 1 1.61 0.02 . 1 . . . . . . . . . 4838 1 4 . 1 1 2 2 VAL HG11 H 1 0.90 0.02 . 1 . . . . . . . . . 4838 1 5 . 1 1 2 2 VAL HG12 H 1 0.90 0.02 . 1 . . . . . . . . . 4838 1 6 . 1 1 2 2 VAL HG13 H 1 0.90 0.02 . 1 . . . . . . . . . 4838 1 7 . 1 1 2 2 VAL HG21 H 1 0.62 0.02 . 1 . . . . . . . . . 4838 1 8 . 1 1 2 2 VAL HG22 H 1 0.62 0.02 . 1 . . . . . . . . . 4838 1 9 . 1 1 2 2 VAL HG23 H 1 0.62 0.02 . 1 . . . . . . . . . 4838 1 10 . 1 1 3 3 CYS H H 1 8.80 0.02 . 1 . . . . . . . . . 4838 1 11 . 1 1 3 3 CYS HA H 1 5.12 0.02 . 1 . . . . . . . . . 4838 1 12 . 1 1 3 3 CYS HB2 H 1 3.03 0.02 . 1 . . . . . . . . . 4838 1 13 . 1 1 3 3 CYS HB3 H 1 2.48 0.02 . 1 . . . . . . . . . 4838 1 14 . 1 1 4 4 HIS H H 1 9.37 0.02 . 1 . . . . . . . . . 4838 1 15 . 1 1 4 4 HIS HA H 1 5.23 0.02 . 1 . . . . . . . . . 4838 1 16 . 1 1 4 4 HIS HB2 H 1 3.17 0.02 . 1 . . . . . . . . . 4838 1 17 . 1 1 4 4 HIS HB3 H 1 2.60 0.02 . 1 . . . . . . . . . 4838 1 18 . 1 1 5 5 THR H H 1 8.95 0.02 . 1 . . . . . . . . . 4838 1 19 . 1 1 5 5 THR HA H 1 5.23 0.02 . 1 . . . . . . . . . 4838 1 20 . 1 1 5 5 THR HB H 1 4.08 0.02 . 1 . . . . . . . . . 4838 1 21 . 1 1 5 5 THR HG21 H 1 1.39 0.02 . 1 . . . . . . . . . 4838 1 22 . 1 1 5 5 THR HG22 H 1 1.39 0.02 . 1 . . . . . . . . . 4838 1 23 . 1 1 5 5 THR HG23 H 1 1.39 0.02 . 1 . . . . . . . . . 4838 1 24 . 1 1 6 6 THR H H 1 8.13 0.02 . 1 . . . . . . . . . 4838 1 25 . 1 1 6 6 THR HA H 1 4.53 0.02 . 1 . . . . . . . . . 4838 1 26 . 1 1 6 6 THR HB H 1 5.25 0.02 . 1 . . . . . . . . . 4838 1 27 . 1 1 6 6 THR HG21 H 1 1.08 0.02 . 1 . . . . . . . . . 4838 1 28 . 1 1 6 6 THR HG22 H 1 1.08 0.02 . 1 . . . . . . . . . 4838 1 29 . 1 1 6 6 THR HG23 H 1 1.08 0.02 . 1 . . . . . . . . . 4838 1 30 . 1 1 7 7 ALA H H 1 9.19 0.02 . 1 . . . . . . . . . 4838 1 31 . 1 1 7 7 ALA HA H 1 4.71 0.02 . 1 . . . . . . . . . 4838 1 32 . 1 1 7 7 ALA HB1 H 1 1.70 0.02 . 1 . . . . . . . . . 4838 1 33 . 1 1 7 7 ALA HB2 H 1 1.70 0.02 . 1 . . . . . . . . . 4838 1 34 . 1 1 7 7 ALA HB3 H 1 1.70 0.02 . 1 . . . . . . . . . 4838 1 35 . 1 1 8 8 THR H H 1 7.26 0.02 . 1 . . . . . . . . . 4838 1 36 . 1 1 8 8 THR HA H 1 4.52 0.02 . 1 . . . . . . . . . 4838 1 37 . 1 1 8 8 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . . 4838 1 38 . 1 1 8 8 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . . 4838 1 39 . 1 1 8 8 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . . 4838 1 40 . 1 1 9 9 SER H H 1 8.15 0.02 . 1 . . . . . . . . . 4838 1 41 . 1 1 9 9 SER HA H 1 4.41 0.02 . 1 . . . . . . . . . 4838 1 42 . 1 1 9 9 SER HB2 H 1 2.93 0.02 . 1 . . . . . . . . . 4838 1 43 . 1 1 9 9 SER HB3 H 1 2.93 0.02 . 1 . . . . . . . . . 4838 1 44 . 1 1 10 10 PRO HA H 1 4.95 0.02 . 1 . . . . . . . . . 4838 1 45 . 1 1 10 10 PRO HB2 H 1 2.25 0.02 . 2 . . . . . . . . . 4838 1 46 . 1 1 10 10 PRO HG2 H 1 1.52 0.02 . 2 . . . . . . . . . 4838 1 47 . 1 1 10 10 PRO HD2 H 1 2.51 0.02 . 2 . . . . . . . . . 4838 1 48 . 1 1 11 11 ILE H H 1 8.65 0.02 . 1 . . . . . . . . . 4838 1 49 . 1 1 11 11 ILE HA H 1 3.86 0.02 . 1 . . . . . . . . . 4838 1 50 . 1 1 11 11 ILE HB H 1 0.91 0.02 . 1 . . . . . . . . . 4838 1 51 . 1 1 11 11 ILE HG21 H 1 0.43 0.02 . 1 . . . . . . . . . 4838 1 52 . 1 1 11 11 ILE HG22 H 1 0.43 0.02 . 1 . . . . . . . . . 4838 1 53 . 1 1 11 11 ILE HG23 H 1 0.43 0.02 . 1 . . . . . . . . . 4838 1 54 . 1 1 11 11 ILE HD11 H 1 0.35 0.02 . 1 . . . . . . . . . 4838 1 55 . 1 1 11 11 ILE HD12 H 1 0.35 0.02 . 1 . . . . . . . . . 4838 1 56 . 1 1 11 11 ILE HD13 H 1 0.35 0.02 . 1 . . . . . . . . . 4838 1 57 . 1 1 12 12 SER H H 1 7.63 0.02 . 1 . . . . . . . . . 4838 1 58 . 1 1 12 12 SER HA H 1 5.01 0.02 . 1 . . . . . . . . . 4838 1 59 . 1 1 12 12 SER HB2 H 1 3.86 0.02 . 1 . . . . . . . . . 4838 1 60 . 1 1 13 13 ALA H H 1 8.29 0.02 . 1 . . . . . . . . . 4838 1 61 . 1 1 13 13 ALA HA H 1 5.12 0.02 . 1 . . . . . . . . . 4838 1 62 . 1 1 13 13 ALA HB1 H 1 0.94 0.02 . 1 . . . . . . . . . 4838 1 63 . 1 1 13 13 ALA HB2 H 1 0.94 0.02 . 1 . . . . . . . . . 4838 1 64 . 1 1 13 13 ALA HB3 H 1 0.94 0.02 . 1 . . . . . . . . . 4838 1 65 . 1 1 14 14 VAL H H 1 8.91 0.02 . 1 . . . . . . . . . 4838 1 66 . 1 1 14 14 VAL HA H 1 4.72 0.02 . 1 . . . . . . . . . 4838 1 67 . 1 1 14 14 VAL HB H 1 2.14 0.02 . 1 . . . . . . . . . 4838 1 68 . 1 1 14 14 VAL HG11 H 1 0.90 0.02 . 1 . . . . . . . . . 4838 1 69 . 1 1 14 14 VAL HG12 H 1 0.90 0.02 . 1 . . . . . . . . . 4838 1 70 . 1 1 14 14 VAL HG13 H 1 0.90 0.02 . 1 . . . . . . . . . 4838 1 71 . 1 1 14 14 VAL HG21 H 1 0.62 0.02 . 1 . . . . . . . . . 4838 1 72 . 1 1 14 14 VAL HG22 H 1 0.62 0.02 . 1 . . . . . . . . . 4838 1 73 . 1 1 14 14 VAL HG23 H 1 0.62 0.02 . 1 . . . . . . . . . 4838 1 74 . 1 1 15 15 THR H H 1 8.54 0.02 . 1 . . . . . . . . . 4838 1 75 . 1 1 15 15 THR HA H 1 4.46 0.02 . 1 . . . . . . . . . 4838 1 76 . 1 1 15 15 THR HB H 1 4.07 0.02 . 1 . . . . . . . . . 4838 1 77 . 1 1 15 15 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . . 4838 1 78 . 1 1 15 15 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . . 4838 1 79 . 1 1 15 15 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . . 4838 1 80 . 1 1 16 16 CYS H H 1 8.89 0.02 . 1 . . . . . . . . . 4838 1 81 . 1 1 16 16 CYS HA H 1 4.91 0.02 . 1 . . . . . . . . . 4838 1 82 . 1 1 16 16 CYS HB2 H 1 3.33 0.02 . 1 . . . . . . . . . 4838 1 83 . 1 1 16 16 CYS HB3 H 1 3.08 0.02 . 1 . . . . . . . . . 4838 1 84 . 1 1 17 17 PRO HA H 1 4.10 0.02 . 1 . . . . . . . . . 4838 1 85 . 1 1 17 17 PRO HB2 H 1 2.00 0.02 . 1 . . . . . . . . . 4838 1 86 . 1 1 17 17 PRO HG2 H 1 2.17 0.02 . 1 . . . . . . . . . 4838 1 87 . 1 1 17 17 PRO HD2 H 1 3.63 0.02 . 1 . . . . . . . . . 4838 1 88 . 1 1 19 19 GLY H H 1 8.82 0.02 . 1 . . . . . . . . . 4838 1 89 . 1 1 19 19 GLY HA2 H 1 4.36 0.02 . 1 . . . . . . . . . 4838 1 90 . 1 1 19 19 GLY HA3 H 1 3.73 0.02 . 1 . . . . . . . . . 4838 1 91 . 1 1 20 20 GLU H H 1 7.92 0.02 . 1 . . . . . . . . . 4838 1 92 . 1 1 20 20 GLU HA H 1 4.40 0.02 . 1 . . . . . . . . . 4838 1 93 . 1 1 20 20 GLU HB2 H 1 2.07 0.02 . 1 . . . . . . . . . 4838 1 94 . 1 1 20 20 GLU HG2 H 1 2.37 0.02 . 1 . . . . . . . . . 4838 1 95 . 1 1 20 20 GLU HG3 H 1 2.28 0.02 . 1 . . . . . . . . . 4838 1 96 . 1 1 21 21 ASN H H 1 8.08 0.02 . 1 . . . . . . . . . 4838 1 97 . 1 1 21 21 ASN HA H 1 5.03 0.02 . 1 . . . . . . . . . 4838 1 98 . 1 1 21 21 ASN HB2 H 1 2.71 0.02 . 1 . . . . . . . . . 4838 1 99 . 1 1 21 21 ASN HD21 H 1 2.71 0.02 . 1 . . . . . . . . . 4838 1 100 . 1 1 22 22 LEU H H 1 8.29 0.02 . 1 . . . . . . . . . 4838 1 101 . 1 1 22 22 LEU HA H 1 5.04 0.02 . 1 . . . . . . . . . 4838 1 102 . 1 1 22 22 LEU HB2 H 1 1.77 0.02 . 1 . . . . . . . . . 4838 1 103 . 1 1 22 22 LEU HB3 H 1 1.64 0.02 . 1 . . . . . . . . . 4838 1 104 . 1 1 22 22 LEU HG H 1 1.54 0.02 . 1 . . . . . . . . . 4838 1 105 . 1 1 22 22 LEU HD11 H 1 0.85 0.02 . 1 . . . . . . . . . 4838 1 106 . 1 1 22 22 LEU HD12 H 1 0.85 0.02 . 1 . . . . . . . . . 4838 1 107 . 1 1 22 22 LEU HD13 H 1 0.85 0.02 . 1 . . . . . . . . . 4838 1 108 . 1 1 22 22 LEU HD21 H 1 0.78 0.02 . 1 . . . . . . . . . 4838 1 109 . 1 1 22 22 LEU HD22 H 1 0.78 0.02 . 1 . . . . . . . . . 4838 1 110 . 1 1 22 22 LEU HD23 H 1 0.78 0.02 . 1 . . . . . . . . . 4838 1 111 . 1 1 23 23 CYS H H 1 8.80 0.02 . 1 . . . . . . . . . 4838 1 112 . 1 1 23 23 CYS HA H 1 5.98 0.02 . 1 . . . . . . . . . 4838 1 113 . 1 1 23 23 CYS HB2 H 1 3.29 0.02 . 1 . . . . . . . . . 4838 1 114 . 1 1 23 23 CYS HG H 1 2.91 0.02 . 1 . . . . . . . . . 4838 1 115 . 1 1 24 24 TYR H H 1 9.04 0.02 . 1 . . . . . . . . . 4838 1 116 . 1 1 24 24 TYR HA H 1 6.06 0.02 . 1 . . . . . . . . . 4838 1 117 . 1 1 24 24 TYR HB2 H 1 3.08 0.02 . 1 . . . . . . . . . 4838 1 118 . 1 1 24 24 TYR HB3 H 1 2.74 0.02 . 1 . . . . . . . . . 4838 1 119 . 1 1 25 25 ARG H H 1 9.08 0.02 . 1 . . . . . . . . . 4838 1 120 . 1 1 25 25 ARG HA H 1 5.34 0.02 . 1 . . . . . . . . . 4838 1 121 . 1 1 25 25 ARG HB2 H 1 1.98 0.02 . 1 . . . . . . . . . 4838 1 122 . 1 1 25 25 ARG HB3 H 1 1.43 0.02 . 1 . . . . . . . . . 4838 1 123 . 1 1 25 25 ARG HG2 H 1 1.33 0.02 . 1 . . . . . . . . . 4838 1 124 . 1 1 25 25 ARG HD2 H 1 1.98 0.02 . 1 . . . . . . . . . 4838 1 125 . 1 1 26 26 LYS H H 1 9.91 0.02 . 1 . . . . . . . . . 4838 1 126 . 1 1 26 26 LYS HA H 1 5.89 0.02 . 1 . . . . . . . . . 4838 1 127 . 1 1 26 26 LYS HB2 H 1 2.23 0.02 . 1 . . . . . . . . . 4838 1 128 . 1 1 26 26 LYS HG2 H 1 1.70 0.02 . 1 . . . . . . . . . 4838 1 129 . 1 1 26 26 LYS HD2 H 1 1.99 0.02 . 1 . . . . . . . . . 4838 1 130 . 1 1 26 26 LYS HE2 H 1 2.64 0.02 . 1 . . . . . . . . . 4838 1 131 . 1 1 27 27 MET H H 1 9.28 0.02 . 1 . . . . . . . . . 4838 1 132 . 1 1 27 27 MET HA H 1 6.26 0.02 . 1 . . . . . . . . . 4838 1 133 . 1 1 27 27 MET HB2 H 1 2.04 0.02 . 1 . . . . . . . . . 4838 1 134 . 1 1 27 27 MET HG2 H 1 2.70 0.02 . 1 . . . . . . . . . 4838 1 135 . 1 1 27 27 MET HE1 H 1 2.47 0.02 . 1 . . . . . . . . . 4838 1 136 . 1 1 27 27 MET HE2 H 1 2.47 0.02 . 1 . . . . . . . . . 4838 1 137 . 1 1 27 27 MET HE3 H 1 2.47 0.02 . 1 . . . . . . . . . 4838 1 138 . 1 1 28 28 TRP H H 1 8.11 0.02 . 1 . . . . . . . . . 4838 1 139 . 1 1 28 28 TRP HA H 1 5.24 0.02 . 1 . . . . . . . . . 4838 1 140 . 1 1 28 28 TRP HB2 H 1 3.83 0.02 . 1 . . . . . . . . . 4838 1 141 . 1 1 28 28 TRP HB3 H 1 3.52 0.02 . 1 . . . . . . . . . 4838 1 142 . 1 1 29 29 CYS H H 1 9.60 0.02 . 1 . . . . . . . . . 4838 1 143 . 1 1 29 29 CYS HA H 1 5.45 0.02 . 1 . . . . . . . . . 4838 1 144 . 1 1 29 29 CYS HB2 H 1 3.52 0.02 . 1 . . . . . . . . . 4838 1 145 . 1 1 29 29 CYS HB3 H 1 3.13 0.02 . 1 . . . . . . . . . 4838 1 146 . 1 1 30 30 ASP H H 1 9.39 0.02 . 1 . . . . . . . . . 4838 1 147 . 1 1 30 30 ASP HA H 1 5.07 0.02 . 1 . . . . . . . . . 4838 1 148 . 1 1 30 30 ASP HB2 H 1 3.87 0.02 . 1 . . . . . . . . . 4838 1 149 . 1 1 30 30 ASP HB3 H 1 2.83 0.02 . 1 . . . . . . . . . 4838 1 150 . 1 1 31 31 ALA H H 1 8.18 0.02 . 1 . . . . . . . . . 4838 1 151 . 1 1 31 31 ALA HA H 1 4.12 0.02 . 1 . . . . . . . . . 4838 1 152 . 1 1 31 31 ALA HB1 H 1 1.10 0.02 . 1 . . . . . . . . . 4838 1 153 . 1 1 31 31 ALA HB2 H 1 1.10 0.02 . 1 . . . . . . . . . 4838 1 154 . 1 1 31 31 ALA HB3 H 1 1.10 0.02 . 1 . . . . . . . . . 4838 1 155 . 1 1 32 32 PHE H H 1 8.84 0.02 . 1 . . . . . . . . . 4838 1 156 . 1 1 32 32 PHE HA H 1 4.80 0.02 . 1 . . . . . . . . . 4838 1 157 . 1 1 32 32 PHE HB2 H 1 3.03 0.02 . 1 . . . . . . . . . 4838 1 158 . 1 1 32 32 PHE HB3 H 1 2.80 0.02 . 1 . . . . . . . . . 4838 1 159 . 1 1 33 33 CYS H H 1 7.73 0.02 . 1 . . . . . . . . . 4838 1 160 . 1 1 33 33 CYS HA H 1 5.15 0.02 . 1 . . . . . . . . . 4838 1 161 . 1 1 33 33 CYS HB2 H 1 3.17 0.02 . 1 . . . . . . . . . 4838 1 162 . 1 1 33 33 CYS HB3 H 1 3.79 0.02 . 1 . . . . . . . . . 4838 1 163 . 1 1 33 33 CYS HG H 1 3.17 0.02 . 1 . . . . . . . . . 4838 1 164 . 1 1 34 34 SER H H 1 9.03 0.02 . 1 . . . . . . . . . 4838 1 165 . 1 1 34 34 SER HA H 1 4.34 0.02 . 1 . . . . . . . . . 4838 1 166 . 1 1 34 34 SER HB2 H 1 4.08 0.02 . 2 . . . . . . . . . 4838 1 167 . 1 1 34 34 SER HB3 H 1 4.03 0.02 . 2 . . . . . . . . . 4838 1 168 . 1 1 35 35 SER H H 1 7.66 0.02 . 1 . . . . . . . . . 4838 1 169 . 1 1 35 35 SER HA H 1 4.76 0.02 . 1 . . . . . . . . . 4838 1 170 . 1 1 35 35 SER HB2 H 1 3.95 0.02 . 1 . . . . . . . . . 4838 1 171 . 1 1 35 35 SER HB3 H 1 3.91 0.02 . 1 . . . . . . . . . 4838 1 172 . 1 1 36 36 ARG H H 1 8.39 0.02 . 1 . . . . . . . . . 4838 1 173 . 1 1 36 36 ARG HA H 1 4.51 0.02 . 1 . . . . . . . . . 4838 1 174 . 1 1 37 37 GLY H H 1 7.31 0.02 . 1 . . . . . . . . . 4838 1 175 . 1 1 37 37 GLY HA2 H 1 3.87 0.02 . 1 . . . . . . . . . 4838 1 176 . 1 1 37 37 GLY HA3 H 1 4.62 0.02 . 1 . . . . . . . . . 4838 1 177 . 1 1 38 38 LYS H H 1 7.93 0.02 . 1 . . . . . . . . . 4838 1 178 . 1 1 38 38 LYS HA H 1 4.36 0.02 . 1 . . . . . . . . . 4838 1 179 . 1 1 38 38 LYS HB2 H 1 1.86 0.02 . 1 . . . . . . . . . 4838 1 180 . 1 1 38 38 LYS HG2 H 1 1.32 0.02 . 2 . . . . . . . . . 4838 1 181 . 1 1 38 38 LYS HD2 H 1 1.49 0.02 . 1 . . . . . . . . . 4838 1 182 . 1 1 38 38 LYS HE2 H 1 1.86 0.02 . 2 . . . . . . . . . 4838 1 183 . 1 1 39 39 VAL H H 1 8.72 0.02 . 1 . . . . . . . . . 4838 1 184 . 1 1 39 39 VAL HA H 1 3.62 0.02 . 1 . . . . . . . . . 4838 1 185 . 1 1 39 39 VAL HB H 1 0.45 0.02 . 1 . . . . . . . . . 4838 1 186 . 1 1 39 39 VAL HG11 H 1 0.32 0.02 . 1 . . . . . . . . . 4838 1 187 . 1 1 39 39 VAL HG12 H 1 0.32 0.02 . 1 . . . . . . . . . 4838 1 188 . 1 1 39 39 VAL HG13 H 1 0.32 0.02 . 1 . . . . . . . . . 4838 1 189 . 1 1 39 39 VAL HG21 H 1 0.19 0.02 . 1 . . . . . . . . . 4838 1 190 . 1 1 39 39 VAL HG22 H 1 0.19 0.02 . 1 . . . . . . . . . 4838 1 191 . 1 1 39 39 VAL HG23 H 1 0.19 0.02 . 1 . . . . . . . . . 4838 1 192 . 1 1 40 40 VAL H H 1 8.30 0.02 . 1 . . . . . . . . . 4838 1 193 . 1 1 40 40 VAL HA H 1 4.57 0.02 . 1 . . . . . . . . . 4838 1 194 . 1 1 40 40 VAL HB H 1 0.59 0.02 . 1 . . . . . . . . . 4838 1 195 . 1 1 40 40 VAL HG11 H 1 0.51 0.02 . 1 . . . . . . . . . 4838 1 196 . 1 1 40 40 VAL HG12 H 1 0.51 0.02 . 1 . . . . . . . . . 4838 1 197 . 1 1 40 40 VAL HG13 H 1 0.51 0.02 . 1 . . . . . . . . . 4838 1 198 . 1 1 41 41 GLU H H 1 9.29 0.02 . 1 . . . . . . . . . 4838 1 199 . 1 1 41 41 GLU HA H 1 5.08 0.02 . 1 . . . . . . . . . 4838 1 200 . 1 1 41 41 GLU HB2 H 1 2.64 0.02 . 2 . . . . . . . . . 4838 1 201 . 1 1 41 41 GLU HB3 H 1 2.35 0.02 . 2 . . . . . . . . . 4838 1 202 . 1 1 41 41 GLU HG2 H 1 2.41 0.02 . 2 . . . . . . . . . 4838 1 203 . 1 1 42 42 LEU H H 1 8.76 0.02 . 1 . . . . . . . . . 4838 1 204 . 1 1 42 42 LEU HA H 1 5.17 0.02 . 1 . . . . . . . . . 4838 1 205 . 1 1 42 42 LEU HB2 H 1 1.60 0.02 . 1 . . . . . . . . . 4838 1 206 . 1 1 42 42 LEU HB3 H 1 1.54 0.02 . 1 . . . . . . . . . 4838 1 207 . 1 1 42 42 LEU HG H 1 1.48 0.02 . 1 . . . . . . . . . 4838 1 208 . 1 1 42 42 LEU HD11 H 1 0.79 0.02 . 1 . . . . . . . . . 4838 1 209 . 1 1 42 42 LEU HD12 H 1 0.79 0.02 . 1 . . . . . . . . . 4838 1 210 . 1 1 42 42 LEU HD13 H 1 0.79 0.02 . 1 . . . . . . . . . 4838 1 211 . 1 1 42 42 LEU HD21 H 1 0.87 0.02 . 1 . . . . . . . . . 4838 1 212 . 1 1 42 42 LEU HD22 H 1 0.87 0.02 . 1 . . . . . . . . . 4838 1 213 . 1 1 42 42 LEU HD23 H 1 0.87 0.02 . 1 . . . . . . . . . 4838 1 214 . 1 1 43 43 GLY H H 1 6.75 0.02 . 1 . . . . . . . . . 4838 1 215 . 1 1 43 43 GLY HA2 H 1 4.39 0.02 . 1 . . . . . . . . . 4838 1 216 . 1 1 43 43 GLY HA3 H 1 4.08 0.02 . 1 . . . . . . . . . 4838 1 217 . 1 1 44 44 CYS H H 1 8.51 0.02 . 1 . . . . . . . . . 4838 1 218 . 1 1 44 44 CYS HA H 1 5.62 0.02 . 1 . . . . . . . . . 4838 1 219 . 1 1 44 44 CYS HB2 H 1 3.31 0.02 . 1 . . . . . . . . . 4838 1 220 . 1 1 44 44 CYS HB3 H 1 3.11 0.02 . 1 . . . . . . . . . 4838 1 221 . 1 1 45 45 ALA H H 1 9.41 0.02 . 1 . . . . . . . . . 4838 1 222 . 1 1 45 45 ALA HA H 1 4.65 0.02 . 1 . . . . . . . . . 4838 1 223 . 1 1 45 45 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . . 4838 1 224 . 1 1 45 45 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . . 4838 1 225 . 1 1 45 45 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . . 4838 1 226 . 1 1 46 46 ALA H H 1 8.80 0.02 . 1 . . . . . . . . . 4838 1 227 . 1 1 46 46 ALA HA H 1 4.91 0.02 . 1 . . . . . . . . . 4838 1 228 . 1 1 46 46 ALA HB1 H 1 1.60 0.02 . 1 . . . . . . . . . 4838 1 229 . 1 1 46 46 ALA HB2 H 1 1.60 0.02 . 1 . . . . . . . . . 4838 1 230 . 1 1 46 46 ALA HB3 H 1 1.60 0.02 . 1 . . . . . . . . . 4838 1 231 . 1 1 47 47 THR H H 1 7.45 0.02 . 1 . . . . . . . . . 4838 1 232 . 1 1 47 47 THR HA H 1 4.40 0.02 . 1 . . . . . . . . . 4838 1 233 . 1 1 47 47 THR HB H 1 4.03 0.02 . 1 . . . . . . . . . 4838 1 234 . 1 1 47 47 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . . 4838 1 235 . 1 1 47 47 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . . 4838 1 236 . 1 1 47 47 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . . 4838 1 237 . 1 1 48 48 CYS H H 1 9.41 0.02 . 1 . . . . . . . . . 4838 1 238 . 1 1 48 48 CYS HA H 1 4.61 0.02 . 1 . . . . . . . . . 4838 1 239 . 1 1 48 48 CYS HB2 H 1 2.99 0.02 . 1 . . . . . . . . . 4838 1 240 . 1 1 48 48 CYS HB3 H 1 2.95 0.02 . 1 . . . . . . . . . 4838 1 241 . 1 1 49 49 PRO HA H 1 3.9 0.02 . 1 . . . . . . . . . 4838 1 242 . 1 1 49 49 PRO HB2 H 1 2.15 0.02 . 1 . . . . . . . . . 4838 1 243 . 1 1 49 49 PRO HD2 H 1 3.8 0.02 . 1 . . . . . . . . . 4838 1 244 . 1 1 50 50 SER H H 1 8.07 0.02 . 1 . . . . . . . . . 4838 1 245 . 1 1 50 50 SER HA H 1 4.25 0.02 . 1 . . . . . . . . . 4838 1 246 . 1 1 50 50 SER HB2 H 1 3.86 0.02 . 1 . . . . . . . . . 4838 1 247 . 1 1 50 50 SER HB3 H 1 3.81 0.02 . 1 . . . . . . . . . 4838 1 248 . 1 1 51 51 LYS H H 1 8.32 0.02 . 1 . . . . . . . . . 4838 1 249 . 1 1 51 51 LYS HA H 1 4.47 0.02 . 1 . . . . . . . . . 4838 1 250 . 1 1 51 51 LYS HB2 H 1 1.92 0.02 . 1 . . . . . . . . . 4838 1 251 . 1 1 51 51 LYS HG2 H 1 1.53 0.02 . 1 . . . . . . . . . 4838 1 252 . 1 1 51 51 LYS HE2 H 1 1.92 0.02 . 1 . . . . . . . . . 4838 1 253 . 1 1 52 52 LYS H H 1 8.54 0.02 . 1 . . . . . . . . . 4838 1 254 . 1 1 52 52 LYS HA H 1 4.57 0.02 . 1 . . . . . . . . . 4838 1 255 . 1 1 52 52 LYS HB2 H 1 1.58 0.02 . 1 . . . . . . . . . 4838 1 256 . 1 1 52 52 LYS HG2 H 1 0.90 0.02 . 1 . . . . . . . . . 4838 1 257 . 1 1 52 52 LYS HD2 H 1 1.42 0.02 . 1 . . . . . . . . . 4838 1 258 . 1 1 52 52 LYS HE3 H 1 1.58 0.02 . 1 . . . . . . . . . 4838 1 259 . 1 1 53 53 PRO HA H 1 4.7 0.02 . 1 . . . . . . . . . 4838 1 260 . 1 1 53 53 PRO HB2 H 1 3.3 0.02 . 1 . . . . . . . . . 4838 1 261 . 1 1 53 53 PRO HG2 H 1 2.8 0.02 . 1 . . . . . . . . . 4838 1 262 . 1 1 53 53 PRO HD2 H 1 4.6 0.02 . 1 . . . . . . . . . 4838 1 263 . 1 1 54 54 TYR H H 1 7.05 0.02 . 1 . . . . . . . . . 4838 1 264 . 1 1 54 54 TYR HA H 1 3.57 0.02 . 1 . . . . . . . . . 4838 1 265 . 1 1 54 54 TYR HB2 H 1 3.21 0.02 . 1 . . . . . . . . . 4838 1 266 . 1 1 54 54 TYR HB3 H 1 3.06 0.02 . 1 . . . . . . . . . 4838 1 267 . 1 1 55 55 GLU H H 1 7.75 0.02 . 1 . . . . . . . . . 4838 1 268 . 1 1 55 55 GLU HA H 1 5.16 0.02 . 1 . . . . . . . . . 4838 1 269 . 1 1 55 55 GLU HB2 H 1 1.92 0.02 . 1 . . . . . . . . . 4838 1 270 . 1 1 55 55 GLU HB3 H 1 2.18 0.02 . 1 . . . . . . . . . 4838 1 271 . 1 1 55 55 GLU HG2 H 1 2.04 0.02 . 1 . . . . . . . . . 4838 1 272 . 1 1 56 56 GLU H H 1 8.96 0.02 . 1 . . . . . . . . . 4838 1 273 . 1 1 56 56 GLU HA H 1 4.85 0.02 . 1 . . . . . . . . . 4838 1 274 . 1 1 56 56 GLU HB2 H 1 2.18 0.02 . 1 . . . . . . . . . 4838 1 275 . 1 1 56 56 GLU HG2 H 1 2.38 0.02 . 1 . . . . . . . . . 4838 1 276 . 1 1 56 56 GLU HG3 H 1 2.34 0.02 . 1 . . . . . . . . . 4838 1 277 . 1 1 57 57 VAL H H 1 8.58 0.02 . 1 . . . . . . . . . 4838 1 278 . 1 1 57 57 VAL HA H 1 5.36 0.02 . 1 . . . . . . . . . 4838 1 279 . 1 1 57 57 VAL HB H 1 1.95 0.02 . 1 . . . . . . . . . 4838 1 280 . 1 1 57 57 VAL HG11 H 1 1.02 0.02 . 1 . . . . . . . . . 4838 1 281 . 1 1 57 57 VAL HG12 H 1 1.02 0.02 . 1 . . . . . . . . . 4838 1 282 . 1 1 57 57 VAL HG13 H 1 1.02 0.02 . 1 . . . . . . . . . 4838 1 283 . 1 1 57 57 VAL HG21 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 1 284 . 1 1 57 57 VAL HG22 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 1 285 . 1 1 57 57 VAL HG23 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 1 286 . 1 1 58 58 THR H H 1 9.15 0.02 . 1 . . . . . . . . . 4838 1 287 . 1 1 58 58 THR HA H 1 4.82 0.02 . 1 . . . . . . . . . 4838 1 288 . 1 1 58 58 THR HB H 1 4.07 0.02 . 1 . . . . . . . . . 4838 1 289 . 1 1 58 58 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . . 4838 1 290 . 1 1 58 58 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . . 4838 1 291 . 1 1 58 58 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . . 4838 1 292 . 1 1 59 59 CYS H H 1 9.20 0.02 . 1 . . . . . . . . . 4838 1 293 . 1 1 59 59 CYS HA H 1 5.68 0.02 . 1 . . . . . . . . . 4838 1 294 . 1 1 59 59 CYS HB2 H 1 3.79 0.02 . 1 . . . . . . . . . 4838 1 295 . 1 1 59 59 CYS HB3 H 1 3.08 0.02 . 1 . . . . . . . . . 4838 1 296 . 1 1 60 60 CYS H H 1 9.25 0.02 . 1 . . . . . . . . . 4838 1 297 . 1 1 60 60 CYS HA H 1 5.19 0.02 . 1 . . . . . . . . . 4838 1 298 . 1 1 60 60 CYS HB2 H 1 3.65 0.02 . 1 . . . . . . . . . 4838 1 299 . 1 1 60 60 CYS HB3 H 1 3.47 0.02 . 1 . . . . . . . . . 4838 1 300 . 1 1 61 61 SER H H 1 8.91 0.02 . 1 . . . . . . . . . 4838 1 301 . 1 1 61 61 SER HA H 1 5.00 0.02 . 1 . . . . . . . . . 4838 1 302 . 1 1 61 61 SER HB2 H 1 4.26 0.02 . 1 . . . . . . . . . 4838 1 303 . 1 1 61 61 SER HB3 H 1 3.87 0.02 . 1 . . . . . . . . . 4838 1 304 . 1 1 62 62 THR H H 1 7.53 0.02 . 1 . . . . . . . . . 4838 1 305 . 1 1 62 62 THR HA H 1 4.81 0.02 . 1 . . . . . . . . . 4838 1 306 . 1 1 62 62 THR HB H 1 4.33 0.02 . 1 . . . . . . . . . 4838 1 307 . 1 1 62 62 THR HG21 H 1 1.28 0.02 . 1 . . . . . . . . . 4838 1 308 . 1 1 62 62 THR HG22 H 1 1.28 0.02 . 1 . . . . . . . . . 4838 1 309 . 1 1 62 62 THR HG23 H 1 1.28 0.02 . 1 . . . . . . . . . 4838 1 310 . 1 1 63 63 ASP H H 1 8.36 0.02 . 1 . . . . . . . . . 4838 1 311 . 1 1 63 63 ASP HA H 1 4.85 0.02 . 1 . . . . . . . . . 4838 1 312 . 1 1 63 63 ASP HB2 H 1 2.56 0.02 . 1 . . . . . . . . . 4838 1 313 . 1 1 63 63 ASP HB3 H 1 2.36 0.02 . 1 . . . . . . . . . 4838 1 314 . 1 1 64 64 LYS H H 1 9.98 0.02 . 1 . . . . . . . . . 4838 1 315 . 1 1 64 64 LYS HA H 1 3.16 0.02 . 1 . . . . . . . . . 4838 1 316 . 1 1 64 64 LYS HB2 H 1 1.81 0.02 . 1 . . . . . . . . . 4838 1 317 . 1 1 64 64 LYS HG2 H 1 0.35 0.02 . 1 . . . . . . . . . 4838 1 318 . 1 1 64 64 LYS HD2 H 1 1.02 0.02 . 1 . . . . . . . . . 4838 1 319 . 1 1 64 64 LYS HE2 H 1 2.08 0.02 . 1 . . . . . . . . . 4838 1 320 . 1 1 65 65 CYS H H 1 7.69 0.02 . 1 . . . . . . . . . 4838 1 321 . 1 1 65 65 CYS HA H 1 4.61 0.02 . 1 . . . . . . . . . 4838 1 322 . 1 1 65 65 CYS HB2 H 1 3.82 0.02 . 1 . . . . . . . . . 4838 1 323 . 1 1 65 65 CYS HB3 H 1 3.59 0.02 . 1 . . . . . . . . . 4838 1 324 . 1 1 66 66 ASN H H 1 9.00 0.02 . 1 . . . . . . . . . 4838 1 325 . 1 1 66 66 ASN HA H 1 5.02 0.02 . 1 . . . . . . . . . 4838 1 326 . 1 1 66 66 ASN HB2 H 1 2.06 0.02 . 1 . . . . . . . . . 4838 1 327 . 1 1 66 66 ASN HD21 H 1 2.06 0.02 . 1 . . . . . . . . . 4838 1 328 . 1 1 67 67 PRO HA H 1 3.7 0.02 . 1 . . . . . . . . . 4838 1 329 . 1 1 67 67 PRO HB2 H 1 1.8 0.02 . 1 . . . . . . . . . 4838 1 330 . 1 1 67 67 PRO HG2 H 1 1.6 0.02 . 1 . . . . . . . . . 4838 1 331 . 1 1 67 67 PRO HD2 H 1 3.5 0.02 . 1 . . . . . . . . . 4838 1 332 . 1 1 68 68 HIS H H 1 8.49 0.02 . 1 . . . . . . . . . 4838 1 333 . 1 1 68 68 HIS HA H 1 4.02 0.02 . 1 . . . . . . . . . 4838 1 334 . 1 1 68 68 HIS HB2 H 1 2.81 0.02 . 1 . . . . . . . . . 4838 1 335 . 1 1 68 68 HIS HD1 H 1 2.73 0.02 . 1 . . . . . . . . . 4838 1 336 . 1 1 69 69 PRO HA H 1 4.3 0.02 . 1 . . . . . . . . . 4838 1 337 . 1 1 69 69 PRO HB2 H 1 3.2 0.02 . 1 . . . . . . . . . 4838 1 338 . 1 1 69 69 PRO HG2 H 1 1.97 0.02 . 1 . . . . . . . . . 4838 1 339 . 1 1 69 69 PRO HD2 H 1 3.4 0.02 . 1 . . . . . . . . . 4838 1 340 . 1 1 70 70 LYS H H 1 10.38 0.02 . 1 . . . . . . . . . 4838 1 341 . 1 1 70 70 LYS HA H 1 4.63 0.02 . 1 . . . . . . . . . 4838 1 342 . 1 1 70 70 LYS HB2 H 1 1.82 0.02 . 1 . . . . . . . . . 4838 1 343 . 1 1 70 70 LYS HG2 H 1 1.60 0.02 . 1 . . . . . . . . . 4838 1 344 . 1 1 70 70 LYS HD2 H 1 1.75 0.02 . 1 . . . . . . . . . 4838 1 345 . 1 1 70 70 LYS HE2 H 1 2.20 0.02 . 1 . . . . . . . . . 4838 1 346 . 1 1 71 71 ARG H H 1 8.10 0.02 . 1 . . . . . . . . . 4838 1 347 . 1 1 71 71 ARG HA H 1 4.38 0.02 . 1 . . . . . . . . . 4838 1 348 . 1 1 71 71 ARG HB2 H 1 2.18 0.02 . 1 . . . . . . . . . 4838 1 349 . 1 1 71 71 ARG HG2 H 1 2.08 0.02 . 1 . . . . . . . . . 4838 1 350 . 1 1 71 71 ARG HD2 H 1 2.35 0.02 . 1 . . . . . . . . . 4838 1 351 . 1 1 72 72 GLN H H 1 8.36 0.02 . 1 . . . . . . . . . 4838 1 352 . 1 1 72 72 GLN HA H 1 4.63 0.02 . 1 . . . . . . . . . 4838 1 353 . 1 1 72 72 GLN HB2 H 1 1.93 0.02 . 1 . . . . . . . . . 4838 1 354 . 1 1 72 72 GLN HB3 H 1 1.83 0.02 . 1 . . . . . . . . . 4838 1 355 . 1 1 74 74 GLY H H 1 7.93 0.02 . 1 . . . . . . . . . 4838 1 356 . 1 1 74 74 GLY HA2 H 1 3.88 0.02 . 1 . . . . . . . . . 4838 1 357 . 1 1 74 74 GLY HA3 H 1 3.74 0.02 . 1 . . . . . . . . . 4838 1 stop_ save_ save_CS_ap25 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CS_ap25 _Assigned_chem_shift_list.Entry_ID 4838 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ex-cond1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 HOHAHA 1 $sample_1 . 4838 2 2 NOESY 1 $sample_1 . 4838 2 3 DQF-COSY 1 $sample_1 . 4838 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.Ambiguity_set_ID _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 2 2 GLU H H 1 8.82 0.02 . 1 . . . . . . . . . 4838 2 2 . 2 2 2 2 GLU HA H 1 4.75 0.02 . 1 . . . . . . . . . 4838 2 3 . 2 2 2 2 GLU HB2 H 1 1.94 0.02 . 1 . . . . . . . . . 4838 2 4 . 2 2 2 2 GLU HB3 H 1 2.38 0.02 . 1 . . . . . . . . . 4838 2 5 . 2 2 2 2 GLU HG2 H 1 2.10 0.02 . 1 . . . . . . . . . 4838 2 6 . 2 2 3 3 ARG H H 1 8.59 0.02 . 1 . . . . . . . . . 4838 2 7 . 2 2 3 3 ARG HA H 1 4.41 0.02 . 1 . . . . . . . . . 4838 2 8 . 2 2 3 3 ARG HB2 H 1 1.79 0.02 . 1 . . . . . . . . . 4838 2 9 . 2 2 3 3 ARG HG2 H 1 1.67 0.02 . 1 . . . . . . . . . 4838 2 10 . 2 2 3 3 ARG HD2 H 1 3.21 0.02 . 1 . . . . . . . . . 4838 2 11 . 2 2 3 3 ARG HE H 1 3.21 0.02 . 1 . . . . . . . . . 4838 2 12 . 2 2 4 4 GLY H H 1 8.45 0.02 . 1 . . . . . . . . . 4838 2 13 . 2 2 4 4 GLY HA2 H 1 4.01 0.02 . 1 . . . . . . . . . 4838 2 14 . 2 2 5 5 TRP H H 1 8.14 0.02 . 1 . . . . . . . . . 4838 2 15 . 2 2 5 5 TRP HA H 1 4.82 0.02 . 1 . . . . . . . . . 4838 2 16 . 2 2 5 5 TRP HB2 H 1 3.36 0.02 . 1 . . . . . . . . . 4838 2 17 . 2 2 5 5 TRP HB3 H 1 3.29 0.02 . 1 . . . . . . . . . 4838 2 18 . 2 2 6 6 LYS H H 1 8.19 0.02 . 1 . . . . . . . . . 4838 2 19 . 2 2 6 6 LYS HA H 1 4.41 0.02 . 1 . . . . . . . . . 4838 2 20 . 2 2 6 6 LYS HB2 H 1 1.37 0.02 . 1 . . . . . . . . . 4838 2 21 . 2 2 6 6 LYS HG2 H 1 1.15 0.02 . 1 . . . . . . . . . 4838 2 22 . 2 2 6 6 LYS HD3 H 1 1.27 0.02 . 1 . . . . . . . . . 4838 2 23 . 2 2 7 7 HIS H H 1 8.32 0.02 . 1 . . . . . . . . . 4838 2 24 . 2 2 7 7 HIS HA H 1 4.68 0.02 . 1 . . . . . . . . . 4838 2 25 . 2 2 7 7 HIS HB2 H 1 3.05 0.02 . 1 . . . . . . . . . 4838 2 26 . 2 2 7 7 HIS HB3 H 1 3.16 0.02 . 1 . . . . . . . . . 4838 2 27 . 2 2 8 8 TRP H H 1 8.05 0.02 . 1 . . . . . . . . . 4838 2 28 . 2 2 8 8 TRP HA H 1 5.15 0.02 . 1 . . . . . . . . . 4838 2 29 . 2 2 8 8 TRP HB2 H 1 3.24 0.02 . 1 . . . . . . . . . 4838 2 30 . 2 2 8 8 TRP HB3 H 1 3.01 0.02 . 1 . . . . . . . . . 4838 2 31 . 2 2 9 9 VAL H H 1 9.48 0.02 . 1 . . . . . . . . . 4838 2 32 . 2 2 9 9 VAL HA H 1 4.53 0.02 . 1 . . . . . . . . . 4838 2 33 . 2 2 9 9 VAL HB H 1 2.05 0.02 . 1 . . . . . . . . . 4838 2 34 . 2 2 9 9 VAL HG11 H 1 0.94 0.02 . 1 . . . . . . . . . 4838 2 35 . 2 2 9 9 VAL HG12 H 1 0.94 0.02 . 1 . . . . . . . . . 4838 2 36 . 2 2 9 9 VAL HG13 H 1 0.94 0.02 . 1 . . . . . . . . . 4838 2 37 . 2 2 9 9 VAL HG21 H 1 0.77 0.02 . 1 . . . . . . . . . 4838 2 38 . 2 2 9 9 VAL HG22 H 1 0.77 0.02 . 1 . . . . . . . . . 4838 2 39 . 2 2 9 9 VAL HG23 H 1 0.77 0.02 . 1 . . . . . . . . . 4838 2 40 . 2 2 10 10 TYR H H 1 8.86 0.02 . 1 . . . . . . . . . 4838 2 41 . 2 2 10 10 TYR HA H 1 5.36 0.02 . 1 . . . . . . . . . 4838 2 42 . 2 2 10 10 TYR HB2 H 1 3.31 0.02 . 1 . . . . . . . . . 4838 2 43 . 2 2 10 10 TYR HB3 H 1 2.78 0.02 . 1 . . . . . . . . . 4838 2 44 . 2 2 11 11 TYR H H 1 9.41 0.02 . 1 . . . . . . . . . 4838 2 45 . 2 2 11 11 TYR HA H 1 5.36 0.02 . 1 . . . . . . . . . 4838 2 46 . 2 2 11 11 TYR HB2 H 1 3.31 0.02 . 1 . . . . . . . . . 4838 2 47 . 2 2 11 11 TYR HB3 H 1 2.93 0.02 . 1 . . . . . . . . . 4838 2 48 . 2 2 12 12 THR H H 1 9.47 0.02 . 1 . . . . . . . . . 4838 2 49 . 2 2 12 12 THR HA H 1 4.52 0.02 . 1 . . . . . . . . . 4838 2 50 . 2 2 12 12 THR HB H 1 3.67 0.02 . 1 . . . . . . . . . 4838 2 51 . 2 2 12 12 THR HG21 H 1 1.26 0.02 . 1 . . . . . . . . . 4838 2 52 . 2 2 12 12 THR HG22 H 1 1.26 0.02 . 1 . . . . . . . . . 4838 2 53 . 2 2 12 12 THR HG23 H 1 1.26 0.02 . 1 . . . . . . . . . 4838 2 54 . 2 2 13 13 CYS H H 1 8.25 0.02 . 1 . . . . . . . . . 4838 2 55 . 2 2 13 13 CYS HA H 1 4.34 0.02 . 1 . . . . . . . . . 4838 2 56 . 2 2 13 13 CYS HB2 H 1 3.80 0.02 . 1 . . . . . . . . . 4838 2 57 . 2 2 13 13 CYS HB3 H 1 3.66 0.02 . 1 . . . . . . . . . 4838 2 58 . 2 2 14 14 CYS H H 1 7.35 0.02 . 1 . . . . . . . . . 4838 2 59 . 2 2 14 14 CYS HA H 1 5.49 0.02 . 1 . . . . . . . . . 4838 2 60 . 2 2 14 14 CYS HB2 H 1 3.97 0.02 . 1 . . . . . . . . . 4838 2 61 . 2 2 14 14 CYS HB3 H 1 3.53 0.02 . 1 . . . . . . . . . 4838 2 62 . 2 2 15 15 PRO HA H 1 4.15 0.02 . 1 . . . . . . . . . 4838 2 63 . 2 2 15 15 PRO HB2 H 1 1.9 0.02 . 1 . . . . . . . . . 4838 2 64 . 2 2 15 15 PRO HG2 H 1 1.7 0.02 . 1 . . . . . . . . . 4838 2 65 . 2 2 15 15 PRO HD2 H 1 3.33 0.02 . 1 . . . . . . . . . 4838 2 66 . 2 2 16 16 ASP H H 1 8.19 0.02 . 1 . . . . . . . . . 4838 2 67 . 2 2 16 16 ASP HA H 1 4.93 0.02 . 1 . . . . . . . . . 4838 2 68 . 2 2 16 16 ASP HB2 H 1 2.89 0.02 . 1 . . . . . . . . . 4838 2 69 . 2 2 16 16 ASP HB3 H 1 2.65 0.02 . 1 . . . . . . . . . 4838 2 70 . 2 2 17 17 THR H H 1 7.01 0.02 . 1 . . . . . . . . . 4838 2 71 . 2 2 17 17 THR HA H 1 4.74 0.02 . 1 . . . . . . . . . 4838 2 72 . 2 2 17 17 THR HB H 1 4.00 0.02 . 1 . . . . . . . . . 4838 2 73 . 2 2 17 17 THR HG21 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 2 74 . 2 2 17 17 THR HG22 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 2 75 . 2 2 17 17 THR HG23 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 2 76 . 2 2 18 18 PRO HA H 1 3.5 0.02 . 1 . . . . . . . . . 4838 2 77 . 2 2 18 18 PRO HB2 H 1 1.43 0.02 . 1 . . . . . . . . . 4838 2 78 . 2 2 18 18 PRO HG2 H 1 1.4 0.02 . 1 . . . . . . . . . 4838 2 79 . 2 2 18 18 PRO HD2 H 1 3.00 0.02 . 1 . . . . . . . . . 4838 2 80 . 2 2 19 19 TYR H H 1 9.37 0.02 . 1 . . . . . . . . . 4838 2 81 . 2 2 19 19 TYR HA H 1 4.68 0.02 . 1 . . . . . . . . . 4838 2 82 . 2 2 19 19 TYR HB2 H 1 3.02 0.02 . 1 . . . . . . . . . 4838 2 83 . 2 2 20 20 LEU H H 1 8.63 0.02 . 1 . . . . . . . . . 4838 2 84 . 2 2 20 20 LEU HA H 1 4.41 0.02 . 1 . . . . . . . . . 4838 2 85 . 2 2 20 20 LEU HB2 H 1 1.59 0.02 . 1 . . . . . . . . . 4838 2 86 . 2 2 20 20 LEU HG H 1 1.29 0.02 . 1 . . . . . . . . . 4838 2 87 . 2 2 20 20 LEU HD11 H 1 0.58 0.02 . 1 . . . . . . . . . 4838 2 88 . 2 2 20 20 LEU HD12 H 1 0.58 0.02 . 1 . . . . . . . . . 4838 2 89 . 2 2 20 20 LEU HD13 H 1 0.58 0.02 . 1 . . . . . . . . . 4838 2 90 . 2 2 20 20 LEU HD21 H 1 0.31 0.02 . 1 . . . . . . . . . 4838 2 91 . 2 2 20 20 LEU HD22 H 1 0.31 0.02 . 1 . . . . . . . . . 4838 2 92 . 2 2 20 20 LEU HD23 H 1 0.31 0.02 . 1 . . . . . . . . . 4838 2 93 . 2 2 21 21 ASP H H 1 8.54 0.02 . 1 . . . . . . . . . 4838 2 94 . 2 2 21 21 ASP HA H 1 4.89 0.02 . 1 . . . . . . . . . 4838 2 95 . 2 2 21 21 ASP HB2 H 1 2.75 0.02 . 1 . . . . . . . . . 4838 2 96 . 2 2 21 21 ASP HB3 H 1 2.60 0.02 . 1 . . . . . . . . . 4838 2 97 . 2 2 22 22 ILE H H 1 8.31 0.02 . 1 . . . . . . . . . 4838 2 98 . 2 2 22 22 ILE HA H 1 4.50 0.02 . 1 . . . . . . . . . 4838 2 99 . 2 2 22 22 ILE HB H 1 2.03 0.02 . 1 . . . . . . . . . 4838 2 100 . 2 2 22 22 ILE HG12 H 1 1.37 0.02 . 1 . . . . . . . . . 4838 2 101 . 2 2 22 22 ILE HG13 H 1 1.22 0.02 . 1 . . . . . . . . . 4838 2 102 . 2 2 22 22 ILE HG21 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 2 103 . 2 2 22 22 ILE HG22 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 2 104 . 2 2 22 22 ILE HG23 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 2 105 . 2 2 23 23 THR H H 1 8.36 0.02 . 1 . . . . . . . . . 4838 2 106 . 2 2 23 23 THR HA H 1 4.38 0.02 . 1 . . . . . . . . . 4838 2 107 . 2 2 23 23 THR HB H 1 3.29 0.02 . 1 . . . . . . . . . 4838 2 108 . 2 2 23 23 THR HG21 H 1 1.33 0.02 . 1 . . . . . . . . . 4838 2 109 . 2 2 23 23 THR HG22 H 1 1.33 0.02 . 1 . . . . . . . . . 4838 2 110 . 2 2 23 23 THR HG23 H 1 1.33 0.02 . 1 . . . . . . . . . 4838 2 111 . 2 2 24 24 GLU H H 1 8.39 0.02 . 1 . . . . . . . . . 4838 2 112 . 2 2 24 24 GLU HA H 1 4.33 0.02 . 1 . . . . . . . . . 4838 2 113 . 2 2 24 24 GLU HB2 H 1 2.01 0.02 . 1 . . . . . . . . . 4838 2 114 . 2 2 24 24 GLU HB3 H 1 2.44 0.02 . 1 . . . . . . . . . 4838 2 115 . 2 2 24 24 GLU HG2 H 1 2.20 0.02 . 1 . . . . . . . . . 4838 2 116 . 2 2 25 25 GLU H H 1 8.00 0.02 . 1 . . . . . . . . . 4838 2 117 . 2 2 25 25 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . . 4838 2 118 . 2 2 25 25 GLU HB2 H 1 1.96 0.02 . 1 . . . . . . . . . 4838 2 119 . 2 2 25 25 GLU HG2 H 1 2.37 0.02 . 1 . . . . . . . . . 4838 2 120 . 2 2 25 25 GLU HG3 H 1 2.14 0.02 . 1 . . . . . . . . . 4838 2 stop_ save_ ######################## # Coupling constants # ######################## save_CC_a-BTX _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode CC_a-BTX _Coupling_constant_list.Entry_ID 4838 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $ex-cond1 _Coupling_constant_list.Spectrometer_frequency_1H 800 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 1 HOHAHA 1 $sample_1 . 4838 1 2 NOESY 1 $sample_1 . 4838 1 3 DQF-COSY 1 $sample_1 . 4838 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_asym_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_asym_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 2 2 VAL H H 1 . . 1 1 2 2 VAL HA H 1 . 10.1 . . . . . . . . . . . . . . . . 4838 1 2 3JHNHA . 1 1 3 3 CYS H H 1 . . 1 1 3 3 CYS HA H 1 . 9.8 . . . . . . . . . . . . . . . . 4838 1 3 3JHNHA . 1 1 4 4 HIS H H 1 . . 1 1 4 4 HIS HA H 1 . 8.9 . . . . . . . . . . . . . . . . 4838 1 4 3JHNHA . 1 1 5 5 THR H H 1 . . 1 1 5 5 THR HA H 1 . 9.4 . . . . . . . . . . . . . . . . 4838 1 5 3JHNHA . 1 1 6 6 THR H H 1 . . 1 1 6 6 THR HA H 1 . 9.8 . . . . . . . . . . . . . . . . 4838 1 6 3JHNHA . 1 1 7 7 ALA H H 1 . . 1 1 7 7 ALA HA H 1 . 6.8 . . . . . . . . . . . . . . . . 4838 1 7 3JHNHA . 1 1 9 9 SER H H 1 . . 1 1 9 9 SER HA H 1 . 9 . . . . . . . . . . . . . . . . 4838 1 8 3JHNHA . 1 1 12 12 SER H H 1 . . 1 1 12 12 SER HA H 1 . 10.1 . . . . . . . . . . . . . . . . 4838 1 9 3JHNHA . 1 1 13 13 ALA H H 1 . . 1 1 13 13 ALA HA H 1 . 9.7 . . . . . . . . . . . . . . . . 4838 1 10 3JHNHA . 1 1 14 14 VAL H H 1 . . 1 1 14 14 VAL HA H 1 . 10.8 . . . . . . . . . . . . . . . . 4838 1 11 3JHNHA . 1 1 15 15 THR H H 1 . . 1 1 15 15 THR HA H 1 . 7.6 . . . . . . . . . . . . . . . . 4838 1 12 3JHNHA . 1 1 16 16 CYS H H 1 . . 1 1 16 16 CYS HA H 1 . 5 . . . . . . . . . . . . . . . . 4838 1 13 3JHNHA . 1 1 19 19 GLY H H 1 . . 1 1 19 19 GLY HA H 1 . 11 . . . . . . . . . . . . . . . . 4838 1 14 3JHNHA . 1 1 20 20 GLU H H 1 . . 1 1 20 20 GLU HA H 1 . 9.6 . . . . . . . . . . . . . . . . 4838 1 15 3JHNHA . 1 1 21 21 ASN H H 1 . . 1 1 21 21 ASN HA H 1 . 9.3 . . . . . . . . . . . . . . . . 4838 1 16 3JHNHA . 1 1 22 22 LEU H H 1 . . 1 1 22 22 LEU HA H 1 . 9.5 . . . . . . . . . . . . . . . . 4838 1 17 3JHNHA . 1 1 23 23 CYS H H 1 . . 1 1 23 23 CYS HA H 1 . 9.6 . . . . . . . . . . . . . . . . 4838 1 18 3JHNHA . 1 1 25 25 ARG H H 1 . . 1 1 25 25 ARG HA H 1 . 9.7 . . . . . . . . . . . . . . . . 4838 1 19 3JHNHA . 1 1 26 26 LYS H H 1 . . 1 1 26 26 LYS HA H 1 . 8.4 . . . . . . . . . . . . . . . . 4838 1 20 3JHNHA . 1 1 27 27 MET H H 1 . . 1 1 27 27 MET HA H 1 . 9.1 . . . . . . . . . . . . . . . . 4838 1 21 3JHNHA . 1 1 28 28 TRP H H 1 . . 1 1 28 28 TRP HA H 1 . 8.5 . . . . . . . . . . . . . . . . 4838 1 22 3JHNHA . 1 1 29 29 CYS H H 1 . . 1 1 29 29 CYS HA H 1 . 8.4 . . . . . . . . . . . . . . . . 4838 1 23 3JHNHA . 1 1 30 30 ASP H H 1 . . 1 1 30 30 ASP HA H 1 . 10.5 . . . . . . . . . . . . . . . . 4838 1 24 3JHNHA . 1 1 32 32 PHE H H 1 . . 1 1 32 32 PHE HA H 1 . 9.1 . . . . . . . . . . . . . . . . 4838 1 25 3JHNHA . 1 1 34 34 SER H H 1 . . 1 1 34 34 SER HA H 1 . 3.4 . . . . . . . . . . . . . . . . 4838 1 26 3JHNHA . 1 1 35 35 SER H H 1 . . 1 1 35 35 SER HA H 1 . 10 . . . . . . . . . . . . . . . . 4838 1 27 3JHNHA . 1 1 36 36 ARG H H 1 . . 1 1 36 36 ARG HA H 1 . 7.8 . . . . . . . . . . . . . . . . 4838 1 28 3JHNHA . 1 1 37 37 GLY H H 1 . . 1 1 37 37 GLY HA H 1 . 8.7 . . . . . . . . . . . . . . . . 4838 1 29 3JHNHA . 1 1 38 38 LYS H H 1 . . 1 1 38 38 LYS HA H 1 . 9.7 . . . . . . . . . . . . . . . . 4838 1 30 3JHNHA . 1 1 39 39 VAL H H 1 . . 1 1 39 39 VAL HA H 1 . 8.2 . . . . . . . . . . . . . . . . 4838 1 31 3JHNHA . 1 1 40 40 VAL H H 1 . . 1 1 40 40 VAL HA H 1 . 11 . . . . . . . . . . . . . . . . 4838 1 32 3JHNHA . 1 1 41 41 GLU H H 1 . . 1 1 41 41 GLU HA H 1 . 9.2 . . . . . . . . . . . . . . . . 4838 1 33 3JHNHA . 1 1 43 43 GLY H H 1 . . 1 1 43 43 GLY HA H 1 . 8.1 . . . . . . . . . . . . . . . . 4838 1 34 3JHNHA . 1 1 44 44 CYS H H 1 . . 1 1 44 44 CYS HA H 1 . 9.4 . . . . . . . . . . . . . . . . 4838 1 35 3JHNHA . 1 1 45 45 ALA H H 1 . . 1 1 45 45 ALA HA H 1 . 7.9 . . . . . . . . . . . . . . . . 4838 1 36 3JHNHA . 1 1 46 46 ALA H H 1 . . 1 1 46 46 ALA HA H 1 . 7.8 . . . . . . . . . . . . . . . . 4838 1 37 3JHNHA . 1 1 47 47 THR H H 1 . . 1 1 47 47 THR HA H 1 . 8.7 . . . . . . . . . . . . . . . . 4838 1 38 3JHNHA . 1 1 48 48 CYS H H 1 . . 1 1 48 48 CYS HA H 1 . 4.6 . . . . . . . . . . . . . . . . 4838 1 39 3JHNHA . 1 1 50 50 SER H H 1 . . 1 1 50 50 SER HA H 1 . 5.9 . . . . . . . . . . . . . . . . 4838 1 40 3JHNHA . 1 1 52 52 LYS H H 1 . . 1 1 52 52 LYS HA H 1 . 4.8 . . . . . . . . . . . . . . . . 4838 1 41 3JHNHA . 1 1 54 54 TYR H H 1 . . 1 1 54 54 TYR HA H 1 . 9.8 . . . . . . . . . . . . . . . . 4838 1 42 3JHNHA . 1 1 55 55 GLU H H 1 . . 1 1 55 55 GLU HA H 1 . 9.4 . . . . . . . . . . . . . . . . 4838 1 43 3JHNHA . 1 1 56 56 GLU H H 1 . . 1 1 56 56 GLU HA H 1 . 9.6 . . . . . . . . . . . . . . . . 4838 1 44 3JHNHA . 1 1 57 57 VAL H H 1 . . 1 1 57 57 VAL HA H 1 . 9.1 . . . . . . . . . . . . . . . . 4838 1 45 3JHNHA . 1 1 58 58 THR H H 1 . . 1 1 58 58 THR HA H 1 . 9.4 . . . . . . . . . . . . . . . . 4838 1 46 3JHNHA . 1 1 59 59 CYS H H 1 . . 1 1 59 59 CYS HA H 1 . 9.4 . . . . . . . . . . . . . . . . 4838 1 47 3JHNHA . 1 1 60 60 CYS H H 1 . . 1 1 60 60 CYS HA H 1 . 7.7 . . . . . . . . . . . . . . . . 4838 1 48 3JHNHA . 1 1 61 61 SER H H 1 . . 1 1 61 61 SER HA H 1 . 9.4 . . . . . . . . . . . . . . . . 4838 1 49 3JHNHA . 1 1 62 62 THR H H 1 . . 1 1 62 62 THR HA H 1 . 9.6 . . . . . . . . . . . . . . . . 4838 1 50 3JHNHA . 1 1 64 64 LYS H H 1 . . 1 1 64 64 LYS HA H 1 . 6 . . . . . . . . . . . . . . . . 4838 1 51 3JHNHA . 1 1 65 65 CYS H H 1 . . 1 1 65 65 CYS HA H 1 . 4.6 . . . . . . . . . . . . . . . . 4838 1 52 3JHNHA . 1 1 66 66 ASN H H 1 . . 1 1 66 66 ASN HA H 1 . 9.6 . . . . . . . . . . . . . . . . 4838 1 53 3JHNHA . 1 1 68 68 HIS H H 1 . . 1 1 68 68 HIS HA H 1 . 6.7 . . . . . . . . . . . . . . . . 4838 1 54 3JHNHA . 1 1 70 70 LYS H H 1 . . 1 1 70 70 LYS HA H 1 . 8.7 . . . . . . . . . . . . . . . . 4838 1 55 3JHNHA . 1 1 71 71 ARG H H 1 . . 1 1 71 71 ARG HA H 1 . 7.3 . . . . . . . . . . . . . . . . 4838 1 56 3JHNHA . 1 1 72 72 GLN H H 1 . . 1 1 72 72 GLN HA H 1 . 6.4 . . . . . . . . . . . . . . . . 4838 1 57 3JHNHA . 1 1 74 74 GLY H H 1 . . 1 1 74 74 GLY HA H 1 . 6.1 . . . . . . . . . . . . . . . . 4838 1 stop_ save_ save_CC_ap25 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode CC_ap25 _Coupling_constant_list.Entry_ID 4838 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $ex-cond1 _Coupling_constant_list.Spectrometer_frequency_1H 800 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 1 HOHAHA 1 $sample_1 . 4838 2 2 NOESY 1 $sample_1 . 4838 2 3 DQF-COSY 1 $sample_1 . 4838 2 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_asym_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_asym_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 2 2 2 2 GLU H H 1 . . 2 2 2 2 GLU HA H 1 . 7.1 . . . . . . . . . . . . . . . . 4838 2 2 3JHNHA . 2 2 3 3 ARG H H 1 . . 2 2 3 3 ARG HA H 1 . 6.5 . . . . . . . . . . . . . . . . 4838 2 3 3JHNHA . 2 2 4 4 GLY H H 1 . . 2 2 4 4 GLY HA H 1 . 11.6 . . . . . . . . . . . . . . . . 4838 2 4 3JHNHA . 2 2 5 5 TRP H H 1 . . 2 2 5 5 TRP HA H 1 . 7.1 . . . . . . . . . . . . . . . . 4838 2 5 3JHNHA . 2 2 6 6 LYS H H 1 . . 2 2 6 6 LYS HA H 1 . 8 . . . . . . . . . . . . . . . . 4838 2 6 3JHNHA . 2 2 7 7 HIS H H 1 . . 2 2 7 7 HIS HA H 1 . 8 . . . . . . . . . . . . . . . . 4838 2 7 3JHNHA . 2 2 8 8 TRP H H 1 . . 2 2 8 8 TRP HA H 1 . 10 . . . . . . . . . . . . . . . . 4838 2 8 3JHNHA . 2 2 9 9 VAL H H 1 . . 2 2 9 9 VAL HA H 1 . 9.6 . . . . . . . . . . . . . . . . 4838 2 9 3JHNHA . 2 2 10 10 TYR H H 1 . . 2 2 10 10 TYR HA H 1 . 10 . . . . . . . . . . . . . . . . 4838 2 10 3JHNHA . 2 2 11 11 TYR H H 1 . . 2 2 11 11 TYR HA H 1 . 10.7 . . . . . . . . . . . . . . . . 4838 2 11 3JHNHA . 2 2 12 12 THR H H 1 . . 2 2 12 12 THR HA H 1 . 9 . . . . . . . . . . . . . . . . 4838 2 12 3JHNHA . 2 2 13 13 CYS H H 1 . . 2 2 13 13 CYS HA H 1 . 7 . . . . . . . . . . . . . . . . 4838 2 13 3JHNHA . 2 2 14 14 CYS H H 1 . . 2 2 14 14 CYS HA H 1 . 11 . . . . . . . . . . . . . . . . 4838 2 14 3JHNHA . 2 2 16 16 ASP H H 1 . . 2 2 16 16 ASP HA H 1 . 8.5 . . . . . . . . . . . . . . . . 4838 2 15 3JHNHA . 2 2 17 17 THR H H 1 . . 2 2 17 17 THR HA H 1 . 10 . . . . . . . . . . . . . . . . 4838 2 16 3JHNHA . 2 2 19 19 TYR H H 1 . . 2 2 19 19 TYR HA H 1 . 11 . . . . . . . . . . . . . . . . 4838 2 17 3JHNHA . 2 2 20 20 LEU H H 1 . . 2 2 20 20 LEU HA H 1 . 12 . . . . . . . . . . . . . . . . 4838 2 18 3JHNHA . 2 2 21 21 ASP H H 1 . . 2 2 21 21 ASP HA H 1 . 8 . . . . . . . . . . . . . . . . 4838 2 19 3JHNHA . 2 2 22 22 ILE H H 1 . . 2 2 22 22 ILE HA H 1 . 8.8 . . . . . . . . . . . . . . . . 4838 2 20 3JHNHA . 2 2 23 23 THR H H 1 . . 2 2 23 23 THR HA H 1 . 7.3 . . . . . . . . . . . . . . . . 4838 2 21 3JHNHA . 2 2 24 24 GLU H H 1 . . 2 2 24 24 GLU HA H 1 . 8 . . . . . . . . . . . . . . . . 4838 2 22 3JHNHA . 2 2 25 25 GLU H H 1 . . 2 2 25 25 GLU HA H 1 . 7.4 . . . . . . . . . . . . . . . . 4838 2 stop_ save_