data_8 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 8 _Entry.Title ; Structural Studies of alpha-Bungarotoxin. 1. Sequence-Specific 1H NMR Resonance Assignments ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 Vladimir Basus . J. . 8 2 Martin Billeter . . . 8 3 Robert Love . A. . 8 4 Robert Stroud . M. . 8 5 Irwin Kuntz . D. . 8 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 8 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 466 8 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 4 . . 2010-06-09 . revision BMRB 'Complete natural source information' 8 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 8 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 8 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 8 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 8 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Basus, Vladimir J., Billeter, Martin, Love, Robert A., Stroud, Robert M., Kuntz, Irwin D., "Structural Studies of alpha-Bungarotoxin. 1. Sequence-Specific 1H NMR Resonance Assignments," Biochemistry 27, 2763-2771 (1988). ; _Citation.Title ; Structural Studies of alpha-Bungarotoxin. 1. Sequence-Specific 1H NMR Resonance Assignments ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2763 _Citation.Page_last 2771 _Citation.Year 1988 _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 Vladimir Basus . J. . 8 1 2 Martin Billeter . . . 8 1 3 Robert Love . A. . 8 1 4 Robert Stroud . M. . 8 1 5 Irwin Kuntz . D. . 8 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_alpha-bungarotoxin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_alpha-bungarotoxin _Assembly.Entry_ID 8 _Assembly.ID 1 _Assembly.Name alpha-bungarotoxin _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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 $alpha-bungarotoxin . . . . . . . . . 8 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID alpha-bungarotoxin system 8 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_alpha-bungarotoxin _Entity.Sf_category entity _Entity.Sf_framecode alpha-bungarotoxin _Entity.Entry_ID 8 _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 ; IVCHTTATSPISAVTCPPGE NLCYRKMWCDAFCSSRGKVV ELGCAATCPSKKPYEEVTCC STDKCNPHPKRQPG ; _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 . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15130 . alpha-BTX . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 2 no BMRB 5006 . alpha-btx . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 3 no BMRB 5024 . Bgtx . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 4 no PDB 1ABT . "Nmr Solution Structure Of An Alpha-Bungarotoxin(Slash) Nicotinic Receptor Peptide Complex" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 5 no PDB 1BXP . "Solution Nmr Structure Of The Complex Of Alpha-Bungarotoxin With A Library Derived Peptide, 20 Structures" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 6 no 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 97.30 100.00 2.83e-44 . . . . 8 1 7 no 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 97.30 100.00 2.83e-44 . . . . 8 1 8 no PDB 1HC9 . "A-Bungarotoxin Complexed With High Affinity Peptide" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 9 no PDB 1HOY . "Nmr Structure Of The Complex Between A-Bungarotoxin And A Mimotope Of The Nicotinic Acetilcholine Receptor" . . . . . 98.65 74 97.26 100.00 1.92e-43 . . . . 8 1 10 no PDB 1IDG . "The Nmr Solution Structure Of The Complex Formed Between Alpha-Bungarotoxin And An 18mer Cognate Peptide" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 11 no PDB 1IDH . "The Nmr Solution Structure Of The Complex Formed Between Alpha-Bungarotoxin And An 18mer Cognate Peptide" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 12 no PDB 1IDI . "The Nmr Solution Structure Of Alpha-Bungarotoxin" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 13 no PDB 1IDL . "The Nmr Solution Structure Of Alpha-Bungarotoxin" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 14 no PDB 1IK8 . "Nmr Structure Of Alpha-Bungarotoxin" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 15 no PDB 1IKC . "Nmr Structure Of Alpha-Bungarotoxin" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 16 no PDB 1JBD . "Nmr Structure Of The Complex Between Alpha-Bungarotoxin And A Mimotope Of The Nicotinic Acetilcholine Receptor" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 17 no PDB 1KC4 . "Nmr Structural Analysis Of The Complex Formed Between Alpha- Bungarotoxin And The Principal Alpha-Neurotoxin Binding Sequence O" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 18 no PDB 1KFH . "Solution Structure Of Alpha-Bungarotoxin By Nmr Spectroscopy" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 19 no PDB 1KL8 . "Nmr Structural Analysis Of The Complex Formed Between Alpha- Bungarotoxin And The Principal Alpha-Neurotoxin Binding Sequence O" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 20 no PDB 1L4W . "Nmr Structure Of An Achr-Peptide (Torpedo Californica, Alpha-Subunit Residues 182-202) In Complex With Alpha- Bungarotoxin" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 21 no PDB 1LJZ . "Nmr Structure Of An Achr-peptide (torpedo Californica, Alpha-subunit Residues 182-202) In Complex With Alpha-bungarotoxin" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 22 no PDB 1RGJ . "Nmr Structure Of The Complex Between Alpha-Bungarotoxin And Mimotope Of The Nicotinic Acetilcholine Receptor With Enhanced Acti" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 23 no PDB 2BTX . "Solution Nmr Structure Of The Complex Of Alpha-Bungarotoxin With A Library Derived Peptide, Nmr, Minimized Average Structure" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 24 no EMBL CAA63045 . "alpha-bungarotoxin [Bungarus multicinctus]" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 25 no EMBL CAB51842 . "alpha-bungarotoxin (A31) [Bungarus multicinctus]" . . . . . 100.00 95 97.30 100.00 7.44e-45 . . . . 8 1 26 no EMBL CAB51844 . "alpha-bungarotoxin (A31) [Bungarus multicinctus]" . . . . . 100.00 95 97.30 100.00 7.44e-45 . . . . 8 1 27 no EMBL CAD92407 . "alpha-bungarotoxin (A31) precursor [Bungarus candidus]" . . . . . 100.00 76 97.30 100.00 3.26e-44 . . . . 8 1 28 no EMBL CAM11304 . "alpha-bungarotoxin (A31) [Bungarus candidus]" . . . . . 100.00 76 97.30 100.00 3.26e-44 . . . . 8 1 29 no GB AAC83981 . "alpha-bungarotoxin precursor [Bungarus multicinctus]" . . . . . 100.00 95 97.30 100.00 7.44e-45 . . . . 8 1 30 no GB AAC83991 . "alpha-bungarotoxin isoform R8 [Bungarus multicinctus]" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 31 no GB AAC83992 . "alpha-bungarotoxin isoform R9 [Bungarus multicinctus]" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 32 no GB AAC83993 . "alpha-bungarotoxin isoform R10 [Bungarus multicinctus]" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 33 no GB AAC83994 . "alpha-bungarotoxin isoform R11 [Bungarus multicinctus]" . . . . . 100.00 74 97.30 100.00 2.83e-44 . . . . 8 1 34 no SP P60615 . "RecName: Full=Alpha-bungarotoxin isoform A31; Short=Alpha-BTX A31; Short=Alpha-Bgt(A31); Short=BGTX A31; AltName: Full=Long neu" . . . . . 100.00 95 97.30 100.00 7.44e-45 . . . . 8 1 35 no SP Q7T3J2 . "RecName: Full=Alpha-elapitoxin-Bm2a; Short=Alpha-EPTX-Bm2a; AltName: Full=Alpha-bungarotoxin, isoform A31; Flags: Precursor [Bu" . . . . . 100.00 95 97.30 100.00 7.44e-45 . . . . 8 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID alpha-bungarotoxin common 8 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 . 8 1 2 . VAL . 8 1 3 . CYS . 8 1 4 . HIS . 8 1 5 . THR . 8 1 6 . THR . 8 1 7 . ALA . 8 1 8 . THR . 8 1 9 . SER . 8 1 10 . PRO . 8 1 11 . ILE . 8 1 12 . SER . 8 1 13 . ALA . 8 1 14 . VAL . 8 1 15 . THR . 8 1 16 . CYS . 8 1 17 . PRO . 8 1 18 . PRO . 8 1 19 . GLY . 8 1 20 . GLU . 8 1 21 . ASN . 8 1 22 . LEU . 8 1 23 . CYS . 8 1 24 . TYR . 8 1 25 . ARG . 8 1 26 . LYS . 8 1 27 . MET . 8 1 28 . TRP . 8 1 29 . CYS . 8 1 30 . ASP . 8 1 31 . ALA . 8 1 32 . PHE . 8 1 33 . CYS . 8 1 34 . SER . 8 1 35 . SER . 8 1 36 . ARG . 8 1 37 . GLY . 8 1 38 . LYS . 8 1 39 . VAL . 8 1 40 . VAL . 8 1 41 . GLU . 8 1 42 . LEU . 8 1 43 . GLY . 8 1 44 . CYS . 8 1 45 . ALA . 8 1 46 . ALA . 8 1 47 . THR . 8 1 48 . CYS . 8 1 49 . PRO . 8 1 50 . SER . 8 1 51 . LYS . 8 1 52 . LYS . 8 1 53 . PRO . 8 1 54 . TYR . 8 1 55 . GLU . 8 1 56 . GLU . 8 1 57 . VAL . 8 1 58 . THR . 8 1 59 . CYS . 8 1 60 . CYS . 8 1 61 . SER . 8 1 62 . THR . 8 1 63 . ASP . 8 1 64 . LYS . 8 1 65 . CYS . 8 1 66 . ASN . 8 1 67 . PRO . 8 1 68 . HIS . 8 1 69 . PRO . 8 1 70 . LYS . 8 1 71 . ARG . 8 1 72 . GLN . 8 1 73 . PRO . 8 1 74 . GLY . 8 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 8 1 . VAL 2 2 8 1 . CYS 3 3 8 1 . HIS 4 4 8 1 . THR 5 5 8 1 . THR 6 6 8 1 . ALA 7 7 8 1 . THR 8 8 8 1 . SER 9 9 8 1 . PRO 10 10 8 1 . ILE 11 11 8 1 . SER 12 12 8 1 . ALA 13 13 8 1 . VAL 14 14 8 1 . THR 15 15 8 1 . CYS 16 16 8 1 . PRO 17 17 8 1 . PRO 18 18 8 1 . GLY 19 19 8 1 . GLU 20 20 8 1 . ASN 21 21 8 1 . LEU 22 22 8 1 . CYS 23 23 8 1 . TYR 24 24 8 1 . ARG 25 25 8 1 . LYS 26 26 8 1 . MET 27 27 8 1 . TRP 28 28 8 1 . CYS 29 29 8 1 . ASP 30 30 8 1 . ALA 31 31 8 1 . PHE 32 32 8 1 . CYS 33 33 8 1 . SER 34 34 8 1 . SER 35 35 8 1 . ARG 36 36 8 1 . GLY 37 37 8 1 . LYS 38 38 8 1 . VAL 39 39 8 1 . VAL 40 40 8 1 . GLU 41 41 8 1 . LEU 42 42 8 1 . GLY 43 43 8 1 . CYS 44 44 8 1 . ALA 45 45 8 1 . ALA 46 46 8 1 . THR 47 47 8 1 . CYS 48 48 8 1 . PRO 49 49 8 1 . SER 50 50 8 1 . LYS 51 51 8 1 . LYS 52 52 8 1 . PRO 53 53 8 1 . TYR 54 54 8 1 . GLU 55 55 8 1 . GLU 56 56 8 1 . VAL 57 57 8 1 . THR 58 58 8 1 . CYS 59 59 8 1 . CYS 60 60 8 1 . SER 61 61 8 1 . THR 62 62 8 1 . ASP 63 63 8 1 . LYS 64 64 8 1 . CYS 65 65 8 1 . ASN 66 66 8 1 . PRO 67 67 8 1 . HIS 68 68 8 1 . PRO 69 69 8 1 . LYS 70 70 8 1 . ARG 71 71 8 1 . GLN 72 72 8 1 . PRO 73 73 8 1 . GLY 74 74 8 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 8 _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 $alpha-bungarotoxin . 8616 organism . 'Bungarus multicinctus' 'banded krait' . . Eukaryota Metazoa Bungarus multicinctus generic . . . . . . . . . . . venom . . . . . . . . 8 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 8 _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 $alpha-bungarotoxin . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 8 _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 8 _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 . na 8 1 temperature 308 . K 8 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 8 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 8 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 8 _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 . TSP . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 8 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 8 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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_one . 8 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 4.17 0.01 . 1 . . . . . . . . 8 1 2 . 1 1 1 1 ILE HB H 1 1.87 0.01 . 1 . . . . . . . . 8 1 3 . 1 1 1 1 ILE HG12 H 1 1.55 0.01 . 2 . . . . . . . . 8 1 4 . 1 1 1 1 ILE HG13 H 1 1.15 0.01 . 2 . . . . . . . . 8 1 5 . 1 1 1 1 ILE HG21 H 1 .87 0.01 . 1 . . . . . . . . 8 1 6 . 1 1 1 1 ILE HG22 H 1 .87 0.01 . 1 . . . . . . . . 8 1 7 . 1 1 1 1 ILE HG23 H 1 .87 0.01 . 1 . . . . . . . . 8 1 8 . 1 1 1 1 ILE HD11 H 1 .71 0.01 . 1 . . . . . . . . 8 1 9 . 1 1 1 1 ILE HD12 H 1 .71 0.01 . 1 . . . . . . . . 8 1 10 . 1 1 1 1 ILE HD13 H 1 .71 0.01 . 1 . . . . . . . . 8 1 11 . 1 1 2 2 VAL H H 1 8.1 0.01 . 1 . . . . . . . . 8 1 12 . 1 1 2 2 VAL HA H 1 4.95 0.01 . 1 . . . . . . . . 8 1 13 . 1 1 2 2 VAL HB H 1 1.57 0.01 . 1 . . . . . . . . 8 1 14 . 1 1 2 2 VAL HG11 H 1 .85 0.01 . 2 . . . . . . . . 8 1 15 . 1 1 2 2 VAL HG12 H 1 .85 0.01 . 2 . . . . . . . . 8 1 16 . 1 1 2 2 VAL HG13 H 1 .85 0.01 . 2 . . . . . . . . 8 1 17 . 1 1 2 2 VAL HG21 H 1 .57 0.01 . 2 . . . . . . . . 8 1 18 . 1 1 2 2 VAL HG22 H 1 .57 0.01 . 2 . . . . . . . . 8 1 19 . 1 1 2 2 VAL HG23 H 1 .57 0.01 . 2 . . . . . . . . 8 1 20 . 1 1 3 3 CYS H H 1 8.76 0.01 . 1 . . . . . . . . 8 1 21 . 1 1 3 3 CYS HA H 1 5.07 0.01 . 1 . . . . . . . . 8 1 22 . 1 1 3 3 CYS HB2 H 1 2.97 0.01 . 2 . . . . . . . . 8 1 23 . 1 1 3 3 CYS HB3 H 1 2.4 0.01 . 2 . . . . . . . . 8 1 24 . 1 1 4 4 HIS H H 1 9.18 0.01 . 1 . . . . . . . . 8 1 25 . 1 1 4 4 HIS HA H 1 5.12 0.01 . 1 . . . . . . . . 8 1 26 . 1 1 4 4 HIS HB2 H 1 2.67 0.01 . 2 . . . . . . . . 8 1 27 . 1 1 4 4 HIS HB3 H 1 2.95 0.01 . 2 . . . . . . . . 8 1 28 . 1 1 4 4 HIS HD2 H 1 6.51 0.01 . 1 . . . . . . . . 8 1 29 . 1 1 4 4 HIS HE1 H 1 8.14 0.01 . 1 . . . . . . . . 8 1 30 . 1 1 5 5 THR H H 1 9.03 0.01 . 1 . . . . . . . . 8 1 31 . 1 1 5 5 THR HA H 1 5.16 0.01 . 1 . . . . . . . . 8 1 32 . 1 1 5 5 THR HB H 1 3.99 0.01 . 1 . . . . . . . . 8 1 33 . 1 1 5 5 THR HG21 H 1 1.28 0.01 . 1 . . . . . . . . 8 1 34 . 1 1 5 5 THR HG22 H 1 1.28 0.01 . 1 . . . . . . . . 8 1 35 . 1 1 5 5 THR HG23 H 1 1.28 0.01 . 1 . . . . . . . . 8 1 36 . 1 1 6 6 THR H H 1 8.22 0.01 . 1 . . . . . . . . 8 1 37 . 1 1 6 6 THR HA H 1 4.73 0.01 . 1 . . . . . . . . 8 1 38 . 1 1 6 6 THR HB H 1 5.02 0.01 . 1 . . . . . . . . 8 1 39 . 1 1 6 6 THR HG21 H 1 1.4 0.01 . 1 . . . . . . . . 8 1 40 . 1 1 6 6 THR HG22 H 1 1.4 0.01 . 1 . . . . . . . . 8 1 41 . 1 1 6 6 THR HG23 H 1 1.4 0.01 . 1 . . . . . . . . 8 1 42 . 1 1 7 7 ALA H H 1 9.21 0.01 . 1 . . . . . . . . 8 1 43 . 1 1 7 7 ALA HA H 1 4.32 0.01 . 1 . . . . . . . . 8 1 44 . 1 1 7 7 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 8 1 45 . 1 1 7 7 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 8 1 46 . 1 1 7 7 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 8 1 47 . 1 1 8 8 THR H H 1 7.06 0.01 . 1 . . . . . . . . 8 1 48 . 1 1 8 8 THR HA H 1 4.5 0.01 . 1 . . . . . . . . 8 1 49 . 1 1 8 8 THR HB H 1 4.28 0.01 . 1 . . . . . . . . 8 1 50 . 1 1 8 8 THR HG21 H 1 1.04 0.01 . 1 . . . . . . . . 8 1 51 . 1 1 8 8 THR HG22 H 1 1.04 0.01 . 1 . . . . . . . . 8 1 52 . 1 1 8 8 THR HG23 H 1 1.04 0.01 . 1 . . . . . . . . 8 1 53 . 1 1 9 9 SER H H 1 8.25 0.01 . 1 . . . . . . . . 8 1 54 . 1 1 9 9 SER HA H 1 4.58 0.01 . 1 . . . . . . . . 8 1 55 . 1 1 9 9 SER HB2 H 1 3.67 0.01 . 2 . . . . . . . . 8 1 56 . 1 1 9 9 SER HB3 H 1 3.78 0.01 . 2 . . . . . . . . 8 1 57 . 1 1 10 10 PRO HA H 1 4.87 0.01 . 1 . . . . . . . . 8 1 58 . 1 1 10 10 PRO HB2 H 1 2.14 0.01 . 2 . . . . . . . . 8 1 59 . 1 1 10 10 PRO HB3 H 1 2.5 0.01 . 2 . . . . . . . . 8 1 60 . 1 1 10 10 PRO HG2 H 1 1.81 0.01 . 1 . . . . . . . . 8 1 61 . 1 1 10 10 PRO HG3 H 1 1.81 0.01 . 1 . . . . . . . . 8 1 62 . 1 1 10 10 PRO HD2 H 1 3.58 0.01 . 1 . . . . . . . . 8 1 63 . 1 1 10 10 PRO HD3 H 1 3.58 0.01 . 1 . . . . . . . . 8 1 64 . 1 1 11 11 ILE H H 1 8.42 0.01 . 1 . . . . . . . . 8 1 65 . 1 1 11 11 ILE HA H 1 4.12 0.01 . 1 . . . . . . . . 8 1 66 . 1 1 11 11 ILE HB H 1 1.69 0.01 . 1 . . . . . . . . 8 1 67 . 1 1 11 11 ILE HG12 H 1 1.18 0.01 . 2 . . . . . . . . 8 1 68 . 1 1 11 11 ILE HG13 H 1 1.87 0.01 . 2 . . . . . . . . 8 1 69 . 1 1 11 11 ILE HG21 H 1 1 0.01 . 1 . . . . . . . . 8 1 70 . 1 1 11 11 ILE HG22 H 1 1 0.01 . 1 . . . . . . . . 8 1 71 . 1 1 11 11 ILE HG23 H 1 1 0.01 . 1 . . . . . . . . 8 1 72 . 1 1 11 11 ILE HD11 H 1 .88 0.01 . 1 . . . . . . . . 8 1 73 . 1 1 11 11 ILE HD12 H 1 .88 0.01 . 1 . . . . . . . . 8 1 74 . 1 1 11 11 ILE HD13 H 1 .88 0.01 . 1 . . . . . . . . 8 1 75 . 1 1 12 12 SER H H 1 7.74 0.01 . 1 . . . . . . . . 8 1 76 . 1 1 12 12 SER HA H 1 4.92 0.01 . 1 . . . . . . . . 8 1 77 . 1 1 12 12 SER HB2 H 1 3.78 0.01 . 2 . . . . . . . . 8 1 78 . 1 1 12 12 SER HB3 H 1 3.9 0.01 . 2 . . . . . . . . 8 1 79 . 1 1 13 13 ALA H H 1 8.29 0.01 . 1 . . . . . . . . 8 1 80 . 1 1 13 13 ALA HA H 1 5.12 0.01 . 1 . . . . . . . . 8 1 81 . 1 1 13 13 ALA HB1 H 1 .92 0.01 . 1 . . . . . . . . 8 1 82 . 1 1 13 13 ALA HB2 H 1 .92 0.01 . 1 . . . . . . . . 8 1 83 . 1 1 13 13 ALA HB3 H 1 .92 0.01 . 1 . . . . . . . . 8 1 84 . 1 1 14 14 VAL H H 1 8.79 0.01 . 1 . . . . . . . . 8 1 85 . 1 1 14 14 VAL HA H 1 4.66 0.01 . 1 . . . . . . . . 8 1 86 . 1 1 14 14 VAL HB H 1 2.07 0.01 . 1 . . . . . . . . 8 1 87 . 1 1 14 14 VAL HG11 H 1 .83 0.01 . 2 . . . . . . . . 8 1 88 . 1 1 14 14 VAL HG12 H 1 .83 0.01 . 2 . . . . . . . . 8 1 89 . 1 1 14 14 VAL HG13 H 1 .83 0.01 . 2 . . . . . . . . 8 1 90 . 1 1 14 14 VAL HG21 H 1 .86 0.01 . 2 . . . . . . . . 8 1 91 . 1 1 14 14 VAL HG22 H 1 .86 0.01 . 2 . . . . . . . . 8 1 92 . 1 1 14 14 VAL HG23 H 1 .86 0.01 . 2 . . . . . . . . 8 1 93 . 1 1 15 15 THR H H 1 8.49 0.01 . 1 . . . . . . . . 8 1 94 . 1 1 15 15 THR HA H 1 4.42 0.01 . 1 . . . . . . . . 8 1 95 . 1 1 15 15 THR HB H 1 3.99 0.01 . 1 . . . . . . . . 8 1 96 . 1 1 15 15 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 8 1 97 . 1 1 15 15 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 8 1 98 . 1 1 15 15 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 8 1 99 . 1 1 16 16 CYS H H 1 8.87 0.01 . 1 . . . . . . . . 8 1 100 . 1 1 16 16 CYS HA H 1 4.85 0.01 . 1 . . . . . . . . 8 1 101 . 1 1 16 16 CYS HB2 H 1 3.01 0.01 . 2 . . . . . . . . 8 1 102 . 1 1 16 16 CYS HB3 H 1 3.25 0.01 . 2 . . . . . . . . 8 1 103 . 1 1 17 17 PRO HA H 1 4.72 0.01 . 1 . . . . . . . . 8 1 104 . 1 1 17 17 PRO HB2 H 1 1.75 0.01 . 2 . . . . . . . . 8 1 105 . 1 1 17 17 PRO HB3 H 1 2.43 0.01 . 2 . . . . . . . . 8 1 106 . 1 1 17 17 PRO HG2 H 1 1.88 0.01 . 1 . . . . . . . . 8 1 107 . 1 1 17 17 PRO HG3 H 1 1.88 0.01 . 1 . . . . . . . . 8 1 108 . 1 1 17 17 PRO HD2 H 1 3.49 0.01 . 2 . . . . . . . . 8 1 109 . 1 1 17 17 PRO HD3 H 1 3.98 0.01 . 2 . . . . . . . . 8 1 110 . 1 1 18 18 PRO HA H 1 4.32 0.01 . 1 . . . . . . . . 8 1 111 . 1 1 18 18 PRO HB2 H 1 1.87 0.01 . 2 . . . . . . . . 8 1 112 . 1 1 18 18 PRO HB3 H 1 2.31 0.01 . 2 . . . . . . . . 8 1 113 . 1 1 18 18 PRO HG2 H 1 1.99 0.01 . 2 . . . . . . . . 8 1 114 . 1 1 18 18 PRO HG3 H 1 2.12 0.01 . 2 . . . . . . . . 8 1 115 . 1 1 18 18 PRO HD2 H 1 3.58 0.01 . 2 . . . . . . . . 8 1 116 . 1 1 18 18 PRO HD3 H 1 3.87 0.01 . 2 . . . . . . . . 8 1 117 . 1 1 19 19 GLY H H 1 8.77 0.01 . 1 . . . . . . . . 8 1 118 . 1 1 19 19 GLY HA2 H 1 4.26 0.01 . 2 . . . . . . . . 8 1 119 . 1 1 19 19 GLY HA3 H 1 3.66 0.01 . 2 . . . . . . . . 8 1 120 . 1 1 20 20 GLU H H 1 7.8 0.01 . 1 . . . . . . . . 8 1 121 . 1 1 20 20 GLU HA H 1 4.31 0.01 . 1 . . . . . . . . 8 1 122 . 1 1 20 20 GLU HB2 H 1 2.19 0.01 . 2 . . . . . . . . 8 1 123 . 1 1 20 20 GLU HB3 H 1 2.32 0.01 . 2 . . . . . . . . 8 1 124 . 1 1 20 20 GLU HG2 H 1 2.03 0.01 . 1 . . . . . . . . 8 1 125 . 1 1 20 20 GLU HG3 H 1 2.03 0.01 . 1 . . . . . . . . 8 1 126 . 1 1 21 21 ASN H H 1 8 0.01 . 1 . . . . . . . . 8 1 127 . 1 1 21 21 ASN HA H 1 4.95 0.01 . 1 . . . . . . . . 8 1 128 . 1 1 21 21 ASN HB2 H 1 2.65 0.01 . 2 . . . . . . . . 8 1 129 . 1 1 21 21 ASN HB3 H 1 3 0.01 . 2 . . . . . . . . 8 1 130 . 1 1 21 21 ASN HD21 H 1 6.96 0.01 . 2 . . . . . . . . 8 1 131 . 1 1 21 21 ASN HD22 H 1 7.44 0.01 . 2 . . . . . . . . 8 1 132 . 1 1 22 22 LEU H H 1 8.25 0.01 . 1 . . . . . . . . 8 1 133 . 1 1 22 22 LEU HA H 1 4.99 0.01 . 1 . . . . . . . . 8 1 134 . 1 1 22 22 LEU HB2 H 1 1.45 0.01 . 2 . . . . . . . . 8 1 135 . 1 1 22 22 LEU HB3 H 1 1.69 0.01 . 2 . . . . . . . . 8 1 136 . 1 1 22 22 LEU HG H 1 1.57 0.01 . 1 . . . . . . . . 8 1 137 . 1 1 22 22 LEU HD11 H 1 .7 0.01 . 2 . . . . . . . . 8 1 138 . 1 1 22 22 LEU HD12 H 1 .7 0.01 . 2 . . . . . . . . 8 1 139 . 1 1 22 22 LEU HD13 H 1 .7 0.01 . 2 . . . . . . . . 8 1 140 . 1 1 22 22 LEU HD21 H 1 .77 0.01 . 2 . . . . . . . . 8 1 141 . 1 1 22 22 LEU HD22 H 1 .77 0.01 . 2 . . . . . . . . 8 1 142 . 1 1 22 22 LEU HD23 H 1 .77 0.01 . 2 . . . . . . . . 8 1 143 . 1 1 23 23 CYS H H 1 8.77 0.01 . 1 . . . . . . . . 8 1 144 . 1 1 23 23 CYS HA H 1 5.93 0.01 . 1 . . . . . . . . 8 1 145 . 1 1 23 23 CYS HB2 H 1 2.86 0.01 . 2 . . . . . . . . 8 1 146 . 1 1 23 23 CYS HB3 H 1 3.22 0.01 . 2 . . . . . . . . 8 1 147 . 1 1 24 24 TYR H H 1 8.99 0.01 . 1 . . . . . . . . 8 1 148 . 1 1 24 24 TYR HA H 1 5.97 0.01 . 1 . . . . . . . . 8 1 149 . 1 1 24 24 TYR HB2 H 1 2.65 0.01 . 2 . . . . . . . . 8 1 150 . 1 1 24 24 TYR HB3 H 1 3 0.01 . 2 . . . . . . . . 8 1 151 . 1 1 24 24 TYR HD1 H 1 6.65 0.01 . 1 . . . . . . . . 8 1 152 . 1 1 24 24 TYR HD2 H 1 6.65 0.01 . 1 . . . . . . . . 8 1 153 . 1 1 24 24 TYR HE1 H 1 6.74 0.01 . 1 . . . . . . . . 8 1 154 . 1 1 24 24 TYR HE2 H 1 6.74 0.01 . 1 . . . . . . . . 8 1 155 . 1 1 25 25 ARG H H 1 9.05 0.01 . 1 . . . . . . . . 8 1 156 . 1 1 25 25 ARG HA H 1 5.24 0.01 . 1 . . . . . . . . 8 1 157 . 1 1 25 25 ARG HB2 H 1 1.93 0.01 . 1 . . . . . . . . 8 1 158 . 1 1 25 25 ARG HB3 H 1 1.93 0.01 . 1 . . . . . . . . 8 1 159 . 1 1 25 25 ARG HG2 H 1 1.36 0.01 . 2 . . . . . . . . 8 1 160 . 1 1 25 25 ARG HG3 H 1 1.5 0.01 . 2 . . . . . . . . 8 1 161 . 1 1 25 25 ARG HD2 H 1 3.01 0.01 . 1 . . . . . . . . 8 1 162 . 1 1 25 25 ARG HD3 H 1 3.01 0.01 . 1 . . . . . . . . 8 1 163 . 1 1 25 25 ARG HE H 1 7.16 0.01 . 1 . . . . . . . . 8 1 164 . 1 1 26 26 LYS H H 1 9.76 0.01 . 1 . . . . . . . . 8 1 165 . 1 1 26 26 LYS HA H 1 5.74 0.01 . 1 . . . . . . . . 8 1 166 . 1 1 26 26 LYS HB2 H 1 1.91 0.01 . 2 . . . . . . . . 8 1 167 . 1 1 26 26 LYS HB3 H 1 2.09 0.01 . 2 . . . . . . . . 8 1 168 . 1 1 26 26 LYS HE2 H 1 2.55 0.01 . 2 . . . . . . . . 8 1 169 . 1 1 26 26 LYS HE3 H 1 2.57 0.01 . 2 . . . . . . . . 8 1 170 . 1 1 27 27 MET H H 1 9.17 0.01 . 1 . . . . . . . . 8 1 171 . 1 1 27 27 MET HA H 1 6 0.01 . 1 . . . . . . . . 8 1 172 . 1 1 27 27 MET HB2 H 1 2.02 0.01 . 2 . . . . . . . . 8 1 173 . 1 1 27 27 MET HB3 H 1 2.48 0.01 . 2 . . . . . . . . 8 1 174 . 1 1 27 27 MET HG2 H 1 1.94 0.01 . 1 . . . . . . . . 8 1 175 . 1 1 27 27 MET HG3 H 1 1.94 0.01 . 1 . . . . . . . . 8 1 176 . 1 1 27 27 MET HE1 H 1 1.97 0.01 . 1 . . . . . . . . 8 1 177 . 1 1 27 27 MET HE2 H 1 1.97 0.01 . 1 . . . . . . . . 8 1 178 . 1 1 27 27 MET HE3 H 1 1.97 0.01 . 1 . . . . . . . . 8 1 179 . 1 1 28 28 TRP H H 1 8.63 0.01 . 1 . . . . . . . . 8 1 180 . 1 1 28 28 TRP HA H 1 5.23 0.01 . 1 . . . . . . . . 8 1 181 . 1 1 28 28 TRP HB2 H 1 3.43 0.01 . 2 . . . . . . . . 8 1 182 . 1 1 28 28 TRP HB3 H 1 3.63 0.01 . 2 . . . . . . . . 8 1 183 . 1 1 28 28 TRP HD1 H 1 7.04 0.01 . 1 . . . . . . . . 8 1 184 . 1 1 28 28 TRP HE1 H 1 10.42 0.01 . 1 . . . . . . . . 8 1 185 . 1 1 28 28 TRP HE3 H 1 7.51 0.01 . 1 . . . . . . . . 8 1 186 . 1 1 28 28 TRP HZ2 H 1 7.22 0.01 . 1 . . . . . . . . 8 1 187 . 1 1 28 28 TRP HZ3 H 1 7.22 0.01 . 1 . . . . . . . . 8 1 188 . 1 1 28 28 TRP HH2 H 1 6.87 0.01 . 1 . . . . . . . . 8 1 189 . 1 1 29 29 CYS H H 1 9.26 0.01 . 1 . . . . . . . . 8 1 190 . 1 1 29 29 CYS HA H 1 5.1 0.01 . 1 . . . . . . . . 8 1 191 . 1 1 29 29 CYS HB2 H 1 3.05 0.01 . 2 . . . . . . . . 8 1 192 . 1 1 29 29 CYS HB3 H 1 3.37 0.01 . 2 . . . . . . . . 8 1 193 . 1 1 30 30 ASP H H 1 8.35 0.01 . 1 . . . . . . . . 8 1 194 . 1 1 30 30 ASP HA H 1 4.84 0.01 . 1 . . . . . . . . 8 1 195 . 1 1 30 30 ASP HB2 H 1 2.73 0.01 . 2 . . . . . . . . 8 1 196 . 1 1 30 30 ASP HB3 H 1 3.17 0.01 . 2 . . . . . . . . 8 1 197 . 1 1 31 31 ALA H H 1 8.23 0.01 . 1 . . . . . . . . 8 1 198 . 1 1 31 31 ALA HA H 1 4.03 0.01 . 1 . . . . . . . . 8 1 199 . 1 1 31 31 ALA HB1 H 1 1.08 0.01 . 1 . . . . . . . . 8 1 200 . 1 1 31 31 ALA HB2 H 1 1.08 0.01 . 1 . . . . . . . . 8 1 201 . 1 1 31 31 ALA HB3 H 1 1.08 0.01 . 1 . . . . . . . . 8 1 202 . 1 1 32 32 PHE H H 1 8.27 0.01 . 1 . . . . . . . . 8 1 203 . 1 1 32 32 PHE HA H 1 4.78 0.01 . 1 . . . . . . . . 8 1 204 . 1 1 32 32 PHE HB2 H 1 2.95 0.01 . 2 . . . . . . . . 8 1 205 . 1 1 32 32 PHE HB3 H 1 3.39 0.01 . 2 . . . . . . . . 8 1 206 . 1 1 32 32 PHE HD1 H 1 7.23 0.01 . 1 . . . . . . . . 8 1 207 . 1 1 32 32 PHE HD2 H 1 7.23 0.01 . 1 . . . . . . . . 8 1 208 . 1 1 32 32 PHE HE1 H 1 7.36 0.01 . 1 . . . . . . . . 8 1 209 . 1 1 32 32 PHE HE2 H 1 7.36 0.01 . 1 . . . . . . . . 8 1 210 . 1 1 32 32 PHE HZ H 1 7.3 0.01 . 1 . . . . . . . . 8 1 211 . 1 1 33 33 CYS H H 1 7.79 0.01 . 1 . . . . . . . . 8 1 212 . 1 1 33 33 CYS HA H 1 4.13 0.01 . 1 . . . . . . . . 8 1 213 . 1 1 33 33 CYS HB2 H 1 3.19 0.01 . 2 . . . . . . . . 8 1 214 . 1 1 33 33 CYS HB3 H 1 3.54 0.01 . 2 . . . . . . . . 8 1 215 . 1 1 34 34 SER H H 1 8.87 0.01 . 1 . . . . . . . . 8 1 216 . 1 1 34 34 SER HA H 1 4.29 0.01 . 1 . . . . . . . . 8 1 217 . 1 1 34 34 SER HB2 H 1 3.95 0.01 . 2 . . . . . . . . 8 1 218 . 1 1 34 34 SER HB3 H 1 4.02 0.01 . 2 . . . . . . . . 8 1 219 . 1 1 35 35 SER H H 1 7.76 0.01 . 1 . . . . . . . . 8 1 220 . 1 1 35 35 SER HA H 1 4.65 0.01 . 1 . . . . . . . . 8 1 221 . 1 1 35 35 SER HB2 H 1 3.9 0.01 . 2 . . . . . . . . 8 1 222 . 1 1 35 35 SER HB3 H 1 3.96 0.01 . 2 . . . . . . . . 8 1 223 . 1 1 36 36 ARG H H 1 8.33 0.01 . 1 . . . . . . . . 8 1 224 . 1 1 36 36 ARG HA H 1 4.54 0.01 . 1 . . . . . . . . 8 1 225 . 1 1 36 36 ARG HB2 H 1 1.88 0.01 . 2 . . . . . . . . 8 1 226 . 1 1 36 36 ARG HB3 H 1 1.95 0.01 . 2 . . . . . . . . 8 1 227 . 1 1 36 36 ARG HG2 H 1 1.65 0.01 . 2 . . . . . . . . 8 1 228 . 1 1 36 36 ARG HG3 H 1 1.78 0.01 . 2 . . . . . . . . 8 1 229 . 1 1 36 36 ARG HD2 H 1 3.09 0.01 . 1 . . . . . . . . 8 1 230 . 1 1 36 36 ARG HD3 H 1 3.09 0.01 . 1 . . . . . . . . 8 1 231 . 1 1 36 36 ARG HE H 1 7.05 0.01 . 1 . . . . . . . . 8 1 232 . 1 1 37 37 GLY H H 1 7.71 0.01 . 1 . . . . . . . . 8 1 233 . 1 1 37 37 GLY HA2 H 1 3.92 0.01 . 2 . . . . . . . . 8 1 234 . 1 1 37 37 GLY HA3 H 1 4.3 0.01 . 2 . . . . . . . . 8 1 235 . 1 1 38 38 LYS H H 1 8.16 0.01 . 1 . . . . . . . . 8 1 236 . 1 1 38 38 LYS HA H 1 4.2 0.01 . 1 . . . . . . . . 8 1 237 . 1 1 38 38 LYS HB2 H 1 1.48 0.01 . 2 . . . . . . . . 8 1 238 . 1 1 38 38 LYS HB3 H 1 1.61 0.01 . 2 . . . . . . . . 8 1 239 . 1 1 38 38 LYS HG2 H 1 1.25 0.01 . 1 . . . . . . . . 8 1 240 . 1 1 38 38 LYS HG3 H 1 1.25 0.01 . 1 . . . . . . . . 8 1 241 . 1 1 38 38 LYS HD2 H 1 1.25 0.01 . 1 . . . . . . . . 8 1 242 . 1 1 38 38 LYS HD3 H 1 1.25 0.01 . 1 . . . . . . . . 8 1 243 . 1 1 38 38 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 8 1 244 . 1 1 38 38 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 8 1 245 . 1 1 39 39 VAL H H 1 8.55 0.01 . 1 . . . . . . . . 8 1 246 . 1 1 39 39 VAL HA H 1 3.66 0.01 . 1 . . . . . . . . 8 1 247 . 1 1 39 39 VAL HB H 1 .52 0.01 . 1 . . . . . . . . 8 1 248 . 1 1 39 39 VAL HG11 H 1 .48 0.01 . 2 . . . . . . . . 8 1 249 . 1 1 39 39 VAL HG12 H 1 .48 0.01 . 2 . . . . . . . . 8 1 250 . 1 1 39 39 VAL HG13 H 1 .48 0.01 . 2 . . . . . . . . 8 1 251 . 1 1 39 39 VAL HG21 H 1 .58 0.01 . 2 . . . . . . . . 8 1 252 . 1 1 39 39 VAL HG22 H 1 .58 0.01 . 2 . . . . . . . . 8 1 253 . 1 1 39 39 VAL HG23 H 1 .58 0.01 . 2 . . . . . . . . 8 1 254 . 1 1 40 40 VAL H H 1 7.7 0.01 . 1 . . . . . . . . 8 1 255 . 1 1 40 40 VAL HA H 1 4.78 0.01 . 1 . . . . . . . . 8 1 256 . 1 1 40 40 VAL HB H 1 1.77 0.01 . 1 . . . . . . . . 8 1 257 . 1 1 40 40 VAL HG11 H 1 .58 0.01 . 2 . . . . . . . . 8 1 258 . 1 1 40 40 VAL HG12 H 1 .58 0.01 . 2 . . . . . . . . 8 1 259 . 1 1 40 40 VAL HG13 H 1 .58 0.01 . 2 . . . . . . . . 8 1 260 . 1 1 40 40 VAL HG21 H 1 .61 0.01 . 2 . . . . . . . . 8 1 261 . 1 1 40 40 VAL HG22 H 1 .61 0.01 . 2 . . . . . . . . 8 1 262 . 1 1 40 40 VAL HG23 H 1 .61 0.01 . 2 . . . . . . . . 8 1 263 . 1 1 41 41 GLU H H 1 9.38 0.01 . 1 . . . . . . . . 8 1 264 . 1 1 41 41 GLU HA H 1 4.98 0.01 . 1 . . . . . . . . 8 1 265 . 1 1 41 41 GLU HB2 H 1 2.25 0.01 . 2 . . . . . . . . 8 1 266 . 1 1 41 41 GLU HB3 H 1 2.29 0.01 . 2 . . . . . . . . 8 1 267 . 1 1 42 42 LEU H H 1 8.76 0.01 . 1 . . . . . . . . 8 1 268 . 1 1 42 42 LEU HA H 1 5.07 0.01 . 1 . . . . . . . . 8 1 269 . 1 1 42 42 LEU HB2 H 1 1.52 0.01 . 1 . . . . . . . . 8 1 270 . 1 1 42 42 LEU HB3 H 1 1.52 0.01 . 1 . . . . . . . . 8 1 271 . 1 1 42 42 LEU HG H 1 1.52 0.01 . 1 . . . . . . . . 8 1 272 . 1 1 42 42 LEU HD11 H 1 .86 0.01 . 2 . . . . . . . . 8 1 273 . 1 1 42 42 LEU HD12 H 1 .86 0.01 . 2 . . . . . . . . 8 1 274 . 1 1 42 42 LEU HD13 H 1 .86 0.01 . 2 . . . . . . . . 8 1 275 . 1 1 42 42 LEU HD21 H 1 .92 0.01 . 2 . . . . . . . . 8 1 276 . 1 1 42 42 LEU HD22 H 1 .92 0.01 . 2 . . . . . . . . 8 1 277 . 1 1 42 42 LEU HD23 H 1 .92 0.01 . 2 . . . . . . . . 8 1 278 . 1 1 43 43 GLY H H 1 6.67 0.01 . 1 . . . . . . . . 8 1 279 . 1 1 43 43 GLY HA2 H 1 4.02 0.01 . 2 . . . . . . . . 8 1 280 . 1 1 43 43 GLY HA3 H 1 4.27 0.01 . 2 . . . . . . . . 8 1 281 . 1 1 44 44 CYS H H 1 8.45 0.01 . 1 . . . . . . . . 8 1 282 . 1 1 44 44 CYS HA H 1 5.57 0.01 . 1 . . . . . . . . 8 1 283 . 1 1 44 44 CYS HB2 H 1 3 0.01 . 2 . . . . . . . . 8 1 284 . 1 1 44 44 CYS HB3 H 1 3.22 0.01 . 2 . . . . . . . . 8 1 285 . 1 1 45 45 ALA H H 1 9.39 0.01 . 1 . . . . . . . . 8 1 286 . 1 1 45 45 ALA HA H 1 4.58 0.01 . 1 . . . . . . . . 8 1 287 . 1 1 45 45 ALA HB1 H 1 1.4 0.01 . 1 . . . . . . . . 8 1 288 . 1 1 45 45 ALA HB2 H 1 1.4 0.01 . 1 . . . . . . . . 8 1 289 . 1 1 45 45 ALA HB3 H 1 1.4 0.01 . 1 . . . . . . . . 8 1 290 . 1 1 46 46 ALA H H 1 8.77 0.01 . 1 . . . . . . . . 8 1 291 . 1 1 46 46 ALA HA H 1 4.84 0.01 . 1 . . . . . . . . 8 1 292 . 1 1 46 46 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 8 1 293 . 1 1 46 46 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 8 1 294 . 1 1 46 46 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 8 1 295 . 1 1 47 47 THR H H 1 7.4 0.01 . 1 . . . . . . . . 8 1 296 . 1 1 47 47 THR HA H 1 4.33 0.01 . 1 . . . . . . . . 8 1 297 . 1 1 47 47 THR HB H 1 3.96 0.01 . 1 . . . . . . . . 8 1 298 . 1 1 47 47 THR HG21 H 1 1.12 0.01 . 1 . . . . . . . . 8 1 299 . 1 1 47 47 THR HG22 H 1 1.12 0.01 . 1 . . . . . . . . 8 1 300 . 1 1 47 47 THR HG23 H 1 1.12 0.01 . 1 . . . . . . . . 8 1 301 . 1 1 48 48 CYS H H 1 9 0.01 . 1 . . . . . . . . 8 1 302 . 1 1 48 48 CYS HA H 1 4.55 0.01 . 1 . . . . . . . . 8 1 303 . 1 1 48 48 CYS HB2 H 1 2.91 0.01 . 1 . . . . . . . . 8 1 304 . 1 1 48 48 CYS HB3 H 1 2.91 0.01 . 1 . . . . . . . . 8 1 305 . 1 1 49 49 PRO HA H 1 4.15 0.01 . 1 . . . . . . . . 8 1 306 . 1 1 49 49 PRO HB2 H 1 1.55 0.01 . 2 . . . . . . . . 8 1 307 . 1 1 49 49 PRO HB3 H 1 2.1 0.01 . 2 . . . . . . . . 8 1 308 . 1 1 49 49 PRO HG2 H 1 1.03 0.01 . 2 . . . . . . . . 8 1 309 . 1 1 49 49 PRO HG3 H 1 1.38 0.01 . 2 . . . . . . . . 8 1 310 . 1 1 49 49 PRO HD2 H 1 3.18 0.01 . 1 . . . . . . . . 8 1 311 . 1 1 49 49 PRO HD3 H 1 3.18 0.01 . 1 . . . . . . . . 8 1 312 . 1 1 50 50 SER H H 1 8.01 0.01 . 1 . . . . . . . . 8 1 313 . 1 1 50 50 SER HA H 1 4.19 0.01 . 1 . . . . . . . . 8 1 314 . 1 1 50 50 SER HB2 H 1 3.75 0.01 . 2 . . . . . . . . 8 1 315 . 1 1 50 50 SER HB3 H 1 3.8 0.01 . 2 . . . . . . . . 8 1 316 . 1 1 51 51 LYS H H 1 8.3 0.01 . 1 . . . . . . . . 8 1 317 . 1 1 51 51 LYS HA H 1 4.32 0.01 . 1 . . . . . . . . 8 1 318 . 1 1 51 51 LYS HB2 H 1 1.75 0.01 . 2 . . . . . . . . 8 1 319 . 1 1 51 51 LYS HB3 H 1 1.95 0.01 . 2 . . . . . . . . 8 1 320 . 1 1 51 51 LYS HE2 H 1 3.11 0.01 . 1 . . . . . . . . 8 1 321 . 1 1 51 51 LYS HE3 H 1 3.11 0.01 . 1 . . . . . . . . 8 1 322 . 1 1 52 52 LYS H H 1 8.2 0.01 . 1 . . . . . . . . 8 1 323 . 1 1 52 52 LYS HA H 1 4.56 0.01 . 1 . . . . . . . . 8 1 324 . 1 1 52 52 LYS HB2 H 1 .99 0.01 . 1 . . . . . . . . 8 1 325 . 1 1 52 52 LYS HB3 H 1 .99 0.01 . 1 . . . . . . . . 8 1 326 . 1 1 52 52 LYS HG2 H 1 1.31 0.01 . 2 . . . . . . . . 8 1 327 . 1 1 52 52 LYS HG3 H 1 1.36 0.01 . 2 . . . . . . . . 8 1 328 . 1 1 52 52 LYS HD2 H 1 1.48 0.01 . 2 . . . . . . . . 8 1 329 . 1 1 52 52 LYS HD3 H 1 1.6 0.01 . 2 . . . . . . . . 8 1 330 . 1 1 52 52 LYS HE2 H 1 2.88 0.01 . 1 . . . . . . . . 8 1 331 . 1 1 52 52 LYS HE3 H 1 2.88 0.01 . 1 . . . . . . . . 8 1 332 . 1 1 53 53 PRO HA H 1 4.17 0.01 . 1 . . . . . . . . 8 1 333 . 1 1 53 53 PRO HB2 H 1 1.74 0.01 . 2 . . . . . . . . 8 1 334 . 1 1 53 53 PRO HB3 H 1 2.19 0.01 . 2 . . . . . . . . 8 1 335 . 1 1 54 54 TYR H H 1 7.29 0.01 . 1 . . . . . . . . 8 1 336 . 1 1 54 54 TYR HA H 1 4.55 0.01 . 1 . . . . . . . . 8 1 337 . 1 1 54 54 TYR HB2 H 1 3.17 0.01 . 2 . . . . . . . . 8 1 338 . 1 1 54 54 TYR HB3 H 1 3.44 0.01 . 2 . . . . . . . . 8 1 339 . 1 1 54 54 TYR HD1 H 1 7.1 0.01 . 1 . . . . . . . . 8 1 340 . 1 1 54 54 TYR HD2 H 1 7.1 0.01 . 1 . . . . . . . . 8 1 341 . 1 1 54 54 TYR HE1 H 1 6.74 0.01 . 1 . . . . . . . . 8 1 342 . 1 1 54 54 TYR HE2 H 1 6.74 0.01 . 1 . . . . . . . . 8 1 343 . 1 1 55 55 GLU H H 1 7.68 0.01 . 1 . . . . . . . . 8 1 344 . 1 1 55 55 GLU HA H 1 5.11 0.01 . 1 . . . . . . . . 8 1 345 . 1 1 55 55 GLU HB2 H 1 2 0.01 . 1 . . . . . . . . 8 1 346 . 1 1 55 55 GLU HB3 H 1 2 0.01 . 1 . . . . . . . . 8 1 347 . 1 1 55 55 GLU HG2 H 1 1.89 0.01 . 2 . . . . . . . . 8 1 348 . 1 1 55 55 GLU HG3 H 1 2 0.01 . 2 . . . . . . . . 8 1 349 . 1 1 56 56 GLU H H 1 8.82 0.01 . 1 . . . . . . . . 8 1 350 . 1 1 56 56 GLU HA H 1 4.76 0.01 . 1 . . . . . . . . 8 1 351 . 1 1 56 56 GLU HB2 H 1 2.3 0.01 . 2 . . . . . . . . 8 1 352 . 1 1 56 56 GLU HB3 H 1 2.34 0.01 . 2 . . . . . . . . 8 1 353 . 1 1 56 56 GLU HG2 H 1 2 0.01 . 1 . . . . . . . . 8 1 354 . 1 1 56 56 GLU HG3 H 1 2 0.01 . 1 . . . . . . . . 8 1 355 . 1 1 57 57 VAL H H 1 8.57 0.01 . 1 . . . . . . . . 8 1 356 . 1 1 57 57 VAL HA H 1 5.32 0.01 . 1 . . . . . . . . 8 1 357 . 1 1 57 57 VAL HB H 1 1.87 0.01 . 1 . . . . . . . . 8 1 358 . 1 1 57 57 VAL HG11 H 1 .88 0.01 . 2 . . . . . . . . 8 1 359 . 1 1 57 57 VAL HG12 H 1 .88 0.01 . 2 . . . . . . . . 8 1 360 . 1 1 57 57 VAL HG13 H 1 .88 0.01 . 2 . . . . . . . . 8 1 361 . 1 1 57 57 VAL HG21 H 1 .94 0.01 . 2 . . . . . . . . 8 1 362 . 1 1 57 57 VAL HG22 H 1 .94 0.01 . 2 . . . . . . . . 8 1 363 . 1 1 57 57 VAL HG23 H 1 .94 0.01 . 2 . . . . . . . . 8 1 364 . 1 1 58 58 THR H H 1 9.03 0.01 . 1 . . . . . . . . 8 1 365 . 1 1 58 58 THR HA H 1 4.76 0.01 . 1 . . . . . . . . 8 1 366 . 1 1 58 58 THR HB H 1 3.99 0.01 . 1 . . . . . . . . 8 1 367 . 1 1 58 58 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 8 1 368 . 1 1 58 58 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 8 1 369 . 1 1 58 58 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 8 1 370 . 1 1 59 59 CYS H H 1 9.16 0.01 . 1 . . . . . . . . 8 1 371 . 1 1 59 59 CYS HA H 1 5.62 0.01 . 1 . . . . . . . . 8 1 372 . 1 1 59 59 CYS HB2 H 1 3.02 0.01 . 2 . . . . . . . . 8 1 373 . 1 1 59 59 CYS HB3 H 1 3.72 0.01 . 2 . . . . . . . . 8 1 374 . 1 1 60 60 CYS H H 1 9.19 0.01 . 1 . . . . . . . . 8 1 375 . 1 1 60 60 CYS HA H 1 5.12 0.01 . 1 . . . . . . . . 8 1 376 . 1 1 60 60 CYS HB2 H 1 3.41 0.01 . 2 . . . . . . . . 8 1 377 . 1 1 60 60 CYS HB3 H 1 3.59 0.01 . 2 . . . . . . . . 8 1 378 . 1 1 61 61 SER H H 1 8.87 0.01 . 1 . . . . . . . . 8 1 379 . 1 1 61 61 SER HA H 1 4.94 0.01 . 1 . . . . . . . . 8 1 380 . 1 1 61 61 SER HB2 H 1 3.8 0.01 . 2 . . . . . . . . 8 1 381 . 1 1 61 61 SER HB3 H 1 4.19 0.01 . 2 . . . . . . . . 8 1 382 . 1 1 62 62 THR H H 1 7.51 0.01 . 1 . . . . . . . . 8 1 383 . 1 1 62 62 THR HA H 1 4.75 0.01 . 1 . . . . . . . . 8 1 384 . 1 1 62 62 THR HB H 1 4.27 0.01 . 1 . . . . . . . . 8 1 385 . 1 1 62 62 THR HG21 H 1 1.21 0.01 . 1 . . . . . . . . 8 1 386 . 1 1 62 62 THR HG22 H 1 1.21 0.01 . 1 . . . . . . . . 8 1 387 . 1 1 62 62 THR HG23 H 1 1.21 0.01 . 1 . . . . . . . . 8 1 388 . 1 1 63 63 ASP H H 1 8.33 0.01 . 1 . . . . . . . . 8 1 389 . 1 1 63 63 ASP HA H 1 4.75 0.01 . 1 . . . . . . . . 8 1 390 . 1 1 63 63 ASP HB2 H 1 2.34 0.01 . 1 . . . . . . . . 8 1 391 . 1 1 63 63 ASP HB3 H 1 2.34 0.01 . 1 . . . . . . . . 8 1 392 . 1 1 64 64 LYS H H 1 9.93 0.01 . 1 . . . . . . . . 8 1 393 . 1 1 64 64 LYS HA H 1 3.14 0.01 . 1 . . . . . . . . 8 1 394 . 1 1 64 64 LYS HB2 H 1 .36 0.01 . 2 . . . . . . . . 8 1 395 . 1 1 64 64 LYS HB3 H 1 1.01 0.01 . 2 . . . . . . . . 8 1 396 . 1 1 64 64 LYS HG2 H 1 1.52 0.01 . 2 . . . . . . . . 8 1 397 . 1 1 64 64 LYS HG3 H 1 1.95 0.01 . 2 . . . . . . . . 8 1 398 . 1 1 64 64 LYS HD2 H 1 1.49 0.01 . 2 . . . . . . . . 8 1 399 . 1 1 64 64 LYS HD3 H 1 1.53 0.01 . 2 . . . . . . . . 8 1 400 . 1 1 64 64 LYS HE2 H 1 2.65 0.01 . 2 . . . . . . . . 8 1 401 . 1 1 64 64 LYS HE3 H 1 2.75 0.01 . 2 . . . . . . . . 8 1 402 . 1 1 65 65 CYS H H 1 7.64 0.01 . 1 . . . . . . . . 8 1 403 . 1 1 65 65 CYS HA H 1 4.53 0.01 . 1 . . . . . . . . 8 1 404 . 1 1 65 65 CYS HB2 H 1 3.5 0.01 . 2 . . . . . . . . 8 1 405 . 1 1 65 65 CYS HB3 H 1 3.75 0.01 . 2 . . . . . . . . 8 1 406 . 1 1 66 66 ASN H H 1 8.92 0.01 . 1 . . . . . . . . 8 1 407 . 1 1 66 66 ASN HA H 1 4.97 0.01 . 1 . . . . . . . . 8 1 408 . 1 1 66 66 ASN HB2 H 1 2.54 0.01 . 1 . . . . . . . . 8 1 409 . 1 1 66 66 ASN HB3 H 1 2.54 0.01 . 1 . . . . . . . . 8 1 410 . 1 1 66 66 ASN HD21 H 1 7.53 0.01 . 2 . . . . . . . . 8 1 411 . 1 1 66 66 ASN HD22 H 1 7.82 0.01 . 2 . . . . . . . . 8 1 412 . 1 1 67 67 PRO HA H 1 3.77 0.01 . 1 . . . . . . . . 8 1 413 . 1 1 67 67 PRO HB2 H 1 1.76 0.01 . 2 . . . . . . . . 8 1 414 . 1 1 67 67 PRO HB3 H 1 2.11 0.01 . 2 . . . . . . . . 8 1 415 . 1 1 67 67 PRO HG2 H 1 1.67 0.01 . 2 . . . . . . . . 8 1 416 . 1 1 67 67 PRO HG3 H 1 1.84 0.01 . 2 . . . . . . . . 8 1 417 . 1 1 67 67 PRO HD2 H 1 3.57 0.01 . 1 . . . . . . . . 8 1 418 . 1 1 67 67 PRO HD3 H 1 3.57 0.01 . 1 . . . . . . . . 8 1 419 . 1 1 68 68 HIS H H 1 8.49 0.01 . 1 . . . . . . . . 8 1 420 . 1 1 68 68 HIS HA H 1 4.21 0.01 . 1 . . . . . . . . 8 1 421 . 1 1 68 68 HIS HB2 H 1 2.86 0.01 . 2 . . . . . . . . 8 1 422 . 1 1 68 68 HIS HB3 H 1 3 0.01 . 2 . . . . . . . . 8 1 423 . 1 1 68 68 HIS HD2 H 1 6.99 0.01 . 1 . . . . . . . . 8 1 424 . 1 1 68 68 HIS HE1 H 1 8.5 0.01 . 1 . . . . . . . . 8 1 425 . 1 1 69 69 PRO HA H 1 4.42 0.01 . 1 . . . . . . . . 8 1 426 . 1 1 69 69 PRO HB2 H 1 2.25 0.01 . 1 . . . . . . . . 8 1 427 . 1 1 69 69 PRO HB3 H 1 2.25 0.01 . 1 . . . . . . . . 8 1 428 . 1 1 69 69 PRO HG2 H 1 1.87 0.01 . 1 . . . . . . . . 8 1 429 . 1 1 69 69 PRO HG3 H 1 1.87 0.01 . 1 . . . . . . . . 8 1 430 . 1 1 69 69 PRO HD2 H 1 2.86 0.01 . 2 . . . . . . . . 8 1 431 . 1 1 69 69 PRO HD3 H 1 3.51 0.01 . 2 . . . . . . . . 8 1 432 . 1 1 70 70 LYS H H 1 9.02 0.01 . 1 . . . . . . . . 8 1 433 . 1 1 70 70 LYS HA H 1 4.31 0.01 . 1 . . . . . . . . 8 1 434 . 1 1 70 70 LYS HB2 H 1 1.77 0.01 . 2 . . . . . . . . 8 1 435 . 1 1 70 70 LYS HB3 H 1 1.85 0.01 . 2 . . . . . . . . 8 1 436 . 1 1 70 70 LYS HG2 H 1 1.45 0.01 . 1 . . . . . . . . 8 1 437 . 1 1 70 70 LYS HG3 H 1 1.45 0.01 . 1 . . . . . . . . 8 1 438 . 1 1 70 70 LYS HD2 H 1 1.7 0.01 . 1 . . . . . . . . 8 1 439 . 1 1 70 70 LYS HD3 H 1 1.7 0.01 . 1 . . . . . . . . 8 1 440 . 1 1 70 70 LYS HE2 H 1 3 0.01 . 1 . . . . . . . . 8 1 441 . 1 1 70 70 LYS HE3 H 1 3 0.01 . 1 . . . . . . . . 8 1 442 . 1 1 71 71 ARG H H 1 8.29 0.01 . 1 . . . . . . . . 8 1 443 . 1 1 71 71 ARG HA H 1 4.63 0.01 . 1 . . . . . . . . 8 1 444 . 1 1 71 71 ARG HB2 H 1 1.75 0.01 . 2 . . . . . . . . 8 1 445 . 1 1 71 71 ARG HB3 H 1 1.87 0.01 . 2 . . . . . . . . 8 1 446 . 1 1 71 71 ARG HG2 H 1 1.46 0.01 . 2 . . . . . . . . 8 1 447 . 1 1 71 71 ARG HG3 H 1 1.68 0.01 . 2 . . . . . . . . 8 1 448 . 1 1 71 71 ARG HD2 H 1 3.21 0.01 . 1 . . . . . . . . 8 1 449 . 1 1 71 71 ARG HD3 H 1 3.21 0.01 . 1 . . . . . . . . 8 1 450 . 1 1 71 71 ARG HE H 1 7.16 0.01 . 1 . . . . . . . . 8 1 451 . 1 1 72 72 GLN H H 1 8.37 0.01 . 1 . . . . . . . . 8 1 452 . 1 1 72 72 GLN HA H 1 4.32 0.01 . 1 . . . . . . . . 8 1 453 . 1 1 72 72 GLN HB2 H 1 2.04 0.01 . 2 . . . . . . . . 8 1 454 . 1 1 72 72 GLN HB3 H 1 2.32 0.01 . 2 . . . . . . . . 8 1 455 . 1 1 72 72 GLN HG2 H 1 1.97 0.01 . 1 . . . . . . . . 8 1 456 . 1 1 72 72 GLN HG3 H 1 1.97 0.01 . 1 . . . . . . . . 8 1 457 . 1 1 73 73 PRO HA H 1 4.43 0.01 . 1 . . . . . . . . 8 1 458 . 1 1 73 73 PRO HB2 H 1 2.28 0.01 . 1 . . . . . . . . 8 1 459 . 1 1 73 73 PRO HB3 H 1 2.28 0.01 . 1 . . . . . . . . 8 1 460 . 1 1 73 73 PRO HG2 H 1 2 0.01 . 1 . . . . . . . . 8 1 461 . 1 1 73 73 PRO HG3 H 1 2 0.01 . 1 . . . . . . . . 8 1 462 . 1 1 73 73 PRO HD2 H 1 3.67 0.01 . 2 . . . . . . . . 8 1 463 . 1 1 73 73 PRO HD3 H 1 3.78 0.01 . 2 . . . . . . . . 8 1 464 . 1 1 74 74 GLY H H 1 7.95 0.01 . 1 . . . . . . . . 8 1 465 . 1 1 74 74 GLY HA2 H 1 3.8 0.01 . 1 . . . . . . . . 8 1 466 . 1 1 74 74 GLY HA3 H 1 3.8 0.01 . 1 . . . . . . . . 8 1 stop_ save_