data_4195 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4195 _Entry.Title ; Solution NMR Structure of the Complex of Alpha-Bungarotoxin with a Library-Derived Peptide (NMR, Average Structure) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-09-07 _Entry.Accession_date 1998-09-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Scherf . . . 4195 2 M. Balass . . . 4195 3 S. Fuchs . . . 4195 4 E. Katchalski-Katzir . . . 4195 5 J. Anglister . . . 4195 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4195 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 477 4195 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 . . 2000-03-22 . update BMRB 'second polypeptide chain added' 4195 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4195 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 97322323 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Scherf, T., Balass M., Fuchs, S., Katchalski-Katzir, E., and Anglister, J., "Three-Dimensional Solution Structure of the Complex of Alpha-Bungarotoxin with a Library-Derived Peptide", Proc. Natl. Acad. Sci. U.S.A. 94, 6059-6064 (1997). ; _Citation.Title ; Three-Dimensional Solution Structure of the Complex of Alpha-Bungarotoxin with a Library-Derived Peptide ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences,USA' _Citation.Journal_volume 94 _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 6059 _Citation.Page_last 6064 _Citation.Year 1997 _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 T. Scherf . . . 4195 1 2 M. Balass . . . 4195 1 3 S. Fuchs . . . 4195 1 4 E. Katchalski-Katzir . . . 4195 1 5 J. Anglister . . . 4195 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Alpha-Bungarotoxin 4195 1 Complex 4195 1 'Library Peptide' 4195 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4195 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 3653402 _Citation.Full_citation 'FEBS LETTERS V. 222 79-82 1987' _Citation.Title 'Primary structure of alpha-bungarotoxin. Six amino acid residues differ from the previously reported sequence.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 222 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0014-5793 _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 79 _Citation.Page_last 82 _Citation.Year 1987 _Citation.Details ; alpha-Bungarotoxin (alpha-BuTx) was isolated from the venom of the Formosan banded krait (Bungarus multicinctus). The amino acid sequence was determined by a combination of conventional methods. In contrast to the sequence of alpha-BuTx reported by Mebs et al. ([1971) Biochem. Biophys. Res. Commun. 44, 711-716], our results revealed the presence of Ser-Pro-Ile, Pro-His and Gln-Arg at positions 9-11, 67-68 and 71-72 from the amino-terminal, respectively, and not Ile-Pro-Ser, His-Pro and Arg-Gln as reported previously. ; 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 M Ohta M. . . 4195 2 2 K Ohta K. . . 4195 2 3 H Nishitani H. . . 4195 2 4 K Hayashi K. . . 4195 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_a-BTX_library_peptide _Assembly.Sf_category assembly _Assembly.Sf_framecode system_a-BTX_library_peptide _Assembly.Entry_ID 4195 _Assembly.ID 1 _Assembly.Name 'Alpha-Bungaratoxin/Library Peptide Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state '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 monomer 4195 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-BTX 1 $a-BTX . . . native . . . . . 4195 1 2 'library peptide' 2 $library_peptide . . . native . . . . . 4195 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'a-BTX library peptide' abbreviation 4195 1 'Alpha-Bungaratoxin/Library Peptide Complex' system 4195 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_a-BTX _Entity.Sf_category entity _Entity.Sf_framecode a-BTX _Entity.Entry_ID 4195 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name alpha-Bungarotoxin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; IVCHTTATSPISAVTCPPGE NLCYRKMWCDAFCSSRGKVV ELGCAATCPSKKPYEEVTCC STDKCNPHPKQRPG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 . _Entity.DB_query_revised_last_date 2015-11-25 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 74 100.00 100.00 2.11e-45 . . . . 4195 1 2 no PDB 1ABT . "Nmr Solution Structure Of An Alpha-Bungarotoxin(Slash) Nicotinic Receptor Peptide Complex" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 3 no PDB 1BXP . "Solution Nmr Structure Of The Complex Of Alpha-Bungarotoxin With A Library Derived Peptide, 20 Structures" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 4 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 74 100.00 100.00 2.11e-45 . . . . 4195 1 5 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 74 100.00 100.00 2.11e-45 . . . . 4195 1 6 no PDB 1HC9 . "A-Bungarotoxin Complexed With High Affinity Peptide" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 7 no PDB 1HOY . "Nmr Structure Of The Complex Between A-Bungarotoxin And A Mimotope Of The Nicotinic Acetilcholine Receptor" . . . . . 98.65 74 100.00 100.00 1.45e-44 . . . . 4195 1 8 no PDB 1IDG . "The Nmr Solution Structure Of The Complex Formed Between Alpha-Bungarotoxin And An 18mer Cognate Peptide" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 9 no PDB 1IDH . "The Nmr Solution Structure Of The Complex Formed Between Alpha-Bungarotoxin And An 18mer Cognate Peptide" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 10 no PDB 1IDI . "The Nmr Solution Structure Of Alpha-Bungarotoxin" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 11 no PDB 1IDL . "The Nmr Solution Structure Of Alpha-Bungarotoxin" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 12 no PDB 1IK8 . "Nmr Structure Of Alpha-Bungarotoxin" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 13 no PDB 1IKC . "Nmr Structure Of Alpha-Bungarotoxin" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 14 no PDB 1JBD . "Nmr Structure Of The Complex Between Alpha-Bungarotoxin And A Mimotope Of The Nicotinic Acetilcholine Receptor" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 15 no PDB 1KC4 . "Nmr Structural Analysis Of The Complex Formed Between Alpha- Bungarotoxin And The Principal Alpha-Neurotoxin Binding Sequence O" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 16 no PDB 1KFH . "Solution Structure Of Alpha-Bungarotoxin By Nmr Spectroscopy" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 17 no PDB 1KL8 . "Nmr Structural Analysis Of The Complex Formed Between Alpha- Bungarotoxin And The Principal Alpha-Neurotoxin Binding Sequence O" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 18 no PDB 1L4W . "Nmr Structure Of An Achr-Peptide (Torpedo Californica, Alpha-Subunit Residues 182-202) In Complex With Alpha- Bungarotoxin" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 19 no PDB 1LJZ . "Nmr Structure Of An Achr-peptide (torpedo Californica, Alpha-subunit Residues 182-202) In Complex With Alpha-bungarotoxin" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 20 no PDB 1RGJ . "Nmr Structure Of The Complex Between Alpha-Bungarotoxin And Mimotope Of The Nicotinic Acetilcholine Receptor With Enhanced Acti" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 21 no PDB 2BTX . "Solution Nmr Structure Of The Complex Of Alpha-Bungarotoxin With A Library Derived Peptide, Nmr, Minimized Average Structure" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 22 no PDB 2QC1 . "Crystal Structure Of The Extracellular Domain Of The Nicotinic Acetylcholine Receptor 1 Subunit Bound To Alpha-Bungarotoxin At " . . . . . 100.00 74 98.65 98.65 9.07e-45 . . . . 4195 1 23 no PDB 4HQP . "Alpha7 Nicotinic Receptor Chimera And Its Complex With Alpha Bungarotoxin" . . . . . 98.65 73 98.63 98.63 6.90e-44 . . . . 4195 1 24 no PDB 4UY2 . "Crystal Structure Of The Complex Of The Extracellular Domain Of Human Alpha9 Nachr With Alpha-bungarotoxin." . . . . . 100.00 74 98.65 98.65 9.07e-45 . . . . 4195 1 25 no EMBL CAA63045 . "alpha-bungarotoxin [Bungarus multicinctus]" . . . . . 100.00 74 100.00 100.00 2.11e-45 . . . . 4195 1 26 no EMBL CAB50692 . "snake venom [Bungarus multicinctus]" . . . . . 100.00 95 98.65 98.65 1.70e-45 . . . . 4195 1 27 no EMBL CAB51841 . "alpha-bungarotoxin (V31) [Bungarus multicinctus]" . . . . . 100.00 95 98.65 98.65 1.65e-45 . . . . 4195 1 28 no EMBL CAB51842 . "alpha-bungarotoxin (A31) [Bungarus multicinctus]" . . . . . 100.00 95 100.00 100.00 5.26e-46 . . . . 4195 1 29 no EMBL CAB51843 . "alpha-bungarotoxin (V31) [Bungarus multicinctus]" . . . . . 100.00 95 98.65 98.65 1.65e-45 . . . . 4195 1 30 no GB AAC83981 . "alpha-bungarotoxin precursor [Bungarus multicinctus]" . . . . . 100.00 95 100.00 100.00 5.26e-46 . . . . 4195 1 31 no GB AAC83982 . "alpha-bungarotoxin [Bungarus multicinctus]" . . . . . 100.00 74 98.65 100.00 6.33e-45 . . . . 4195 1 32 no GB AAC83983 . "alpha-bungarotoxin isoform R2 [Bungarus multicinctus]" . . . . . 100.00 74 98.65 100.00 6.33e-45 . . . . 4195 1 33 no GB AAC83984 . "alpha-bungarotoxin isoform R3 [Bungarus multicinctus]" . . . . . 100.00 74 98.65 100.00 6.33e-45 . . . . 4195 1 34 no GB AAC83985 . "alpha-bungarotoxin isoform R4 [Bungarus multicinctus]" . . . . . 100.00 74 97.30 100.00 3.53e-44 . . . . 4195 1 35 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 95 100.00 100.00 5.26e-46 . . . . 4195 1 36 no SP P60616 . "RecName: Full=Alpha-bungarotoxin isoform V31; Short=Alpha-BTX V31; Short=Alpha-Bgt(V31); Short=BGTX V31; AltName: Full=Long neu" . . . . . 100.00 95 98.65 98.65 1.65e-45 . . . . 4195 1 37 no SP Q7T3J2 . "RecName: Full=Alpha-elapitoxin-Bm2a; Short=Alpha-EPTX-Bm2a; AltName: Full=Alpha-bungarotoxin, isoform A31; Flags: Precursor" . . . . . 100.00 95 100.00 100.00 5.26e-46 . . . . 4195 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID a-BTX abbreviation 4195 1 alpha-Bungarotoxin common 4195 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 . 4195 1 2 . VAL . 4195 1 3 . CYS . 4195 1 4 . HIS . 4195 1 5 . THR . 4195 1 6 . THR . 4195 1 7 . ALA . 4195 1 8 . THR . 4195 1 9 . SER . 4195 1 10 . PRO . 4195 1 11 . ILE . 4195 1 12 . SER . 4195 1 13 . ALA . 4195 1 14 . VAL . 4195 1 15 . THR . 4195 1 16 . CYS . 4195 1 17 . PRO . 4195 1 18 . PRO . 4195 1 19 . GLY . 4195 1 20 . GLU . 4195 1 21 . ASN . 4195 1 22 . LEU . 4195 1 23 . CYS . 4195 1 24 . TYR . 4195 1 25 . ARG . 4195 1 26 . LYS . 4195 1 27 . MET . 4195 1 28 . TRP . 4195 1 29 . CYS . 4195 1 30 . ASP . 4195 1 31 . ALA . 4195 1 32 . PHE . 4195 1 33 . CYS . 4195 1 34 . SER . 4195 1 35 . SER . 4195 1 36 . ARG . 4195 1 37 . GLY . 4195 1 38 . LYS . 4195 1 39 . VAL . 4195 1 40 . VAL . 4195 1 41 . GLU . 4195 1 42 . LEU . 4195 1 43 . GLY . 4195 1 44 . CYS . 4195 1 45 . ALA . 4195 1 46 . ALA . 4195 1 47 . THR . 4195 1 48 . CYS . 4195 1 49 . PRO . 4195 1 50 . SER . 4195 1 51 . LYS . 4195 1 52 . LYS . 4195 1 53 . PRO . 4195 1 54 . TYR . 4195 1 55 . GLU . 4195 1 56 . GLU . 4195 1 57 . VAL . 4195 1 58 . THR . 4195 1 59 . CYS . 4195 1 60 . CYS . 4195 1 61 . SER . 4195 1 62 . THR . 4195 1 63 . ASP . 4195 1 64 . LYS . 4195 1 65 . CYS . 4195 1 66 . ASN . 4195 1 67 . PRO . 4195 1 68 . HIS . 4195 1 69 . PRO . 4195 1 70 . LYS . 4195 1 71 . GLN . 4195 1 72 . ARG . 4195 1 73 . PRO . 4195 1 74 . GLY . 4195 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 4195 1 . VAL 2 2 4195 1 . CYS 3 3 4195 1 . HIS 4 4 4195 1 . THR 5 5 4195 1 . THR 6 6 4195 1 . ALA 7 7 4195 1 . THR 8 8 4195 1 . SER 9 9 4195 1 . PRO 10 10 4195 1 . ILE 11 11 4195 1 . SER 12 12 4195 1 . ALA 13 13 4195 1 . VAL 14 14 4195 1 . THR 15 15 4195 1 . CYS 16 16 4195 1 . PRO 17 17 4195 1 . PRO 18 18 4195 1 . GLY 19 19 4195 1 . GLU 20 20 4195 1 . ASN 21 21 4195 1 . LEU 22 22 4195 1 . CYS 23 23 4195 1 . TYR 24 24 4195 1 . ARG 25 25 4195 1 . LYS 26 26 4195 1 . MET 27 27 4195 1 . TRP 28 28 4195 1 . CYS 29 29 4195 1 . ASP 30 30 4195 1 . ALA 31 31 4195 1 . PHE 32 32 4195 1 . CYS 33 33 4195 1 . SER 34 34 4195 1 . SER 35 35 4195 1 . ARG 36 36 4195 1 . GLY 37 37 4195 1 . LYS 38 38 4195 1 . VAL 39 39 4195 1 . VAL 40 40 4195 1 . GLU 41 41 4195 1 . LEU 42 42 4195 1 . GLY 43 43 4195 1 . CYS 44 44 4195 1 . ALA 45 45 4195 1 . ALA 46 46 4195 1 . THR 47 47 4195 1 . CYS 48 48 4195 1 . PRO 49 49 4195 1 . SER 50 50 4195 1 . LYS 51 51 4195 1 . LYS 52 52 4195 1 . PRO 53 53 4195 1 . TYR 54 54 4195 1 . GLU 55 55 4195 1 . GLU 56 56 4195 1 . VAL 57 57 4195 1 . THR 58 58 4195 1 . CYS 59 59 4195 1 . CYS 60 60 4195 1 . SER 61 61 4195 1 . THR 62 62 4195 1 . ASP 63 63 4195 1 . LYS 64 64 4195 1 . CYS 65 65 4195 1 . ASN 66 66 4195 1 . PRO 67 67 4195 1 . HIS 68 68 4195 1 . PRO 69 69 4195 1 . LYS 70 70 4195 1 . GLN 71 71 4195 1 . ARG 72 72 4195 1 . PRO 73 73 4195 1 . GLY 74 74 4195 1 stop_ save_ save_library_peptide _Entity.Sf_category entity _Entity.Sf_framecode library_peptide _Entity.Entry_ID 4195 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'synthetic 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 MRYYESSLKSYPD _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'synthetic peptide' common 4195 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 . MET . 4195 2 2 . ARG . 4195 2 3 . TYR . 4195 2 4 . TYR . 4195 2 5 . GLU . 4195 2 6 . SER . 4195 2 7 . SER . 4195 2 8 . LEU . 4195 2 9 . LYS . 4195 2 10 . SER . 4195 2 11 . TYR . 4195 2 12 . PRO . 4195 2 13 . ASP . 4195 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 . MET 1 1 4195 2 . ARG 2 2 4195 2 . TYR 3 3 4195 2 . TYR 4 4 4195 2 . GLU 5 5 4195 2 . SER 6 6 4195 2 . SER 7 7 4195 2 . LEU 8 8 4195 2 . LYS 9 9 4195 2 . SER 10 10 4195 2 . TYR 11 11 4195 2 . PRO 12 12 4195 2 . ASP 13 13 4195 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 4195 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $a-BTX . 8616 . . 'Bungarus multicinctus' 'Snake: Banded Krait' . . Eukaryota Metazoa Bungarus multicinctus . . . . venom . . . . . . . . . . . . . . . . 4195 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 4195 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $a-BTX . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4195 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4195 _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 . . 5 . . mM . . . . 4195 1 2 'synthetic peptide' . . . 2 $library_peptide . . 5 . . mM . . . . 4195 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4195 _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 'ionic strength' 0.03 0.002 M 4195 1 pH 5.8 0.1 n/a 4195 1 temperature 303 1 K 4195 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4195 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AM _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4195 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4195 _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_one Bruker AM . 500 . . . 4195 1 2 NMR_spectrometer_two Bruker DMX . 600 . . . 4195 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 4195 _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 COSY . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4195 1 2 DQF-COSY . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4195 1 3 TOCSY . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4195 1 4 NOESY . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4195 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4195 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . 4195 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_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4195 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_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 . 4195 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 4.14 0.01 . 1 . . . . . . . . 4195 1 2 . 1 1 1 1 ILE HB H 1 1.84 0.01 . 1 . . . . . . . . 4195 1 3 . 1 1 1 1 ILE HG12 H 1 1.16 0.01 . 1 . . . . . . . . 4195 1 4 . 1 1 1 1 ILE HG13 H 1 1.16 0.01 . 1 . . . . . . . . 4195 1 5 . 1 1 1 1 ILE HG21 H 1 0.87 0.01 . 1 . . . . . . . . 4195 1 6 . 1 1 1 1 ILE HG22 H 1 0.87 0.01 . 1 . . . . . . . . 4195 1 7 . 1 1 1 1 ILE HG23 H 1 0.87 0.01 . 1 . . . . . . . . 4195 1 8 . 1 1 1 1 ILE HD11 H 1 0.72 0.01 . 1 . . . . . . . . 4195 1 9 . 1 1 1 1 ILE HD12 H 1 0.72 0.01 . 1 . . . . . . . . 4195 1 10 . 1 1 1 1 ILE HD13 H 1 0.72 0.01 . 1 . . . . . . . . 4195 1 11 . 1 1 2 2 VAL H H 1 8.08 0.01 . 1 . . . . . . . . 4195 1 12 . 1 1 2 2 VAL HA H 1 4.95 0.01 . 1 . . . . . . . . 4195 1 13 . 1 1 2 2 VAL HB H 1 1.51 0.01 . 1 . . . . . . . . 4195 1 14 . 1 1 2 2 VAL HG11 H 1 0.53 0.01 . 1 . . . . . . . . 4195 1 15 . 1 1 2 2 VAL HG12 H 1 0.53 0.01 . 1 . . . . . . . . 4195 1 16 . 1 1 2 2 VAL HG13 H 1 0.53 0.01 . 1 . . . . . . . . 4195 1 17 . 1 1 2 2 VAL HG21 H 1 0.82 0.01 . 1 . . . . . . . . 4195 1 18 . 1 1 2 2 VAL HG22 H 1 0.82 0.01 . 1 . . . . . . . . 4195 1 19 . 1 1 2 2 VAL HG23 H 1 0.82 0.01 . 1 . . . . . . . . 4195 1 20 . 1 1 3 3 CYS H H 1 8.75 0.01 . 1 . . . . . . . . 4195 1 21 . 1 1 3 3 CYS HA H 1 5.02 0.01 . 1 . . . . . . . . 4195 1 22 . 1 1 3 3 CYS HB2 H 1 2.41 0.01 . 1 . . . . . . . . 4195 1 23 . 1 1 3 3 CYS HB3 H 1 2.96 0.01 . 1 . . . . . . . . 4195 1 24 . 1 1 4 4 HIS H H 1 9.18 0.01 . 1 . . . . . . . . 4195 1 25 . 1 1 4 4 HIS HA H 1 5.04 0.01 . 1 . . . . . . . . 4195 1 26 . 1 1 4 4 HIS HB2 H 1 2.52 0.01 . 2 . . . . . . . . 4195 1 27 . 1 1 4 4 HIS HB3 H 1 2.83 0.01 . 2 . . . . . . . . 4195 1 28 . 1 1 4 4 HIS HD2 H 1 6.31 0.01 . 1 . . . . . . . . 4195 1 29 . 1 1 4 4 HIS HE1 H 1 7.14 0.01 . 1 . . . . . . . . 4195 1 30 . 1 1 5 5 THR H H 1 8.96 0.01 . 1 . . . . . . . . 4195 1 31 . 1 1 5 5 THR HA H 1 5.19 0.01 . 1 . . . . . . . . 4195 1 32 . 1 1 5 5 THR HB H 1 3.99 0.01 . 1 . . . . . . . . 4195 1 33 . 1 1 5 5 THR HG1 H 1 6.32 0.01 . 1 . . . . . . . . 4195 1 34 . 1 1 5 5 THR HG21 H 1 1.31 0.01 . 1 . . . . . . . . 4195 1 35 . 1 1 5 5 THR HG22 H 1 1.31 0.01 . 1 . . . . . . . . 4195 1 36 . 1 1 5 5 THR HG23 H 1 1.31 0.01 . 1 . . . . . . . . 4195 1 37 . 1 1 6 6 THR H H 1 8.08 0.01 . 1 . . . . . . . . 4195 1 38 . 1 1 6 6 THR HA H 1 4.48 0.01 . 1 . . . . . . . . 4195 1 39 . 1 1 6 6 THR HB H 1 5.29 0.01 . 1 . . . . . . . . 4195 1 40 . 1 1 6 6 THR HG1 H 1 6.71 0.01 . 1 . . . . . . . . 4195 1 41 . 1 1 6 6 THR HG21 H 1 1.02 0.01 . 1 . . . . . . . . 4195 1 42 . 1 1 6 6 THR HG22 H 1 1.02 0.01 . 1 . . . . . . . . 4195 1 43 . 1 1 6 6 THR HG23 H 1 1.02 0.01 . 1 . . . . . . . . 4195 1 44 . 1 1 7 7 ALA H H 1 9.10 0.01 . 1 . . . . . . . . 4195 1 45 . 1 1 7 7 ALA HA H 1 4.45 0.01 . 1 . . . . . . . . 4195 1 46 . 1 1 7 7 ALA HB1 H 1 1.55 0.01 . 1 . . . . . . . . 4195 1 47 . 1 1 7 7 ALA HB2 H 1 1.55 0.01 . 1 . . . . . . . . 4195 1 48 . 1 1 7 7 ALA HB3 H 1 1.55 0.01 . 1 . . . . . . . . 4195 1 49 . 1 1 8 8 THR H H 1 7.13 0.01 . 1 . . . . . . . . 4195 1 50 . 1 1 8 8 THR HA H 1 4.59 0.01 . 1 . . . . . . . . 4195 1 51 . 1 1 8 8 THR HB H 1 4.34 0.01 . 1 . . . . . . . . 4195 1 52 . 1 1 8 8 THR HG21 H 1 1.04 0.01 . 1 . . . . . . . . 4195 1 53 . 1 1 8 8 THR HG22 H 1 1.04 0.01 . 1 . . . . . . . . 4195 1 54 . 1 1 8 8 THR HG23 H 1 1.04 0.01 . 1 . . . . . . . . 4195 1 55 . 1 1 9 9 SER H H 1 8.57 0.01 . 1 . . . . . . . . 4195 1 56 . 1 1 9 9 SER HA H 1 4.78 0.01 . 1 . . . . . . . . 4195 1 57 . 1 1 9 9 SER HB2 H 1 3.72 0.01 . 2 . . . . . . . . 4195 1 58 . 1 1 9 9 SER HB3 H 1 3.80 0.01 . 2 . . . . . . . . 4195 1 59 . 1 1 10 10 PRO HA H 1 5.06 0.01 . 1 . . . . . . . . 4195 1 60 . 1 1 10 10 PRO HB2 H 1 2.23 0.01 . 2 . . . . . . . . 4195 1 61 . 1 1 10 10 PRO HB3 H 1 2.58 0.01 . 2 . . . . . . . . 4195 1 62 . 1 1 10 10 PRO HG2 H 1 1.77 0.01 . 2 . . . . . . . . 4195 1 63 . 1 1 10 10 PRO HG3 H 1 1.96 0.01 . 2 . . . . . . . . 4195 1 64 . 1 1 10 10 PRO HD2 H 1 3.54 0.01 . 2 . . . . . . . . 4195 1 65 . 1 1 10 10 PRO HD3 H 1 3.64 0.01 . 2 . . . . . . . . 4195 1 66 . 1 1 11 11 ILE H H 1 8.73 0.01 . 1 . . . . . . . . 4195 1 67 . 1 1 11 11 ILE HA H 1 3.82 0.01 . 1 . . . . . . . . 4195 1 68 . 1 1 11 11 ILE HB H 1 1.44 0.01 . 1 . . . . . . . . 4195 1 69 . 1 1 11 11 ILE HG12 H 1 0.86 0.01 . 1 . . . . . . . . 4195 1 70 . 1 1 11 11 ILE HG13 H 1 0.86 0.01 . 1 . . . . . . . . 4195 1 71 . 1 1 11 11 ILE HG21 H 1 0.33 0.01 . 1 . . . . . . . . 4195 1 72 . 1 1 11 11 ILE HG22 H 1 0.33 0.01 . 1 . . . . . . . . 4195 1 73 . 1 1 11 11 ILE HG23 H 1 0.33 0.01 . 1 . . . . . . . . 4195 1 74 . 1 1 11 11 ILE HD11 H 1 0.26 0.01 . 1 . . . . . . . . 4195 1 75 . 1 1 11 11 ILE HD12 H 1 0.26 0.01 . 1 . . . . . . . . 4195 1 76 . 1 1 11 11 ILE HD13 H 1 0.26 0.01 . 1 . . . . . . . . 4195 1 77 . 1 1 12 12 SER H H 1 7.56 0.01 . 1 . . . . . . . . 4195 1 78 . 1 1 12 12 SER HA H 1 4.90 0.01 . 1 . . . . . . . . 4195 1 79 . 1 1 12 12 SER HB2 H 1 3.77 0.01 . 2 . . . . . . . . 4195 1 80 . 1 1 12 12 SER HB3 H 1 3.82 0.01 . 2 . . . . . . . . 4195 1 81 . 1 1 13 13 ALA H H 1 8.20 0.01 . 1 . . . . . . . . 4195 1 82 . 1 1 13 13 ALA HA H 1 5.08 0.01 . 1 . . . . . . . . 4195 1 83 . 1 1 13 13 ALA HB1 H 1 0.85 0.01 . 1 . . . . . . . . 4195 1 84 . 1 1 13 13 ALA HB2 H 1 0.85 0.01 . 1 . . . . . . . . 4195 1 85 . 1 1 13 13 ALA HB3 H 1 0.85 0.01 . 1 . . . . . . . . 4195 1 86 . 1 1 14 14 VAL H H 1 8.89 0.01 . 1 . . . . . . . . 4195 1 87 . 1 1 14 14 VAL HA H 1 4.62 0.01 . 1 . . . . . . . . 4195 1 88 . 1 1 14 14 VAL HB H 1 2.06 0.01 . 1 . . . . . . . . 4195 1 89 . 1 1 14 14 VAL HG11 H 1 0.82 0.01 . 1 . . . . . . . . 4195 1 90 . 1 1 14 14 VAL HG12 H 1 0.82 0.01 . 1 . . . . . . . . 4195 1 91 . 1 1 14 14 VAL HG13 H 1 0.82 0.01 . 1 . . . . . . . . 4195 1 92 . 1 1 14 14 VAL HG21 H 1 0.85 0.01 . 1 . . . . . . . . 4195 1 93 . 1 1 14 14 VAL HG22 H 1 0.85 0.01 . 1 . . . . . . . . 4195 1 94 . 1 1 14 14 VAL HG23 H 1 0.85 0.01 . 1 . . . . . . . . 4195 1 95 . 1 1 15 15 THR H H 1 8.49 0.01 . 1 . . . . . . . . 4195 1 96 . 1 1 15 15 THR HA H 1 4.42 0.01 . 1 . . . . . . . . 4195 1 97 . 1 1 15 15 THR HB H 1 3.99 0.01 . 1 . . . . . . . . 4195 1 98 . 1 1 15 15 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 4195 1 99 . 1 1 15 15 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 4195 1 100 . 1 1 15 15 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 4195 1 101 . 1 1 16 16 CYS H H 1 8.85 0.01 . 1 . . . . . . . . 4195 1 102 . 1 1 16 16 CYS HA H 1 4.84 0.01 . 1 . . . . . . . . 4195 1 103 . 1 1 16 16 CYS HB2 H 1 2.97 0.01 . 1 . . . . . . . . 4195 1 104 . 1 1 16 16 CYS HB3 H 1 3.34 0.01 . 1 . . . . . . . . 4195 1 105 . 1 1 17 17 PRO HA H 1 4.69 0.01 . 1 . . . . . . . . 4195 1 106 . 1 1 17 17 PRO HB2 H 1 1.77 0.01 . 2 . . . . . . . . 4195 1 107 . 1 1 17 17 PRO HB3 H 1 2.40 0.01 . 2 . . . . . . . . 4195 1 108 . 1 1 17 17 PRO HD2 H 1 3.74 0.01 . 2 . . . . . . . . 4195 1 109 . 1 1 17 17 PRO HD3 H 1 3.89 0.01 . 2 . . . . . . . . 4195 1 110 . 1 1 18 18 PRO HA H 1 4.28 0.01 . 1 . . . . . . . . 4195 1 111 . 1 1 18 18 PRO HB2 H 1 2.00 0.01 . 1 . . . . . . . . 4195 1 112 . 1 1 18 18 PRO HB3 H 1 2.00 0.01 . 1 . . . . . . . . 4195 1 113 . 1 1 18 18 PRO HG2 H 1 1.86 0.01 . 1 . . . . . . . . 4195 1 114 . 1 1 18 18 PRO HG3 H 1 1.86 0.01 . 1 . . . . . . . . 4195 1 115 . 1 1 18 18 PRO HD2 H 1 3.58 0.01 . 2 . . . . . . . . 4195 1 116 . 1 1 18 18 PRO HD3 H 1 3.87 0.01 . 2 . . . . . . . . 4195 1 117 . 1 1 19 19 GLY H H 1 8.75 0.01 . 1 . . . . . . . . 4195 1 118 . 1 1 19 19 GLY HA2 H 1 3.65 0.01 . 2 . . . . . . . . 4195 1 119 . 1 1 19 19 GLY HA3 H 1 4.26 0.01 . 2 . . . . . . . . 4195 1 120 . 1 1 20 20 GLU H H 1 7.88 0.01 . 1 . . . . . . . . 4195 1 121 . 1 1 20 20 GLU HA H 1 4.23 0.01 . 1 . . . . . . . . 4195 1 122 . 1 1 20 20 GLU HB2 H 1 2.10 0.01 . 1 . . . . . . . . 4195 1 123 . 1 1 20 20 GLU HB3 H 1 2.10 0.01 . 1 . . . . . . . . 4195 1 124 . 1 1 20 20 GLU HG2 H 1 1.84 0.01 . 2 . . . . . . . . 4195 1 125 . 1 1 20 20 GLU HG3 H 1 1.61 0.01 . 2 . . . . . . . . 4195 1 126 . 1 1 21 21 ASN H H 1 7.80 0.01 . 1 . . . . . . . . 4195 1 127 . 1 1 21 21 ASN HA H 1 4.96 0.01 . 1 . . . . . . . . 4195 1 128 . 1 1 21 21 ASN HB2 H 1 2.65 0.01 . 1 . . . . . . . . 4195 1 129 . 1 1 21 21 ASN HB3 H 1 2.98 0.01 . 1 . . . . . . . . 4195 1 130 . 1 1 21 21 ASN HD21 H 1 6.97 0.01 . 2 . . . . . . . . 4195 1 131 . 1 1 21 21 ASN HD22 H 1 7.50 0.01 . 2 . . . . . . . . 4195 1 132 . 1 1 22 22 LEU H H 1 8.33 0.01 . 1 . . . . . . . . 4195 1 133 . 1 1 22 22 LEU HA H 1 4.97 0.01 . 1 . . . . . . . . 4195 1 134 . 1 1 22 22 LEU HB2 H 1 1.70 0.01 . 1 . . . . . . . . 4195 1 135 . 1 1 22 22 LEU HB3 H 1 1.47 0.01 . 1 . . . . . . . . 4195 1 136 . 1 1 22 22 LEU HG H 1 1.57 0.01 . 1 . . . . . . . . 4195 1 137 . 1 1 22 22 LEU HD11 H 1 0.70 0.01 . 2 . . . . . . . . 4195 1 138 . 1 1 22 22 LEU HD12 H 1 0.70 0.01 . 2 . . . . . . . . 4195 1 139 . 1 1 22 22 LEU HD13 H 1 0.70 0.01 . 2 . . . . . . . . 4195 1 140 . 1 1 22 22 LEU HD21 H 1 0.77 0.01 . 2 . . . . . . . . 4195 1 141 . 1 1 22 22 LEU HD22 H 1 0.77 0.01 . 2 . . . . . . . . 4195 1 142 . 1 1 22 22 LEU HD23 H 1 0.77 0.01 . 2 . . . . . . . . 4195 1 143 . 1 1 23 23 CYS H H 1 8.73 0.01 . 1 . . . . . . . . 4195 1 144 . 1 1 23 23 CYS HA H 1 5.92 0.01 . 1 . . . . . . . . 4195 1 145 . 1 1 23 23 CYS HB2 H 1 2.81 0.01 . 1 . . . . . . . . 4195 1 146 . 1 1 23 23 CYS HB3 H 1 3.22 0.01 . 1 . . . . . . . . 4195 1 147 . 1 1 24 24 TYR H H 1 8.99 0.01 . 1 . . . . . . . . 4195 1 148 . 1 1 24 24 TYR HA H 1 5.96 0.01 . 1 . . . . . . . . 4195 1 149 . 1 1 24 24 TYR HB2 H 1 2.66 0.01 . 1 . . . . . . . . 4195 1 150 . 1 1 24 24 TYR HB3 H 1 2.97 0.01 . 1 . . . . . . . . 4195 1 151 . 1 1 24 24 TYR HD1 H 1 6.64 0.01 . 1 . . . . . . . . 4195 1 152 . 1 1 24 24 TYR HD2 H 1 6.64 0.01 . 1 . . . . . . . . 4195 1 153 . 1 1 24 24 TYR HE1 H 1 6.76 0.01 . 1 . . . . . . . . 4195 1 154 . 1 1 24 24 TYR HE2 H 1 6.76 0.01 . 1 . . . . . . . . 4195 1 155 . 1 1 25 25 ARG H H 1 9.01 0.01 . 1 . . . . . . . . 4195 1 156 . 1 1 25 25 ARG HA H 1 5.27 0.01 . 1 . . . . . . . . 4195 1 157 . 1 1 25 25 ARG HB2 H 1 1.88 0.01 . 1 . . . . . . . . 4195 1 158 . 1 1 25 25 ARG HB3 H 1 1.30 0.01 . 1 . . . . . . . . 4195 1 159 . 1 1 25 25 ARG HG2 H 1 1.51 0.01 . 2 . . . . . . . . 4195 1 160 . 1 1 25 25 ARG HG3 H 1 1.46 0.01 . 2 . . . . . . . . 4195 1 161 . 1 1 25 25 ARG HD2 H 1 3.02 0.01 . 1 . . . . . . . . 4195 1 162 . 1 1 25 25 ARG HD3 H 1 3.02 0.01 . 1 . . . . . . . . 4195 1 163 . 1 1 25 25 ARG HE H 1 7.00 0.01 . 1 . . . . . . . . 4195 1 164 . 1 1 26 26 LYS H H 1 9.96 0.01 . 1 . . . . . . . . 4195 1 165 . 1 1 26 26 LYS HA H 1 5.80 0.01 . 1 . . . . . . . . 4195 1 166 . 1 1 26 26 LYS HB2 H 1 2.10 0.01 . 1 . . . . . . . . 4195 1 167 . 1 1 26 26 LYS HB3 H 1 1.87 0.01 . 1 . . . . . . . . 4195 1 168 . 1 1 26 26 LYS HG2 H 1 1.57 0.01 . 1 . . . . . . . . 4195 1 169 . 1 1 26 26 LYS HG3 H 1 1.57 0.01 . 1 . . . . . . . . 4195 1 170 . 1 1 26 26 LYS HE2 H 1 2.52 0.01 . 1 . . . . . . . . 4195 1 171 . 1 1 26 26 LYS HE3 H 1 2.52 0.01 . 1 . . . . . . . . 4195 1 172 . 1 1 27 27 MET H H 1 9.20 0.01 . 1 . . . . . . . . 4195 1 173 . 1 1 27 27 MET HA H 1 6.22 0.01 . 1 . . . . . . . . 4195 1 174 . 1 1 27 27 MET HB2 H 1 1.92 0.01 . 1 . . . . . . . . 4195 1 175 . 1 1 27 27 MET HB3 H 1 2.03 0.01 . 1 . . . . . . . . 4195 1 176 . 1 1 27 27 MET HG2 H 1 2.40 0.01 . 2 . . . . . . . . 4195 1 177 . 1 1 27 27 MET HG3 H 1 2.73 0.01 . 2 . . . . . . . . 4195 1 178 . 1 1 27 27 MET HE1 H 1 1.97 0.01 . 1 . . . . . . . . 4195 1 179 . 1 1 27 27 MET HE2 H 1 1.97 0.01 . 1 . . . . . . . . 4195 1 180 . 1 1 27 27 MET HE3 H 1 1.97 0.01 . 1 . . . . . . . . 4195 1 181 . 1 1 28 28 TRP H H 1 7.97 0.01 . 1 . . . . . . . . 4195 1 182 . 1 1 28 28 TRP HA H 1 5.13 0.01 . 1 . . . . . . . . 4195 1 183 . 1 1 28 28 TRP HB2 H 1 3.74 0.01 . 1 . . . . . . . . 4195 1 184 . 1 1 28 28 TRP HB3 H 1 3.45 0.01 . 1 . . . . . . . . 4195 1 185 . 1 1 28 28 TRP HD1 H 1 6.97 0.01 . 1 . . . . . . . . 4195 1 186 . 1 1 28 28 TRP HE1 H 1 10.58 0.01 . 1 . . . . . . . . 4195 1 187 . 1 1 28 28 TRP HE3 H 1 7.49 0.01 . 1 . . . . . . . . 4195 1 188 . 1 1 28 28 TRP HZ2 H 1 7.28 0.01 . 1 . . . . . . . . 4195 1 189 . 1 1 28 28 TRP HZ3 H 1 7.15 0.01 . 1 . . . . . . . . 4195 1 190 . 1 1 28 28 TRP HH2 H 1 6.91 0.01 . 1 . . . . . . . . 4195 1 191 . 1 1 29 29 CYS H H 1 9.58 0.01 . 1 . . . . . . . . 4195 1 192 . 1 1 29 29 CYS HA H 1 5.36 0.01 . 1 . . . . . . . . 4195 1 193 . 1 1 29 29 CYS HB2 H 1 3.06 0.01 . 2 . . . . . . . . 4195 1 194 . 1 1 29 29 CYS HB3 H 1 3.42 0.01 . 2 . . . . . . . . 4195 1 195 . 1 1 30 30 ASP H H 1 9.44 0.01 . 1 . . . . . . . . 4195 1 196 . 1 1 30 30 ASP HA H 1 4.97 0.01 . 1 . . . . . . . . 4195 1 197 . 1 1 30 30 ASP HB2 H 1 2.64 0.01 . 2 . . . . . . . . 4195 1 198 . 1 1 30 30 ASP HB3 H 1 3.53 0.01 . 2 . . . . . . . . 4195 1 199 . 1 1 31 31 ALA H H 1 8.12 0.01 . 1 . . . . . . . . 4195 1 200 . 1 1 31 31 ALA HA H 1 4.05 0.01 . 1 . . . . . . . . 4195 1 201 . 1 1 31 31 ALA HB1 H 1 1.02 0.01 . 1 . . . . . . . . 4195 1 202 . 1 1 31 31 ALA HB2 H 1 1.02 0.01 . 1 . . . . . . . . 4195 1 203 . 1 1 31 31 ALA HB3 H 1 1.02 0.01 . 1 . . . . . . . . 4195 1 204 . 1 1 32 32 PHE H H 1 8.81 0.01 . 1 . . . . . . . . 4195 1 205 . 1 1 32 32 PHE HA H 1 4.74 0.01 . 1 . . . . . . . . 4195 1 206 . 1 1 32 32 PHE HB2 H 1 2.74 0.01 . 1 . . . . . . . . 4195 1 207 . 1 1 32 32 PHE HB3 H 1 2.97 0.01 . 1 . . . . . . . . 4195 1 208 . 1 1 32 32 PHE HD1 H 1 7.29 0.01 . 1 . . . . . . . . 4195 1 209 . 1 1 32 32 PHE HD2 H 1 7.29 0.01 . 1 . . . . . . . . 4195 1 210 . 1 1 32 32 PHE HE1 H 1 7.35 0.01 . 1 . . . . . . . . 4195 1 211 . 1 1 32 32 PHE HE2 H 1 7.35 0.01 . 1 . . . . . . . . 4195 1 212 . 1 1 32 32 PHE HZ H 1 7.3 0.01 . 1 . . . . . . . . 4195 1 213 . 1 1 33 33 CYS HA H 1 5.23 0.01 . 1 . . . . . . . . 4195 1 214 . 1 1 33 33 CYS HB2 H 1 3.43 0.01 . 2 . . . . . . . . 4195 1 215 . 1 1 33 33 CYS HB3 H 1 3.70 0.01 . 2 . . . . . . . . 4195 1 216 . 1 1 34 34 SER H H 1 7.66 0.01 . 1 . . . . . . . . 4195 1 217 . 1 1 34 34 SER HA H 1 4.77 0.01 . 1 . . . . . . . . 4195 1 218 . 1 1 34 34 SER HB2 H 1 3.89 0.01 . 1 . . . . . . . . 4195 1 219 . 1 1 34 34 SER HB3 H 1 3.89 0.01 . 1 . . . . . . . . 4195 1 220 . 1 1 35 35 SER H H 1 7.62 0.01 . 1 . . . . . . . . 4195 1 221 . 1 1 35 35 SER HA H 1 4.78 0.01 . 1 . . . . . . . . 4195 1 222 . 1 1 35 35 SER HB2 H 1 3.89 0.01 . 1 . . . . . . . . 4195 1 223 . 1 1 35 35 SER HB3 H 1 3.89 0.01 . 1 . . . . . . . . 4195 1 224 . 1 1 36 36 ARG H H 1 8.35 0.01 . 1 . . . . . . . . 4195 1 225 . 1 1 36 36 ARG HA H 1 4.32 0.01 . 1 . . . . . . . . 4195 1 226 . 1 1 36 36 ARG HB2 H 1 0.94 0.01 . 1 . . . . . . . . 4195 1 227 . 1 1 36 36 ARG HB3 H 1 1.34 0.01 . 1 . . . . . . . . 4195 1 228 . 1 1 36 36 ARG HG2 H 1 1.15 0.01 . 1 . . . . . . . . 4195 1 229 . 1 1 36 36 ARG HG3 H 1 1.15 0.01 . 1 . . . . . . . . 4195 1 230 . 1 1 36 36 ARG HD2 H 1 2.99 0.01 . 1 . . . . . . . . 4195 1 231 . 1 1 36 36 ARG HD3 H 1 2.99 0.01 . 1 . . . . . . . . 4195 1 232 . 1 1 37 37 GLY H H 1 7.50 0.01 . 1 . . . . . . . . 4195 1 233 . 1 1 37 37 GLY HA2 H 1 4.51 0.01 . 2 . . . . . . . . 4195 1 234 . 1 1 37 37 GLY HA3 H 1 3.93 0.01 . 2 . . . . . . . . 4195 1 235 . 1 1 38 38 LYS H H 1 9.74 0.01 . 1 . . . . . . . . 4195 1 236 . 1 1 38 38 LYS HA H 1 4.23 0.01 . 1 . . . . . . . . 4195 1 237 . 1 1 38 38 LYS HB2 H 1 1.51 0.01 . 1 . . . . . . . . 4195 1 238 . 1 1 38 38 LYS HB3 H 1 1.74 0.01 . 1 . . . . . . . . 4195 1 239 . 1 1 38 38 LYS HG2 H 1 1.43 0.01 . 1 . . . . . . . . 4195 1 240 . 1 1 38 38 LYS HG3 H 1 1.43 0.01 . 1 . . . . . . . . 4195 1 241 . 1 1 38 38 LYS HD2 H 1 1.24 0.01 . 1 . . . . . . . . 4195 1 242 . 1 1 38 38 LYS HD3 H 1 1.24 0.01 . 1 . . . . . . . . 4195 1 243 . 1 1 38 38 LYS HE2 H 1 3.08 0.01 . 1 . . . . . . . . 4195 1 244 . 1 1 38 38 LYS HE3 H 1 3.08 0.01 . 1 . . . . . . . . 4195 1 245 . 1 1 39 39 VAL H H 1 8.62 0.01 . 1 . . . . . . . . 4195 1 246 . 1 1 39 39 VAL HA H 1 3.51 0.01 . 1 . . . . . . . . 4195 1 247 . 1 1 39 39 VAL HB H 1 0.15 0.01 . 1 . . . . . . . . 4195 1 248 . 1 1 39 39 VAL HG11 H 1 0.31 0.01 . 2 . . . . . . . . 4195 1 249 . 1 1 39 39 VAL HG12 H 1 0.31 0.01 . 2 . . . . . . . . 4195 1 250 . 1 1 39 39 VAL HG13 H 1 0.31 0.01 . 2 . . . . . . . . 4195 1 251 . 1 1 39 39 VAL HG21 H 1 0.28 0.01 . 2 . . . . . . . . 4195 1 252 . 1 1 39 39 VAL HG22 H 1 0.28 0.01 . 2 . . . . . . . . 4195 1 253 . 1 1 39 39 VAL HG23 H 1 0.28 0.01 . 2 . . . . . . . . 4195 1 254 . 1 1 40 40 VAL H H 1 8.08 0.01 . 1 . . . . . . . . 4195 1 255 . 1 1 40 40 VAL HA H 1 4.41 0.01 . 1 . . . . . . . . 4195 1 256 . 1 1 40 40 VAL HB H 1 1.44 0.01 . 1 . . . . . . . . 4195 1 257 . 1 1 40 40 VAL HG11 H 1 0.55 0.01 . 1 . . . . . . . . 4195 1 258 . 1 1 40 40 VAL HG12 H 1 0.55 0.01 . 1 . . . . . . . . 4195 1 259 . 1 1 40 40 VAL HG13 H 1 0.55 0.01 . 1 . . . . . . . . 4195 1 260 . 1 1 40 40 VAL HG21 H 1 0.47 0.01 . 1 . . . . . . . . 4195 1 261 . 1 1 40 40 VAL HG22 H 1 0.47 0.01 . 1 . . . . . . . . 4195 1 262 . 1 1 40 40 VAL HG23 H 1 0.47 0.01 . 1 . . . . . . . . 4195 1 263 . 1 1 41 41 GLU H H 1 9.25 0.01 . 1 . . . . . . . . 4195 1 264 . 1 1 41 41 GLU HA H 1 5.00 0.01 . 1 . . . . . . . . 4195 1 265 . 1 1 41 41 GLU HB2 H 1 2.28 0.01 . 1 . . . . . . . . 4195 1 266 . 1 1 41 41 GLU HB3 H 1 2.50 0.01 . 1 . . . . . . . . 4195 1 267 . 1 1 42 42 LEU H H 1 8.83 0.01 . 1 . . . . . . . . 4195 1 268 . 1 1 42 42 LEU HA H 1 5.09 0.01 . 1 . . . . . . . . 4195 1 269 . 1 1 42 42 LEU HB2 H 1 1.45 0.01 . 1 . . . . . . . . 4195 1 270 . 1 1 42 42 LEU HB3 H 1 1.45 0.01 . 1 . . . . . . . . 4195 1 271 . 1 1 42 42 LEU HG H 1 1.52 0.01 . 1 . . . . . . . . 4195 1 272 . 1 1 42 42 LEU HD11 H 1 0.74 0.01 . 2 . . . . . . . . 4195 1 273 . 1 1 42 42 LEU HD12 H 1 0.74 0.01 . 2 . . . . . . . . 4195 1 274 . 1 1 42 42 LEU HD13 H 1 0.74 0.01 . 2 . . . . . . . . 4195 1 275 . 1 1 42 42 LEU HD21 H 1 0.83 0.01 . 2 . . . . . . . . 4195 1 276 . 1 1 42 42 LEU HD22 H 1 0.83 0.01 . 2 . . . . . . . . 4195 1 277 . 1 1 42 42 LEU HD23 H 1 0.83 0.01 . 2 . . . . . . . . 4195 1 278 . 1 1 43 43 GLY H H 1 6.68 0.01 . 1 . . . . . . . . 4195 1 279 . 1 1 43 43 GLY HA2 H 1 4.29 0.01 . 2 . . . . . . . . 4195 1 280 . 1 1 43 43 GLY HA3 H 1 3.97 0.01 . 2 . . . . . . . . 4195 1 281 . 1 1 44 44 CYS H H 1 8.47 0.01 . 1 . . . . . . . . 4195 1 282 . 1 1 44 44 CYS HA H 1 5.56 0.01 . 1 . . . . . . . . 4195 1 283 . 1 1 44 44 CYS HB2 H 1 3.34 0.01 . 1 . . . . . . . . 4195 1 284 . 1 1 44 44 CYS HB3 H 1 3.17 0.01 . 1 . . . . . . . . 4195 1 285 . 1 1 45 45 ALA H H 1 9.29 0.01 . 1 . . . . . . . . 4195 1 286 . 1 1 45 45 ALA HA H 1 4.52 0.01 . 1 . . . . . . . . 4195 1 287 . 1 1 45 45 ALA HB1 H 1 1.38 0.01 . 1 . . . . . . . . 4195 1 288 . 1 1 45 45 ALA HB2 H 1 1.38 0.01 . 1 . . . . . . . . 4195 1 289 . 1 1 45 45 ALA HB3 H 1 1.38 0.01 . 1 . . . . . . . . 4195 1 290 . 1 1 46 46 ALA H H 1 8.75 0.01 . 1 . . . . . . . . 4195 1 291 . 1 1 46 46 ALA HA H 1 4.81 0.01 . 1 . . . . . . . . 4195 1 292 . 1 1 46 46 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 4195 1 293 . 1 1 46 46 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 4195 1 294 . 1 1 46 46 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 4195 1 295 . 1 1 47 47 THR H H 1 7.40 0.01 . 1 . . . . . . . . 4195 1 296 . 1 1 47 47 THR HA H 1 4.30 0.01 . 1 . . . . . . . . 4195 1 297 . 1 1 47 47 THR HB H 1 3.93 0.01 . 1 . . . . . . . . 4195 1 298 . 1 1 47 47 THR HG21 H 1 1.11 0.01 . 1 . . . . . . . . 4195 1 299 . 1 1 47 47 THR HG22 H 1 1.11 0.01 . 1 . . . . . . . . 4195 1 300 . 1 1 47 47 THR HG23 H 1 1.11 0.01 . 1 . . . . . . . . 4195 1 301 . 1 1 48 48 CYS H H 1 9.02 0.01 . 1 . . . . . . . . 4195 1 302 . 1 1 48 48 CYS HA H 1 4.54 0.01 . 1 . . . . . . . . 4195 1 303 . 1 1 48 48 CYS HB2 H 1 2.91 0.01 . 2 . . . . . . . . 4195 1 304 . 1 1 48 48 CYS HB3 H 1 3.15 0.01 . 2 . . . . . . . . 4195 1 305 . 1 1 49 49 PRO HA H 1 4.09 0.01 . 1 . . . . . . . . 4195 1 306 . 1 1 49 49 PRO HB2 H 1 1.53 0.01 . 2 . . . . . . . . 4195 1 307 . 1 1 49 49 PRO HB3 H 1 2.07 0.01 . 2 . . . . . . . . 4195 1 308 . 1 1 49 49 PRO HG2 H 1 1.38 0.01 . 2 . . . . . . . . 4195 1 309 . 1 1 49 49 PRO HG3 H 1 0.97 0.01 . 2 . . . . . . . . 4195 1 310 . 1 1 49 49 PRO HD2 H 1 3.15 0.01 . 2 . . . . . . . . 4195 1 311 . 1 1 49 49 PRO HD3 H 1 3.55 0.01 . 2 . . . . . . . . 4195 1 312 . 1 1 50 50 SER H H 1 8.07 0.01 . 1 . . . . . . . . 4195 1 313 . 1 1 50 50 SER HA H 1 4.16 0.01 . 1 . . . . . . . . 4195 1 314 . 1 1 50 50 SER HB2 H 1 3.78 0.01 . 2 . . . . . . . . 4195 1 315 . 1 1 50 50 SER HB3 H 1 3.73 0.01 . 2 . . . . . . . . 4195 1 316 . 1 1 51 51 LYS H H 1 8.30 0.01 . 1 . . . . . . . . 4195 1 317 . 1 1 51 51 LYS HA H 1 4.38 0.01 . 1 . . . . . . . . 4195 1 318 . 1 1 51 51 LYS HB2 H 1 1.67 0.01 . 2 . . . . . . . . 4195 1 319 . 1 1 51 51 LYS HB3 H 1 1.84 0.01 . 2 . . . . . . . . 4195 1 320 . 1 1 51 51 LYS HG2 H 1 1.47 0.01 . 1 . . . . . . . . 4195 1 321 . 1 1 51 51 LYS HG3 H 1 1.47 0.01 . 1 . . . . . . . . 4195 1 322 . 1 1 51 51 LYS HD2 H 1 1.29 0.01 . 1 . . . . . . . . 4195 1 323 . 1 1 51 51 LYS HD3 H 1 1.29 0.01 . 1 . . . . . . . . 4195 1 324 . 1 1 51 51 LYS HE2 H 1 3.11 0.01 . 1 . . . . . . . . 4195 1 325 . 1 1 51 51 LYS HE3 H 1 3.11 0.01 . 1 . . . . . . . . 4195 1 326 . 1 1 52 52 LYS H H 1 8.69 0.01 . 1 . . . . . . . . 4195 1 327 . 1 1 52 52 LYS HA H 1 4.49 0.01 . 1 . . . . . . . . 4195 1 328 . 1 1 52 52 LYS HB2 H 1 0.85 0.01 . 1 . . . . . . . . 4195 1 329 . 1 1 52 52 LYS HB3 H 1 0.74 0.01 . 1 . . . . . . . . 4195 1 330 . 1 1 52 52 LYS HG2 H 1 1.47 0.01 . 1 . . . . . . . . 4195 1 331 . 1 1 52 52 LYS HG3 H 1 1.47 0.01 . 1 . . . . . . . . 4195 1 332 . 1 1 52 52 LYS HD2 H 1 1.32 0.01 . 1 . . . . . . . . 4195 1 333 . 1 1 52 52 LYS HD3 H 1 1.32 0.01 . 1 . . . . . . . . 4195 1 334 . 1 1 52 52 LYS HE2 H 1 2.85 0.01 . 1 . . . . . . . . 4195 1 335 . 1 1 52 52 LYS HE3 H 1 2.85 0.01 . 1 . . . . . . . . 4195 1 336 . 1 1 53 53 PRO HA H 1 4.18 0.01 . 1 . . . . . . . . 4195 1 337 . 1 1 53 53 PRO HB2 H 1 1.77 0.01 . 2 . . . . . . . . 4195 1 338 . 1 1 53 53 PRO HB3 H 1 2.23 0.01 . 2 . . . . . . . . 4195 1 339 . 1 1 53 53 PRO HG2 H 1 1.96 0.01 . 1 . . . . . . . . 4195 1 340 . 1 1 53 53 PRO HG3 H 1 1.96 0.01 . 1 . . . . . . . . 4195 1 341 . 1 1 53 53 PRO HD2 H 1 3.53 0.01 . 2 . . . . . . . . 4195 1 342 . 1 1 53 53 PRO HD3 H 1 3.77 0.01 . 2 . . . . . . . . 4195 1 343 . 1 1 54 54 TYR H H 1 7.07 0.01 . 1 . . . . . . . . 4195 1 344 . 1 1 54 54 TYR HA H 1 4.62 0.01 . 1 . . . . . . . . 4195 1 345 . 1 1 54 54 TYR HB2 H 1 3.14 0.01 . 2 . . . . . . . . 4195 1 346 . 1 1 54 54 TYR HB3 H 1 3.50 0.01 . 2 . . . . . . . . 4195 1 347 . 1 1 54 54 TYR HD1 H 1 6.78 0.01 . 1 . . . . . . . . 4195 1 348 . 1 1 54 54 TYR HD2 H 1 6.78 0.01 . 1 . . . . . . . . 4195 1 349 . 1 1 54 54 TYR HE1 H 1 7.12 0.01 . 1 . . . . . . . . 4195 1 350 . 1 1 54 54 TYR HE2 H 1 7.12 0.01 . 1 . . . . . . . . 4195 1 351 . 1 1 55 55 GLU H H 1 7.67 0.01 . 1 . . . . . . . . 4195 1 352 . 1 1 55 55 GLU HA H 1 5.06 0.01 . 1 . . . . . . . . 4195 1 353 . 1 1 55 55 GLU HB2 H 1 2.09 0.01 . 2 . . . . . . . . 4195 1 354 . 1 1 55 55 GLU HB3 H 1 1.91 0.01 . 2 . . . . . . . . 4195 1 355 . 1 1 55 55 GLU HG2 H 1 1.83 0.01 . 1 . . . . . . . . 4195 1 356 . 1 1 55 55 GLU HG3 H 1 1.83 0.01 . 1 . . . . . . . . 4195 1 357 . 1 1 56 56 GLU H H 1 8.88 0.01 . 1 . . . . . . . . 4195 1 358 . 1 1 56 56 GLU HA H 1 4.78 0.01 . 1 . . . . . . . . 4195 1 359 . 1 1 56 56 GLU HB2 H 1 2.10 0.01 . 2 . . . . . . . . 4195 1 360 . 1 1 56 56 GLU HB3 H 1 1.98 0.01 . 2 . . . . . . . . 4195 1 361 . 1 1 56 56 GLU HG2 H 1 2.26 0.01 . 1 . . . . . . . . 4195 1 362 . 1 1 56 56 GLU HG3 H 1 2.26 0.01 . 1 . . . . . . . . 4195 1 363 . 1 1 57 57 VAL H H 1 8.56 0.01 . 1 . . . . . . . . 4195 1 364 . 1 1 57 57 VAL HA H 1 5.25 0.01 . 1 . . . . . . . . 4195 1 365 . 1 1 57 57 VAL HB H 1 1.88 0.01 . 1 . . . . . . . . 4195 1 366 . 1 1 57 57 VAL HG11 H 1 0.87 0.01 . 2 . . . . . . . . 4195 1 367 . 1 1 57 57 VAL HG12 H 1 0.87 0.01 . 2 . . . . . . . . 4195 1 368 . 1 1 57 57 VAL HG13 H 1 0.87 0.01 . 2 . . . . . . . . 4195 1 369 . 1 1 57 57 VAL HG21 H 1 0.94 0.01 . 2 . . . . . . . . 4195 1 370 . 1 1 57 57 VAL HG22 H 1 0.94 0.01 . 2 . . . . . . . . 4195 1 371 . 1 1 57 57 VAL HG23 H 1 0.94 0.01 . 2 . . . . . . . . 4195 1 372 . 1 1 58 58 THR H H 1 9.13 0.01 . 1 . . . . . . . . 4195 1 373 . 1 1 58 58 THR HA H 1 4.76 0.01 . 1 . . . . . . . . 4195 1 374 . 1 1 58 58 THR HB H 1 3.99 0.01 . 1 . . . . . . . . 4195 1 375 . 1 1 58 58 THR HG21 H 1 1.21 0.01 . 1 . . . . . . . . 4195 1 376 . 1 1 58 58 THR HG22 H 1 1.21 0.01 . 1 . . . . . . . . 4195 1 377 . 1 1 58 58 THR HG23 H 1 1.21 0.01 . 1 . . . . . . . . 4195 1 378 . 1 1 59 59 CYS H H 1 9.19 0.01 . 1 . . . . . . . . 4195 1 379 . 1 1 59 59 CYS HA H 1 5.61 0.01 . 1 . . . . . . . . 4195 1 380 . 1 1 59 59 CYS HB2 H 1 2.98 0.01 . 1 . . . . . . . . 4195 1 381 . 1 1 59 59 CYS HB3 H 1 3.73 0.01 . 1 . . . . . . . . 4195 1 382 . 1 1 60 60 CYS H H 1 9.22 0.01 . 1 . . . . . . . . 4195 1 383 . 1 1 60 60 CYS HA H 1 5.11 0.01 . 1 . . . . . . . . 4195 1 384 . 1 1 60 60 CYS HB2 H 1 3.40 0.01 . 2 . . . . . . . . 4195 1 385 . 1 1 60 60 CYS HB3 H 1 3.57 0.01 . 2 . . . . . . . . 4195 1 386 . 1 1 61 61 SER H H 1 8.88 0.01 . 1 . . . . . . . . 4195 1 387 . 1 1 61 61 SER HA H 1 4.94 0.01 . 1 . . . . . . . . 4195 1 388 . 1 1 61 61 SER HB2 H 1 3.80 0.01 . 2 . . . . . . . . 4195 1 389 . 1 1 61 61 SER HB3 H 1 4.18 0.01 . 2 . . . . . . . . 4195 1 390 . 1 1 62 62 THR H H 1 7.51 0.01 . 1 . . . . . . . . 4195 1 391 . 1 1 62 62 THR HA H 1 4.75 0.01 . 1 . . . . . . . . 4195 1 392 . 1 1 62 62 THR HB H 1 4.26 0.01 . 1 . . . . . . . . 4195 1 393 . 1 1 62 62 THR HG21 H 1 1.19 0.01 . 1 . . . . . . . . 4195 1 394 . 1 1 62 62 THR HG22 H 1 1.19 0.01 . 1 . . . . . . . . 4195 1 395 . 1 1 62 62 THR HG23 H 1 1.19 0.01 . 1 . . . . . . . . 4195 1 396 . 1 1 63 63 ASP H H 1 8.30 0.01 . 1 . . . . . . . . 4195 1 397 . 1 1 63 63 ASP HA H 1 4.76 0.01 . 1 . . . . . . . . 4195 1 398 . 1 1 63 63 ASP HB2 H 1 2.50 0.01 . 1 . . . . . . . . 4195 1 399 . 1 1 63 63 ASP HB3 H 1 2.30 0.01 . 1 . . . . . . . . 4195 1 400 . 1 1 64 64 LYS H H 1 9.98 0.01 . 1 . . . . . . . . 4195 1 401 . 1 1 64 64 LYS HA H 1 3.12 0.01 . 1 . . . . . . . . 4195 1 402 . 1 1 64 64 LYS HB2 H 1 0.27 0.01 . 2 . . . . . . . . 4195 1 403 . 1 1 64 64 LYS HB3 H 1 0.98 0.01 . 2 . . . . . . . . 4195 1 404 . 1 1 64 64 LYS HG2 H 1 1.57 0.01 . 2 . . . . . . . . 4195 1 405 . 1 1 64 64 LYS HG3 H 1 1.49 0.01 . 2 . . . . . . . . 4195 1 406 . 1 1 64 64 LYS HD2 H 1 1.70 0.01 . 1 . . . . . . . . 4195 1 407 . 1 1 64 64 LYS HD3 H 1 1.70 0.01 . 1 . . . . . . . . 4195 1 408 . 1 1 64 64 LYS HE2 H 1 2.67 0.01 . 1 . . . . . . . . 4195 1 409 . 1 1 64 64 LYS HE3 H 1 2.67 0.01 . 1 . . . . . . . . 4195 1 410 . 1 1 64 64 LYS HZ1 H 1 7.62 0.01 . 1 . . . . . . . . 4195 1 411 . 1 1 64 64 LYS HZ2 H 1 7.62 0.01 . 1 . . . . . . . . 4195 1 412 . 1 1 64 64 LYS HZ3 H 1 7.62 0.01 . 1 . . . . . . . . 4195 1 413 . 1 1 65 65 CYS H H 1 7.63 0.01 . 1 . . . . . . . . 4195 1 414 . 1 1 65 65 CYS HA H 1 4.52 0.01 . 1 . . . . . . . . 4195 1 415 . 1 1 65 65 CYS HB2 H 1 3.74 0.01 . 1 . . . . . . . . 4195 1 416 . 1 1 65 65 CYS HB3 H 1 3.52 0.01 . 1 . . . . . . . . 4195 1 417 . 1 1 66 66 ASN H H 1 8.98 0.01 . 1 . . . . . . . . 4195 1 418 . 1 1 66 66 ASN HA H 1 4.94 0.01 . 1 . . . . . . . . 4195 1 419 . 1 1 66 66 ASN HB2 H 1 2.46 0.01 . 1 . . . . . . . . 4195 1 420 . 1 1 66 66 ASN HB3 H 1 1.99 0.01 . 1 . . . . . . . . 4195 1 421 . 1 1 66 66 ASN HD21 H 1 7.48 0.01 . 2 . . . . . . . . 4195 1 422 . 1 1 66 66 ASN HD22 H 1 7.79 0.01 . 2 . . . . . . . . 4195 1 423 . 1 1 67 67 PRO HA H 1 3.60 0.01 . 1 . . . . . . . . 4195 1 424 . 1 1 67 67 PRO HB2 H 1 1.55 0.01 . 1 . . . . . . . . 4195 1 425 . 1 1 67 67 PRO HB3 H 1 1.55 0.01 . 1 . . . . . . . . 4195 1 426 . 1 1 67 67 PRO HG2 H 1 1.62 0.01 . 2 . . . . . . . . 4195 1 427 . 1 1 67 67 PRO HG3 H 1 1.77 0.01 . 2 . . . . . . . . 4195 1 428 . 1 1 67 67 PRO HD2 H 1 3.37 0.01 . 2 . . . . . . . . 4195 1 429 . 1 1 67 67 PRO HD3 H 1 3.58 0.01 . 2 . . . . . . . . 4195 1 430 . 1 1 68 68 HIS H H 1 8.54 0.01 . 1 . . . . . . . . 4195 1 431 . 1 1 68 68 HIS HA H 1 3.96 0.01 . 1 . . . . . . . . 4195 1 432 . 1 1 68 68 HIS HB2 H 1 2.61 0.01 . 1 . . . . . . . . 4195 1 433 . 1 1 68 68 HIS HB3 H 1 2.61 0.01 . 1 . . . . . . . . 4195 1 434 . 1 1 68 68 HIS HD1 H 1 11.02 0.01 . 1 . . . . . . . . 4195 1 435 . 1 1 68 68 HIS HD2 H 1 6.32 0.01 . 1 . . . . . . . . 4195 1 436 . 1 1 68 68 HIS HE1 H 1 7.64 0.01 . 1 . . . . . . . . 4195 1 437 . 1 1 69 69 PRO HA H 1 4.30 0.01 . 1 . . . . . . . . 4195 1 438 . 1 1 69 69 PRO HD2 H 1 2.20 0.01 . 2 . . . . . . . . 4195 1 439 . 1 1 69 69 PRO HD3 H 1 3.14 0.01 . 2 . . . . . . . . 4195 1 440 . 1 1 70 70 LYS H H 1 11.19 0.01 . 1 . . . . . . . . 4195 1 441 . 1 1 70 70 LYS HA H 1 4.46 0.01 . 1 . . . . . . . . 4195 1 442 . 1 1 70 70 LYS HB2 H 1 1.76 0.01 . 1 . . . . . . . . 4195 1 443 . 1 1 70 70 LYS HB3 H 1 1.66 0.01 . 1 . . . . . . . . 4195 1 444 . 1 1 70 70 LYS HG2 H 1 1.52 0.01 . 1 . . . . . . . . 4195 1 445 . 1 1 70 70 LYS HG3 H 1 1.52 0.01 . 1 . . . . . . . . 4195 1 446 . 1 1 70 70 LYS HD2 H 1 2.08 0.01 . 1 . . . . . . . . 4195 1 447 . 1 1 70 70 LYS HD3 H 1 2.08 0.01 . 1 . . . . . . . . 4195 1 448 . 1 1 70 70 LYS HE2 H 1 3.11 0.01 . 1 . . . . . . . . 4195 1 449 . 1 1 70 70 LYS HE3 H 1 3.11 0.01 . 1 . . . . . . . . 4195 1 450 . 1 1 70 70 LYS HZ1 H 1 7.64 0.01 . 1 . . . . . . . . 4195 1 451 . 1 1 70 70 LYS HZ2 H 1 7.64 0.01 . 1 . . . . . . . . 4195 1 452 . 1 1 70 70 LYS HZ3 H 1 7.64 0.01 . 1 . . . . . . . . 4195 1 453 . 1 1 71 71 GLN H H 1 8.31 0.01 . 1 . . . . . . . . 4195 1 454 . 1 1 71 71 GLN HA H 1 4.26 0.01 . 1 . . . . . . . . 4195 1 455 . 1 1 71 71 GLN HB2 H 1 2.12 0.01 . 2 . . . . . . . . 4195 1 456 . 1 1 71 71 GLN HB3 H 1 2.25 0.01 . 2 . . . . . . . . 4195 1 457 . 1 1 71 71 GLN HG2 H 1 2.04 0.01 . 2 . . . . . . . . 4195 1 458 . 1 1 71 71 GLN HG3 H 1 2.49 0.01 . 2 . . . . . . . . 4195 1 459 . 1 1 71 71 GLN HE21 H 1 6.05 0.01 . 2 . . . . . . . . 4195 1 460 . 1 1 71 71 GLN HE22 H 1 7.37 0.01 . 2 . . . . . . . . 4195 1 461 . 1 1 72 72 ARG H H 1 8.18 0.01 . 1 . . . . . . . . 4195 1 462 . 1 1 72 72 ARG HA H 1 4.59 0.01 . 1 . . . . . . . . 4195 1 463 . 1 1 72 72 ARG HB2 H 1 1.66 0.01 . 2 . . . . . . . . 4195 1 464 . 1 1 72 72 ARG HB3 H 1 1.72 0.01 . 2 . . . . . . . . 4195 1 465 . 1 1 72 72 ARG HG2 H 1 1.87 0.01 . 1 . . . . . . . . 4195 1 466 . 1 1 72 72 ARG HG3 H 1 1.87 0.01 . 1 . . . . . . . . 4195 1 467 . 1 1 72 72 ARG HD2 H 1 3.23 0.01 . 1 . . . . . . . . 4195 1 468 . 1 1 72 72 ARG HD3 H 1 3.23 0.01 . 1 . . . . . . . . 4195 1 469 . 1 1 72 72 ARG HE H 1 7.16 0.01 . 1 . . . . . . . . 4195 1 470 . 1 1 73 73 PRO HA H 1 4.46 0.01 . 1 . . . . . . . . 4195 1 471 . 1 1 73 73 PRO HB2 H 1 2.25 0.01 . 2 . . . . . . . . 4195 1 472 . 1 1 73 73 PRO HB3 H 1 2.03 0.01 . 2 . . . . . . . . 4195 1 473 . 1 1 73 73 PRO HD2 H 1 3.66 0.01 . 2 . . . . . . . . 4195 1 474 . 1 1 73 73 PRO HD3 H 1 3.80 0.01 . 2 . . . . . . . . 4195 1 475 . 1 1 74 74 GLY H H 1 7.59 0.01 . 1 . . . . . . . . 4195 1 476 . 1 1 74 74 GLY HA2 H 1 3.66 0.01 . 2 . . . . . . . . 4195 1 477 . 1 1 74 74 GLY HA3 H 1 3.82 0.01 . 2 . . . . . . . . 4195 1 stop_ save_