data_1756 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1756 _Entry.Title ; Sequence-specific 1H-NMR assignments and secondary structure of the lipoyl domain of the Bacillus stearothermophilus pyruvate dehydrogenase multienzyme complex ; _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 Frederic Dardel . . . 1756 2 Ernest Laue . D. . 1756 3 Richard Perham . N. . 1756 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1756 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 508 1756 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 . . 2010-06-17 . revision BMRB 'Complete natural source information' 1756 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1756 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1756 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1756 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1756 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Dardel, Frederic, Laue, Ernest D., Perham, Richard N., "Sequence-specific 1H-NMR assignments and secondary structure of the lipoyl domain of the Bacillus stearothermophilus pyruvate dehydrogenase multienzyme complex," Eur. J. Biochem. 201, 203-209 (1991). ; _Citation.Title ; Sequence-specific 1H-NMR assignments and secondary structure of the lipoyl domain of the Bacillus stearothermophilus pyruvate dehydrogenase multienzyme complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 201 _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 203 _Citation.Page_last 209 _Citation.Year 1991 _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 Frederic Dardel . . . 1756 1 2 Ernest Laue . D. . 1756 1 3 Richard Perham . N. . 1756 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_lipoate_acetyltransferase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_lipoate_acetyltransferase _Assembly.Entry_ID 1756 _Assembly.ID 1 _Assembly.Name 'lipoate acetyltransferase' _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 'lipoate acetyltransferase' 1 $lipoate_acetyltransferase . . . . . . . . . 1756 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'lipoate acetyltransferase' system 1756 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_lipoate_acetyltransferase _Entity.Sf_category entity _Entity.Sf_framecode lipoate_acetyltransferase _Entity.Entry_ID 1756 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'lipoate acetyltransferase' _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 ; AFEFKLPDIGEGIHEGEIVK WFVKPGDEVNEDDVLCEVQN DKAVVEIPSPVKGKVLEILV PEGTVATVGQTLITLDAPGY ENMTF ; _Entity.Polymer_seq_one_letter_code ; AFEFKLPDIGEGIHEGEIVK WFVKPGDEVNEDDVLCEVQN DKAVVEIPSPVKGKVLEILV PEGTVATVGQTLITLDAPGY ENMTF ; _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 85 _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 2.3.1.12 _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 PDB 1LAB . "Three-Dimensional Structure Of The Lipoyl Domain From Bacillus Stearothermophilus Pyruvate Dehydrogenase Multienzyme Complex" . . . . . 92.94 80 100.00 100.00 2.27e-46 . . . . 1756 1 2 no PDB 1LAC . "Three-Dimensional Structure Of The Lipoyl Domain From Bacillus Stearothermophilus Pyruvate Dehydrogenase Multienzyme Complex" . . . . . 92.94 80 100.00 100.00 2.27e-46 . . . . 1756 1 3 no PDB 3DUF . "Snapshots Of Catalysis In The E1 Subunit Of The Pyruvate Dehydrogenase Multi-Enzyme Complex" . . . . . 100.00 428 100.00 100.00 1.56e-50 . . . . 1756 1 4 no PDB 3DV0 . "Snapshots Of Catalysis In The E1 Subunit Of The Pyruvate Dehydrogenase Multi-Enzyme Complex" . . . . . 100.00 428 100.00 100.00 1.56e-50 . . . . 1756 1 5 no PDB 3DVA . "Snapshots Of Catalysis In The E1 Subunit Of The Pyruvate Dehydrogenase Multi-Enzyme Complex" . . . . . 100.00 428 100.00 100.00 1.56e-50 . . . . 1756 1 6 no DBJ BAB83769 . "dihydrolipoyl acetyltransferase [Geobacillus stearothermophilus]" . . . . . 100.00 434 100.00 100.00 1.40e-50 . . . . 1756 1 7 no DBJ BAD75345 . "dihydrolipoamide acetyltransferase (E2 component of pyruvate dehydrogenase complex) [Geobacillus kaustophilus HTA426]" . . . . . 100.00 434 100.00 100.00 1.68e-50 . . . . 1756 1 8 no DBJ GAD13149 . "branched-chain alpha-keto acid dehydrogenase subunit E2 [Geobacillus kaustophilus GBlys]" . . . . . 100.00 434 100.00 100.00 1.58e-50 . . . . 1756 1 9 no DBJ GAJ38798 . "pyruvate dehydrogenase E2 component [Geobacillus caldoxylosilyticus NBRC 107762]" . . . . . 100.00 435 97.65 97.65 1.53e-48 . . . . 1756 1 10 no DBJ GAJ44252 . "pyruvate dehydrogenase E2 component [Geobacillus thermoglucosidasius NBRC 107763]" . . . . . 100.00 436 98.82 98.82 3.15e-49 . . . . 1756 1 11 no EMBL CAA37630 . "dihydrolipoamide acetyltransferase [Geobacillus stearothermophilus]" . . . . . 100.00 428 100.00 100.00 1.56e-50 . . . . 1756 1 12 no GB ABO66302 . "Dihydrolipoyl acetyltransferase [Geobacillus thermodenitrificans NG80-2]" . . . . . 100.00 436 100.00 100.00 1.17e-50 . . . . 1756 1 13 no GB ACS23817 . "Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase [Geobacillus sp. WCH70]" . . . . . 100.00 437 98.82 98.82 2.66e-49 . . . . 1756 1 14 no GB ACX78458 . "catalytic domain of components of various dehydrogenase complexes [Geobacillus sp. Y412MC61]" . . . . . 100.00 434 100.00 100.00 1.58e-50 . . . . 1756 1 15 no GB ADI27471 . "catalytic domain of components of various dehydrogenase complexes [Geobacillus sp. C56-T3]" . . . . . 100.00 434 100.00 100.00 1.58e-50 . . . . 1756 1 16 no GB ADP75534 . "catalytic domain-containing protein of components of various dehydrogenase complexes [Geobacillus sp. Y4.1MC1]" . . . . . 100.00 436 98.82 98.82 3.39e-49 . . . . 1756 1 17 no REF WP_003252040 . "branched-chain alpha-keto acid dehydrogenase subunit E2 [Geobacillus thermoglucosidasius]" . . . . . 100.00 436 98.82 98.82 3.15e-49 . . . . 1756 1 18 no REF WP_008878749 . "MULTISPECIES: branched-chain alpha-keto acid dehydrogenase subunit E2 [Geobacillus]" . . . . . 100.00 436 100.00 100.00 1.17e-50 . . . . 1756 1 19 no REF WP_011230560 . "branched-chain alpha-keto acid dehydrogenase subunit E2 [Geobacillus kaustophilus]" . . . . . 100.00 434 100.00 100.00 1.68e-50 . . . . 1756 1 20 no REF WP_013145897 . "MULTISPECIES: branched-chain alpha-keto acid dehydrogenase subunit E2 [Geobacillus]" . . . . . 100.00 434 100.00 100.00 1.58e-50 . . . . 1756 1 21 no REF WP_013401334 . "branched-chain alpha-keto acid dehydrogenase subunit E2 [Geobacillus sp. Y4.1MC1]" . . . . . 100.00 436 98.82 98.82 3.39e-49 . . . . 1756 1 22 no SP P11961 . "RecName: Full=Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex; AltName: Full=Dihydrol" . . . . . 100.00 428 100.00 100.00 1.56e-50 . . . . 1756 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'lipoate acetyltransferase' common 1756 1 'lipoyl domain of pyruvate dehydrogenase multienzyme complex' variant 1756 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 . ALA . 1756 1 2 . PHE . 1756 1 3 . GLU . 1756 1 4 . PHE . 1756 1 5 . LYS . 1756 1 6 . LEU . 1756 1 7 . PRO . 1756 1 8 . ASP . 1756 1 9 . ILE . 1756 1 10 . GLY . 1756 1 11 . GLU . 1756 1 12 . GLY . 1756 1 13 . ILE . 1756 1 14 . HIS . 1756 1 15 . GLU . 1756 1 16 . GLY . 1756 1 17 . GLU . 1756 1 18 . ILE . 1756 1 19 . VAL . 1756 1 20 . LYS . 1756 1 21 . TRP . 1756 1 22 . PHE . 1756 1 23 . VAL . 1756 1 24 . LYS . 1756 1 25 . PRO . 1756 1 26 . GLY . 1756 1 27 . ASP . 1756 1 28 . GLU . 1756 1 29 . VAL . 1756 1 30 . ASN . 1756 1 31 . GLU . 1756 1 32 . ASP . 1756 1 33 . ASP . 1756 1 34 . VAL . 1756 1 35 . LEU . 1756 1 36 . CYS . 1756 1 37 . GLU . 1756 1 38 . VAL . 1756 1 39 . GLN . 1756 1 40 . ASN . 1756 1 41 . ASP . 1756 1 42 . LYS . 1756 1 43 . ALA . 1756 1 44 . VAL . 1756 1 45 . VAL . 1756 1 46 . GLU . 1756 1 47 . ILE . 1756 1 48 . PRO . 1756 1 49 . SER . 1756 1 50 . PRO . 1756 1 51 . VAL . 1756 1 52 . LYS . 1756 1 53 . GLY . 1756 1 54 . LYS . 1756 1 55 . VAL . 1756 1 56 . LEU . 1756 1 57 . GLU . 1756 1 58 . ILE . 1756 1 59 . LEU . 1756 1 60 . VAL . 1756 1 61 . PRO . 1756 1 62 . GLU . 1756 1 63 . GLY . 1756 1 64 . THR . 1756 1 65 . VAL . 1756 1 66 . ALA . 1756 1 67 . THR . 1756 1 68 . VAL . 1756 1 69 . GLY . 1756 1 70 . GLN . 1756 1 71 . THR . 1756 1 72 . LEU . 1756 1 73 . ILE . 1756 1 74 . THR . 1756 1 75 . LEU . 1756 1 76 . ASP . 1756 1 77 . ALA . 1756 1 78 . PRO . 1756 1 79 . GLY . 1756 1 80 . TYR . 1756 1 81 . GLU . 1756 1 82 . ASN . 1756 1 83 . MET . 1756 1 84 . THR . 1756 1 85 . PHE . 1756 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 . ALA 1 1 1756 1 . PHE 2 2 1756 1 . GLU 3 3 1756 1 . PHE 4 4 1756 1 . LYS 5 5 1756 1 . LEU 6 6 1756 1 . PRO 7 7 1756 1 . ASP 8 8 1756 1 . ILE 9 9 1756 1 . GLY 10 10 1756 1 . GLU 11 11 1756 1 . GLY 12 12 1756 1 . ILE 13 13 1756 1 . HIS 14 14 1756 1 . GLU 15 15 1756 1 . GLY 16 16 1756 1 . GLU 17 17 1756 1 . ILE 18 18 1756 1 . VAL 19 19 1756 1 . LYS 20 20 1756 1 . TRP 21 21 1756 1 . PHE 22 22 1756 1 . VAL 23 23 1756 1 . LYS 24 24 1756 1 . PRO 25 25 1756 1 . GLY 26 26 1756 1 . ASP 27 27 1756 1 . GLU 28 28 1756 1 . VAL 29 29 1756 1 . ASN 30 30 1756 1 . GLU 31 31 1756 1 . ASP 32 32 1756 1 . ASP 33 33 1756 1 . VAL 34 34 1756 1 . LEU 35 35 1756 1 . CYS 36 36 1756 1 . GLU 37 37 1756 1 . VAL 38 38 1756 1 . GLN 39 39 1756 1 . ASN 40 40 1756 1 . ASP 41 41 1756 1 . LYS 42 42 1756 1 . ALA 43 43 1756 1 . VAL 44 44 1756 1 . VAL 45 45 1756 1 . GLU 46 46 1756 1 . ILE 47 47 1756 1 . PRO 48 48 1756 1 . SER 49 49 1756 1 . PRO 50 50 1756 1 . VAL 51 51 1756 1 . LYS 52 52 1756 1 . GLY 53 53 1756 1 . LYS 54 54 1756 1 . VAL 55 55 1756 1 . LEU 56 56 1756 1 . GLU 57 57 1756 1 . ILE 58 58 1756 1 . LEU 59 59 1756 1 . VAL 60 60 1756 1 . PRO 61 61 1756 1 . GLU 62 62 1756 1 . GLY 63 63 1756 1 . THR 64 64 1756 1 . VAL 65 65 1756 1 . ALA 66 66 1756 1 . THR 67 67 1756 1 . VAL 68 68 1756 1 . GLY 69 69 1756 1 . GLN 70 70 1756 1 . THR 71 71 1756 1 . LEU 72 72 1756 1 . ILE 73 73 1756 1 . THR 74 74 1756 1 . LEU 75 75 1756 1 . ASP 76 76 1756 1 . ALA 77 77 1756 1 . PRO 78 78 1756 1 . GLY 79 79 1756 1 . TYR 80 80 1756 1 . GLU 81 81 1756 1 . ASN 82 82 1756 1 . MET 83 83 1756 1 . THR 84 84 1756 1 . PHE 85 85 1756 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 1756 _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 $lipoate_acetyltransferase . 1422 organism . 'Bacillus stearothermophilus' . . . Bacteria . Bacillus stearothermophilus . . . . . . . . . . . . . . . . . . . . . 1756 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 1756 _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 $lipoate_acetyltransferase . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1756 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1756 _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 1756 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.1 . na 1756 1 temperature 318 . K 1756 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 1756 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 1756 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 1756 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 1756 _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 . . . . . . . . . . . . . . . . 1756 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 1756 _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 . DSS . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1756 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 1756 _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 . 1756 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 ALA HA H 1 4.41 . . 1 . . . . . . . . 1756 1 2 . 1 1 1 1 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 1756 1 3 . 1 1 1 1 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 1756 1 4 . 1 1 1 1 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 1756 1 5 . 1 1 2 2 PHE H H 1 9.26 . . 1 . . . . . . . . 1756 1 6 . 1 1 2 2 PHE HA H 1 4.65 . . 1 . . . . . . . . 1756 1 7 . 1 1 2 2 PHE HB2 H 1 3.05 . . 1 . . . . . . . . 1756 1 8 . 1 1 2 2 PHE HB3 H 1 3.05 . . 1 . . . . . . . . 1756 1 9 . 1 1 2 2 PHE HD1 H 1 7.02 . . 1 . . . . . . . . 1756 1 10 . 1 1 2 2 PHE HD2 H 1 7.02 . . 1 . . . . . . . . 1756 1 11 . 1 1 2 2 PHE HE1 H 1 7.19 . . 1 . . . . . . . . 1756 1 12 . 1 1 2 2 PHE HE2 H 1 7.19 . . 1 . . . . . . . . 1756 1 13 . 1 1 2 2 PHE HZ H 1 7.19 . . 1 . . . . . . . . 1756 1 14 . 1 1 3 3 GLU H H 1 8.14 . . 1 . . . . . . . . 1756 1 15 . 1 1 3 3 GLU HA H 1 4.37 . . 1 . . . . . . . . 1756 1 16 . 1 1 3 3 GLU HB2 H 1 1.83 . . 1 . . . . . . . . 1756 1 17 . 1 1 3 3 GLU HB3 H 1 1.83 . . 1 . . . . . . . . 1756 1 18 . 1 1 3 3 GLU HG2 H 1 2.27 . . 1 . . . . . . . . 1756 1 19 . 1 1 3 3 GLU HG3 H 1 2.27 . . 1 . . . . . . . . 1756 1 20 . 1 1 4 4 PHE H H 1 8.5 . . 1 . . . . . . . . 1756 1 21 . 1 1 4 4 PHE HA H 1 4.78 . . 1 . . . . . . . . 1756 1 22 . 1 1 4 4 PHE HB2 H 1 2.78 . . 2 . . . . . . . . 1756 1 23 . 1 1 4 4 PHE HB3 H 1 3.33 . . 2 . . . . . . . . 1756 1 24 . 1 1 4 4 PHE HD1 H 1 7.23 . . 1 . . . . . . . . 1756 1 25 . 1 1 4 4 PHE HD2 H 1 7.23 . . 1 . . . . . . . . 1756 1 26 . 1 1 4 4 PHE HE1 H 1 7.33 . . 1 . . . . . . . . 1756 1 27 . 1 1 4 4 PHE HE2 H 1 7.33 . . 1 . . . . . . . . 1756 1 28 . 1 1 4 4 PHE HZ H 1 7.33 . . 1 . . . . . . . . 1756 1 29 . 1 1 5 5 LYS H H 1 7.82 . . 1 . . . . . . . . 1756 1 30 . 1 1 5 5 LYS HA H 1 4.03 . . 1 . . . . . . . . 1756 1 31 . 1 1 5 5 LYS HB2 H 1 2.15 . . 1 . . . . . . . . 1756 1 32 . 1 1 5 5 LYS HB3 H 1 2.15 . . 1 . . . . . . . . 1756 1 33 . 1 1 6 6 LEU H H 1 7.84 . . 1 . . . . . . . . 1756 1 34 . 1 1 6 6 LEU HA H 1 4.71 . . 1 . . . . . . . . 1756 1 35 . 1 1 6 6 LEU HB2 H 1 1.31 . . 1 . . . . . . . . 1756 1 36 . 1 1 6 6 LEU HB3 H 1 1.31 . . 1 . . . . . . . . 1756 1 37 . 1 1 6 6 LEU HG H 1 1.09 . . 1 . . . . . . . . 1756 1 38 . 1 1 7 7 PRO HA H 1 4.63 . . 1 . . . . . . . . 1756 1 39 . 1 1 7 7 PRO HB2 H 1 1.46 . . 1 . . . . . . . . 1756 1 40 . 1 1 7 7 PRO HB3 H 1 1.46 . . 1 . . . . . . . . 1756 1 41 . 1 1 8 8 ASP H H 1 7.61 . . 1 . . . . . . . . 1756 1 42 . 1 1 8 8 ASP HA H 1 4.36 . . 1 . . . . . . . . 1756 1 43 . 1 1 8 8 ASP HB2 H 1 2.52 . . 2 . . . . . . . . 1756 1 44 . 1 1 8 8 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 1756 1 45 . 1 1 9 9 ILE H H 1 8.11 . . 1 . . . . . . . . 1756 1 46 . 1 1 9 9 ILE HA H 1 4.36 . . 1 . . . . . . . . 1756 1 47 . 1 1 9 9 ILE HB H 1 2.01 . . 1 . . . . . . . . 1756 1 48 . 1 1 9 9 ILE HG21 H 1 .82 . . 1 . . . . . . . . 1756 1 49 . 1 1 9 9 ILE HG22 H 1 .82 . . 1 . . . . . . . . 1756 1 50 . 1 1 9 9 ILE HG23 H 1 .82 . . 1 . . . . . . . . 1756 1 51 . 1 1 10 10 GLY H H 1 8.04 . . 1 . . . . . . . . 1756 1 52 . 1 1 10 10 GLY HA2 H 1 3.74 . . 2 . . . . . . . . 1756 1 53 . 1 1 10 10 GLY HA3 H 1 4.28 . . 2 . . . . . . . . 1756 1 54 . 1 1 11 11 GLU H H 1 8.43 . . 1 . . . . . . . . 1756 1 55 . 1 1 11 11 GLU HA H 1 4.16 . . 1 . . . . . . . . 1756 1 56 . 1 1 11 11 GLU HB2 H 1 2 . . 2 . . . . . . . . 1756 1 57 . 1 1 11 11 GLU HB3 H 1 2.01 . . 2 . . . . . . . . 1756 1 58 . 1 1 11 11 GLU HG2 H 1 2.28 . . 1 . . . . . . . . 1756 1 59 . 1 1 11 11 GLU HG3 H 1 2.28 . . 1 . . . . . . . . 1756 1 60 . 1 1 12 12 GLY H H 1 8.88 . . 1 . . . . . . . . 1756 1 61 . 1 1 12 12 GLY HA2 H 1 3.69 . . 2 . . . . . . . . 1756 1 62 . 1 1 12 12 GLY HA3 H 1 4.07 . . 2 . . . . . . . . 1756 1 63 . 1 1 13 13 ILE H H 1 7.42 . . 1 . . . . . . . . 1756 1 64 . 1 1 13 13 ILE HA H 1 4.16 . . 1 . . . . . . . . 1756 1 65 . 1 1 13 13 ILE HB H 1 1.77 . . 1 . . . . . . . . 1756 1 66 . 1 1 13 13 ILE HG21 H 1 .9 . . 1 . . . . . . . . 1756 1 67 . 1 1 13 13 ILE HG22 H 1 .9 . . 1 . . . . . . . . 1756 1 68 . 1 1 13 13 ILE HG23 H 1 .9 . . 1 . . . . . . . . 1756 1 69 . 1 1 14 14 HIS H H 1 9.06 . . 1 . . . . . . . . 1756 1 70 . 1 1 14 14 HIS HA H 1 4.87 . . 1 . . . . . . . . 1756 1 71 . 1 1 14 14 HIS HB2 H 1 3.2 . . 2 . . . . . . . . 1756 1 72 . 1 1 14 14 HIS HB3 H 1 3.42 . . 2 . . . . . . . . 1756 1 73 . 1 1 14 14 HIS HD2 H 1 8.56 . . 1 . . . . . . . . 1756 1 74 . 1 1 14 14 HIS HE1 H 1 7.27 . . 1 . . . . . . . . 1756 1 75 . 1 1 15 15 GLU H H 1 7.62 . . 1 . . . . . . . . 1756 1 76 . 1 1 15 15 GLU HA H 1 5.19 . . 1 . . . . . . . . 1756 1 77 . 1 1 15 15 GLU HB2 H 1 1.83 . . 2 . . . . . . . . 1756 1 78 . 1 1 15 15 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 1756 1 79 . 1 1 15 15 GLU HG2 H 1 1.98 . . 1 . . . . . . . . 1756 1 80 . 1 1 15 15 GLU HG3 H 1 1.98 . . 1 . . . . . . . . 1756 1 81 . 1 1 16 16 GLY H H 1 8.66 . . 1 . . . . . . . . 1756 1 82 . 1 1 16 16 GLY HA2 H 1 3.38 . . 2 . . . . . . . . 1756 1 83 . 1 1 16 16 GLY HA3 H 1 4.42 . . 2 . . . . . . . . 1756 1 84 . 1 1 17 17 GLU H H 1 8.6 . . 1 . . . . . . . . 1756 1 85 . 1 1 17 17 GLU HA H 1 4.62 . . 1 . . . . . . . . 1756 1 86 . 1 1 17 17 GLU HB2 H 1 1.88 . . 2 . . . . . . . . 1756 1 87 . 1 1 17 17 GLU HB3 H 1 1.92 . . 2 . . . . . . . . 1756 1 88 . 1 1 18 18 ILE H H 1 8.52 . . 1 . . . . . . . . 1756 1 89 . 1 1 18 18 ILE HA H 1 4.12 . . 1 . . . . . . . . 1756 1 90 . 1 1 18 18 ILE HB H 1 2.16 . . 1 . . . . . . . . 1756 1 91 . 1 1 18 18 ILE HG12 H 1 1.38 . . 1 . . . . . . . . 1756 1 92 . 1 1 18 18 ILE HG13 H 1 1.38 . . 1 . . . . . . . . 1756 1 93 . 1 1 18 18 ILE HG21 H 1 .14 . . 1 . . . . . . . . 1756 1 94 . 1 1 18 18 ILE HG22 H 1 .14 . . 1 . . . . . . . . 1756 1 95 . 1 1 18 18 ILE HG23 H 1 .14 . . 1 . . . . . . . . 1756 1 96 . 1 1 18 18 ILE HD11 H 1 .7 . . 1 . . . . . . . . 1756 1 97 . 1 1 18 18 ILE HD12 H 1 .7 . . 1 . . . . . . . . 1756 1 98 . 1 1 18 18 ILE HD13 H 1 .7 . . 1 . . . . . . . . 1756 1 99 . 1 1 19 19 VAL H H 1 8.53 . . 1 . . . . . . . . 1756 1 100 . 1 1 19 19 VAL HA H 1 4.08 . . 1 . . . . . . . . 1756 1 101 . 1 1 19 19 VAL HB H 1 1.88 . . 1 . . . . . . . . 1756 1 102 . 1 1 19 19 VAL HG11 H 1 .86 . . 2 . . . . . . . . 1756 1 103 . 1 1 19 19 VAL HG12 H 1 .86 . . 2 . . . . . . . . 1756 1 104 . 1 1 19 19 VAL HG13 H 1 .86 . . 2 . . . . . . . . 1756 1 105 . 1 1 19 19 VAL HG21 H 1 .89 . . 2 . . . . . . . . 1756 1 106 . 1 1 19 19 VAL HG22 H 1 .89 . . 2 . . . . . . . . 1756 1 107 . 1 1 19 19 VAL HG23 H 1 .89 . . 2 . . . . . . . . 1756 1 108 . 1 1 20 20 LYS H H 1 6.85 . . 1 . . . . . . . . 1756 1 109 . 1 1 20 20 LYS HA H 1 4.43 . . 1 . . . . . . . . 1756 1 110 . 1 1 20 20 LYS HB2 H 1 1.26 . . 2 . . . . . . . . 1756 1 111 . 1 1 20 20 LYS HB3 H 1 1.25 . . 2 . . . . . . . . 1756 1 112 . 1 1 20 20 LYS HG2 H 1 .76 . . 1 . . . . . . . . 1756 1 113 . 1 1 20 20 LYS HG3 H 1 .76 . . 1 . . . . . . . . 1756 1 114 . 1 1 20 20 LYS HD2 H 1 1.46 . . 1 . . . . . . . . 1756 1 115 . 1 1 20 20 LYS HD3 H 1 1.46 . . 1 . . . . . . . . 1756 1 116 . 1 1 21 21 TRP H H 1 9.29 . . 1 . . . . . . . . 1756 1 117 . 1 1 21 21 TRP HA H 1 4.83 . . 1 . . . . . . . . 1756 1 118 . 1 1 21 21 TRP HB2 H 1 3.24 . . 2 . . . . . . . . 1756 1 119 . 1 1 21 21 TRP HB3 H 1 3.57 . . 2 . . . . . . . . 1756 1 120 . 1 1 21 21 TRP HD1 H 1 7.27 . . 1 . . . . . . . . 1756 1 121 . 1 1 21 21 TRP HE1 H 1 10.92 . . 1 . . . . . . . . 1756 1 122 . 1 1 21 21 TRP HE3 H 1 7.89 . . 1 . . . . . . . . 1756 1 123 . 1 1 21 21 TRP HZ2 H 1 7.48 . . 1 . . . . . . . . 1756 1 124 . 1 1 21 21 TRP HZ3 H 1 6.82 . . 1 . . . . . . . . 1756 1 125 . 1 1 21 21 TRP HH2 H 1 6.99 . . 1 . . . . . . . . 1756 1 126 . 1 1 22 22 PHE H H 1 8.86 . . 1 . . . . . . . . 1756 1 127 . 1 1 22 22 PHE HA H 1 4.72 . . 1 . . . . . . . . 1756 1 128 . 1 1 22 22 PHE HB2 H 1 2.93 . . 2 . . . . . . . . 1756 1 129 . 1 1 22 22 PHE HB3 H 1 3.51 . . 2 . . . . . . . . 1756 1 130 . 1 1 22 22 PHE HD1 H 1 7.06 . . 1 . . . . . . . . 1756 1 131 . 1 1 22 22 PHE HD2 H 1 7.06 . . 1 . . . . . . . . 1756 1 132 . 1 1 22 22 PHE HE1 H 1 7.15 . . 1 . . . . . . . . 1756 1 133 . 1 1 22 22 PHE HE2 H 1 7.15 . . 1 . . . . . . . . 1756 1 134 . 1 1 22 22 PHE HZ H 1 7.15 . . 1 . . . . . . . . 1756 1 135 . 1 1 23 23 VAL H H 1 7.33 . . 1 . . . . . . . . 1756 1 136 . 1 1 23 23 VAL HA H 1 5.03 . . 1 . . . . . . . . 1756 1 137 . 1 1 23 23 VAL HB H 1 2.27 . . 1 . . . . . . . . 1756 1 138 . 1 1 23 23 VAL HG11 H 1 .98 . . 2 . . . . . . . . 1756 1 139 . 1 1 23 23 VAL HG12 H 1 .98 . . 2 . . . . . . . . 1756 1 140 . 1 1 23 23 VAL HG13 H 1 .98 . . 2 . . . . . . . . 1756 1 141 . 1 1 23 23 VAL HG21 H 1 1.11 . . 2 . . . . . . . . 1756 1 142 . 1 1 23 23 VAL HG22 H 1 1.11 . . 2 . . . . . . . . 1756 1 143 . 1 1 23 23 VAL HG23 H 1 1.11 . . 2 . . . . . . . . 1756 1 144 . 1 1 24 24 LYS H H 1 8.76 . . 1 . . . . . . . . 1756 1 145 . 1 1 24 24 LYS HA H 1 4.67 . . 1 . . . . . . . . 1756 1 146 . 1 1 24 24 LYS HB2 H 1 1.77 . . 2 . . . . . . . . 1756 1 147 . 1 1 24 24 LYS HB3 H 1 1.68 . . 2 . . . . . . . . 1756 1 148 . 1 1 24 24 LYS HG2 H 1 1.26 . . 1 . . . . . . . . 1756 1 149 . 1 1 24 24 LYS HG3 H 1 1.26 . . 1 . . . . . . . . 1756 1 150 . 1 1 24 24 LYS HD2 H 1 1.54 . . 1 . . . . . . . . 1756 1 151 . 1 1 24 24 LYS HD3 H 1 1.54 . . 1 . . . . . . . . 1756 1 152 . 1 1 25 25 PRO HA H 1 4.16 . . 1 . . . . . . . . 1756 1 153 . 1 1 26 26 GLY H H 1 8.91 . . 1 . . . . . . . . 1756 1 154 . 1 1 26 26 GLY HA2 H 1 3.56 . . 2 . . . . . . . . 1756 1 155 . 1 1 26 26 GLY HA3 H 1 4.52 . . 2 . . . . . . . . 1756 1 156 . 1 1 27 27 ASP H H 1 7.76 . . 1 . . . . . . . . 1756 1 157 . 1 1 27 27 ASP HA H 1 4.24 . . 1 . . . . . . . . 1756 1 158 . 1 1 28 28 GLU H H 1 8.49 . . 1 . . . . . . . . 1756 1 159 . 1 1 28 28 GLU HA H 1 4.82 . . 1 . . . . . . . . 1756 1 160 . 1 1 28 28 GLU HB2 H 1 1.94 . . 1 . . . . . . . . 1756 1 161 . 1 1 28 28 GLU HB3 H 1 1.94 . . 1 . . . . . . . . 1756 1 162 . 1 1 28 28 GLU HG2 H 1 2.17 . . 1 . . . . . . . . 1756 1 163 . 1 1 28 28 GLU HG3 H 1 2.17 . . 1 . . . . . . . . 1756 1 164 . 1 1 29 29 VAL H H 1 8.99 . . 1 . . . . . . . . 1756 1 165 . 1 1 29 29 VAL HA H 1 4.56 . . 1 . . . . . . . . 1756 1 166 . 1 1 29 29 VAL HB H 1 2.08 . . 1 . . . . . . . . 1756 1 167 . 1 1 29 29 VAL HG11 H 1 .72 . . 2 . . . . . . . . 1756 1 168 . 1 1 29 29 VAL HG12 H 1 .72 . . 2 . . . . . . . . 1756 1 169 . 1 1 29 29 VAL HG13 H 1 .72 . . 2 . . . . . . . . 1756 1 170 . 1 1 29 29 VAL HG21 H 1 .89 . . 2 . . . . . . . . 1756 1 171 . 1 1 29 29 VAL HG22 H 1 .89 . . 2 . . . . . . . . 1756 1 172 . 1 1 29 29 VAL HG23 H 1 .89 . . 2 . . . . . . . . 1756 1 173 . 1 1 30 30 ASN H H 1 8.91 . . 1 . . . . . . . . 1756 1 174 . 1 1 30 30 ASN HA H 1 4.91 . . 1 . . . . . . . . 1756 1 175 . 1 1 30 30 ASN HB2 H 1 2.63 . . 2 . . . . . . . . 1756 1 176 . 1 1 30 30 ASN HB3 H 1 2.67 . . 2 . . . . . . . . 1756 1 177 . 1 1 31 31 GLU H H 1 8.38 . . 1 . . . . . . . . 1756 1 178 . 1 1 31 31 GLU HA H 1 3.39 . . 1 . . . . . . . . 1756 1 179 . 1 1 31 31 GLU HB2 H 1 1.66 . . 2 . . . . . . . . 1756 1 180 . 1 1 31 31 GLU HB3 H 1 1.7 . . 2 . . . . . . . . 1756 1 181 . 1 1 31 31 GLU HG2 H 1 1.98 . . 1 . . . . . . . . 1756 1 182 . 1 1 31 31 GLU HG3 H 1 1.98 . . 1 . . . . . . . . 1756 1 183 . 1 1 32 32 ASP H H 1 9.21 . . 1 . . . . . . . . 1756 1 184 . 1 1 32 32 ASP HA H 1 4.14 . . 1 . . . . . . . . 1756 1 185 . 1 1 32 32 ASP HB2 H 1 2.88 . . 2 . . . . . . . . 1756 1 186 . 1 1 32 32 ASP HB3 H 1 3.15 . . 2 . . . . . . . . 1756 1 187 . 1 1 33 33 ASP H H 1 7.73 . . 1 . . . . . . . . 1756 1 188 . 1 1 33 33 ASP HA H 1 4.49 . . 1 . . . . . . . . 1756 1 189 . 1 1 33 33 ASP HB2 H 1 2.98 . . 2 . . . . . . . . 1756 1 190 . 1 1 33 33 ASP HB3 H 1 3.18 . . 2 . . . . . . . . 1756 1 191 . 1 1 34 34 VAL H H 1 8.45 . . 1 . . . . . . . . 1756 1 192 . 1 1 34 34 VAL HA H 1 3.7 . . 1 . . . . . . . . 1756 1 193 . 1 1 34 34 VAL HB H 1 1.64 . . 1 . . . . . . . . 1756 1 194 . 1 1 34 34 VAL HG11 H 1 .62 . . 2 . . . . . . . . 1756 1 195 . 1 1 34 34 VAL HG12 H 1 .62 . . 2 . . . . . . . . 1756 1 196 . 1 1 34 34 VAL HG13 H 1 .62 . . 2 . . . . . . . . 1756 1 197 . 1 1 34 34 VAL HG21 H 1 .78 . . 2 . . . . . . . . 1756 1 198 . 1 1 34 34 VAL HG22 H 1 .78 . . 2 . . . . . . . . 1756 1 199 . 1 1 34 34 VAL HG23 H 1 .78 . . 2 . . . . . . . . 1756 1 200 . 1 1 35 35 LEU H H 1 9.02 . . 1 . . . . . . . . 1756 1 201 . 1 1 35 35 LEU HA H 1 4.67 . . 1 . . . . . . . . 1756 1 202 . 1 1 35 35 LEU HB2 H 1 2.07 . . 1 . . . . . . . . 1756 1 203 . 1 1 35 35 LEU HB3 H 1 2.07 . . 1 . . . . . . . . 1756 1 204 . 1 1 35 35 LEU HG H 1 1.71 . . 1 . . . . . . . . 1756 1 205 . 1 1 35 35 LEU HD11 H 1 .704 . . 1 . . . . . . . . 1756 1 206 . 1 1 35 35 LEU HD12 H 1 .704 . . 1 . . . . . . . . 1756 1 207 . 1 1 35 35 LEU HD13 H 1 .704 . . 1 . . . . . . . . 1756 1 208 . 1 1 35 35 LEU HD21 H 1 .704 . . 1 . . . . . . . . 1756 1 209 . 1 1 35 35 LEU HD22 H 1 .704 . . 1 . . . . . . . . 1756 1 210 . 1 1 35 35 LEU HD23 H 1 .704 . . 1 . . . . . . . . 1756 1 211 . 1 1 36 36 CYS H H 1 7.46 . . 1 . . . . . . . . 1756 1 212 . 1 1 36 36 CYS HA H 1 5.09 . . 1 . . . . . . . . 1756 1 213 . 1 1 36 36 CYS HB2 H 1 2.12 . . 1 . . . . . . . . 1756 1 214 . 1 1 36 36 CYS HB3 H 1 2.12 . . 1 . . . . . . . . 1756 1 215 . 1 1 37 37 GLU H H 1 8.05 . . 1 . . . . . . . . 1756 1 216 . 1 1 37 37 GLU HA H 1 5.2 . . 1 . . . . . . . . 1756 1 217 . 1 1 37 37 GLU HB2 H 1 1.76 . . 2 . . . . . . . . 1756 1 218 . 1 1 37 37 GLU HB3 H 1 2.06 . . 2 . . . . . . . . 1756 1 219 . 1 1 38 38 VAL H H 1 9.02 . . 1 . . . . . . . . 1756 1 220 . 1 1 38 38 VAL HA H 1 5.05 . . 1 . . . . . . . . 1756 1 221 . 1 1 38 38 VAL HB H 1 1.71 . . 1 . . . . . . . . 1756 1 222 . 1 1 38 38 VAL HG11 H 1 .7 . . 2 . . . . . . . . 1756 1 223 . 1 1 38 38 VAL HG12 H 1 .7 . . 2 . . . . . . . . 1756 1 224 . 1 1 38 38 VAL HG13 H 1 .7 . . 2 . . . . . . . . 1756 1 225 . 1 1 38 38 VAL HG21 H 1 .73 . . 2 . . . . . . . . 1756 1 226 . 1 1 38 38 VAL HG22 H 1 .73 . . 2 . . . . . . . . 1756 1 227 . 1 1 38 38 VAL HG23 H 1 .73 . . 2 . . . . . . . . 1756 1 228 . 1 1 39 39 GLN H H 1 9.21 . . 1 . . . . . . . . 1756 1 229 . 1 1 39 39 GLN HA H 1 5.26 . . 1 . . . . . . . . 1756 1 230 . 1 1 39 39 GLN HB2 H 1 1.94 . . 2 . . . . . . . . 1756 1 231 . 1 1 39 39 GLN HB3 H 1 1.97 . . 2 . . . . . . . . 1756 1 232 . 1 1 39 39 GLN HG2 H 1 2.29 . . 1 . . . . . . . . 1756 1 233 . 1 1 39 39 GLN HG3 H 1 2.29 . . 1 . . . . . . . . 1756 1 234 . 1 1 39 39 GLN HE21 H 1 6.5 . . 2 . . . . . . . . 1756 1 235 . 1 1 39 39 GLN HE22 H 1 7.33 . . 2 . . . . . . . . 1756 1 236 . 1 1 40 40 ASN H H 1 8.76 . . 1 . . . . . . . . 1756 1 237 . 1 1 40 40 ASN HA H 1 5.06 . . 1 . . . . . . . . 1756 1 238 . 1 1 40 40 ASN HB2 H 1 2.71 . . 2 . . . . . . . . 1756 1 239 . 1 1 40 40 ASN HB3 H 1 3 . . 2 . . . . . . . . 1756 1 240 . 1 1 41 41 ASP H H 1 8.88 . . 1 . . . . . . . . 1756 1 241 . 1 1 41 41 ASP HA H 1 4.27 . . 1 . . . . . . . . 1756 1 242 . 1 1 41 41 ASP HB2 H 1 2.7 . . 2 . . . . . . . . 1756 1 243 . 1 1 41 41 ASP HB3 H 1 2.98 . . 2 . . . . . . . . 1756 1 244 . 1 1 42 42 LYS H H 1 8.3 . . 1 . . . . . . . . 1756 1 245 . 1 1 42 42 LYS HA H 1 4.42 . . 1 . . . . . . . . 1756 1 246 . 1 1 42 42 LYS HB2 H 1 1.7 . . 2 . . . . . . . . 1756 1 247 . 1 1 42 42 LYS HB3 H 1 1.79 . . 2 . . . . . . . . 1756 1 248 . 1 1 42 42 LYS HG2 H 1 1.44 . . 1 . . . . . . . . 1756 1 249 . 1 1 42 42 LYS HG3 H 1 1.44 . . 1 . . . . . . . . 1756 1 250 . 1 1 43 43 ALA H H 1 8.23 . . 1 . . . . . . . . 1756 1 251 . 1 1 43 43 ALA HA H 1 4.59 . . 1 . . . . . . . . 1756 1 252 . 1 1 43 43 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 1756 1 253 . 1 1 43 43 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 1756 1 254 . 1 1 43 43 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 1756 1 255 . 1 1 44 44 VAL H H 1 7.93 . . 1 . . . . . . . . 1756 1 256 . 1 1 44 44 VAL HA H 1 4.78 . . 1 . . . . . . . . 1756 1 257 . 1 1 44 44 VAL HB H 1 1.89 . . 1 . . . . . . . . 1756 1 258 . 1 1 44 44 VAL HG11 H 1 .79 . . 2 . . . . . . . . 1756 1 259 . 1 1 44 44 VAL HG12 H 1 .79 . . 2 . . . . . . . . 1756 1 260 . 1 1 44 44 VAL HG13 H 1 .79 . . 2 . . . . . . . . 1756 1 261 . 1 1 44 44 VAL HG21 H 1 .89 . . 2 . . . . . . . . 1756 1 262 . 1 1 44 44 VAL HG22 H 1 .89 . . 2 . . . . . . . . 1756 1 263 . 1 1 44 44 VAL HG23 H 1 .89 . . 2 . . . . . . . . 1756 1 264 . 1 1 45 45 VAL H H 1 9.26 . . 1 . . . . . . . . 1756 1 265 . 1 1 45 45 VAL HA H 1 4.49 . . 1 . . . . . . . . 1756 1 266 . 1 1 45 45 VAL HB H 1 1.96 . . 1 . . . . . . . . 1756 1 267 . 1 1 45 45 VAL HG11 H 1 .88 . . 2 . . . . . . . . 1756 1 268 . 1 1 45 45 VAL HG12 H 1 .88 . . 2 . . . . . . . . 1756 1 269 . 1 1 45 45 VAL HG13 H 1 .88 . . 2 . . . . . . . . 1756 1 270 . 1 1 45 45 VAL HG21 H 1 .93 . . 2 . . . . . . . . 1756 1 271 . 1 1 45 45 VAL HG22 H 1 .93 . . 2 . . . . . . . . 1756 1 272 . 1 1 45 45 VAL HG23 H 1 .93 . . 2 . . . . . . . . 1756 1 273 . 1 1 46 46 GLU H H 1 8.56 . . 1 . . . . . . . . 1756 1 274 . 1 1 46 46 GLU HA H 1 4.75 . . 1 . . . . . . . . 1756 1 275 . 1 1 46 46 GLU HB2 H 1 2 . . 2 . . . . . . . . 1756 1 276 . 1 1 46 46 GLU HB3 H 1 2.01 . . 2 . . . . . . . . 1756 1 277 . 1 1 47 47 ILE H H 1 8.45 . . 1 . . . . . . . . 1756 1 278 . 1 1 47 47 ILE HA H 1 4.75 . . 1 . . . . . . . . 1756 1 279 . 1 1 47 47 ILE HB H 1 2.45 . . 1 . . . . . . . . 1756 1 280 . 1 1 47 47 ILE HG21 H 1 1.06 . . 1 . . . . . . . . 1756 1 281 . 1 1 47 47 ILE HG22 H 1 1.06 . . 1 . . . . . . . . 1756 1 282 . 1 1 47 47 ILE HG23 H 1 1.06 . . 1 . . . . . . . . 1756 1 283 . 1 1 48 48 PRO HA H 1 5.05 . . 1 . . . . . . . . 1756 1 284 . 1 1 48 48 PRO HB2 H 1 2.05 . . 1 . . . . . . . . 1756 1 285 . 1 1 48 48 PRO HB3 H 1 2.05 . . 1 . . . . . . . . 1756 1 286 . 1 1 48 48 PRO HD2 H 1 3.88 . . 2 . . . . . . . . 1756 1 287 . 1 1 48 48 PRO HD3 H 1 4.16 . . 2 . . . . . . . . 1756 1 288 . 1 1 49 49 SER H H 1 8.92 . . 1 . . . . . . . . 1756 1 289 . 1 1 49 49 SER HA H 1 4.24 . . 1 . . . . . . . . 1756 1 290 . 1 1 49 49 SER HB2 H 1 4.24 . . 1 . . . . . . . . 1756 1 291 . 1 1 49 49 SER HB3 H 1 4.24 . . 1 . . . . . . . . 1756 1 292 . 1 1 50 50 PRO HA H 1 4.76 . . 1 . . . . . . . . 1756 1 293 . 1 1 50 50 PRO HB2 H 1 2.34 . . 1 . . . . . . . . 1756 1 294 . 1 1 50 50 PRO HB3 H 1 2.34 . . 1 . . . . . . . . 1756 1 295 . 1 1 51 51 VAL H H 1 7.17 . . 1 . . . . . . . . 1756 1 296 . 1 1 51 51 VAL HA H 1 4.17 . . 1 . . . . . . . . 1756 1 297 . 1 1 51 51 VAL HB H 1 1.11 . . 1 . . . . . . . . 1756 1 298 . 1 1 51 51 VAL HG11 H 1 .28 . . 2 . . . . . . . . 1756 1 299 . 1 1 51 51 VAL HG12 H 1 .28 . . 2 . . . . . . . . 1756 1 300 . 1 1 51 51 VAL HG13 H 1 .28 . . 2 . . . . . . . . 1756 1 301 . 1 1 51 51 VAL HG21 H 1 .1 . . 2 . . . . . . . . 1756 1 302 . 1 1 51 51 VAL HG22 H 1 .1 . . 2 . . . . . . . . 1756 1 303 . 1 1 51 51 VAL HG23 H 1 .1 . . 2 . . . . . . . . 1756 1 304 . 1 1 52 52 LYS H H 1 6.82 . . 1 . . . . . . . . 1756 1 305 . 1 1 52 52 LYS HA H 1 4.85 . . 1 . . . . . . . . 1756 1 306 . 1 1 52 52 LYS HB2 H 1 1.82 . . 2 . . . . . . . . 1756 1 307 . 1 1 52 52 LYS HB3 H 1 1.88 . . 2 . . . . . . . . 1756 1 308 . 1 1 52 52 LYS HG2 H 1 1.31 . . 1 . . . . . . . . 1756 1 309 . 1 1 52 52 LYS HG3 H 1 1.31 . . 1 . . . . . . . . 1756 1 310 . 1 1 53 53 GLY H H 1 8.39 . . 1 . . . . . . . . 1756 1 311 . 1 1 53 53 GLY HA2 H 1 4.04 . . 2 . . . . . . . . 1756 1 312 . 1 1 53 53 GLY HA3 H 1 4.28 . . 2 . . . . . . . . 1756 1 313 . 1 1 54 54 LYS H H 1 8.19 . . 1 . . . . . . . . 1756 1 314 . 1 1 54 54 LYS HA H 1 5.26 . . 1 . . . . . . . . 1756 1 315 . 1 1 54 54 LYS HB2 H 1 1.72 . . 2 . . . . . . . . 1756 1 316 . 1 1 54 54 LYS HB3 H 1 1.8 . . 2 . . . . . . . . 1756 1 317 . 1 1 54 54 LYS HG2 H 1 1.27 . . 1 . . . . . . . . 1756 1 318 . 1 1 54 54 LYS HG3 H 1 1.27 . . 1 . . . . . . . . 1756 1 319 . 1 1 55 55 VAL H H 1 9.15 . . 1 . . . . . . . . 1756 1 320 . 1 1 55 55 VAL HA H 1 3.68 . . 1 . . . . . . . . 1756 1 321 . 1 1 55 55 VAL HB H 1 2.29 . . 1 . . . . . . . . 1756 1 322 . 1 1 55 55 VAL HG11 H 1 .57 . . 2 . . . . . . . . 1756 1 323 . 1 1 55 55 VAL HG12 H 1 .57 . . 2 . . . . . . . . 1756 1 324 . 1 1 55 55 VAL HG13 H 1 .57 . . 2 . . . . . . . . 1756 1 325 . 1 1 55 55 VAL HG21 H 1 .91 . . 2 . . . . . . . . 1756 1 326 . 1 1 55 55 VAL HG22 H 1 .91 . . 2 . . . . . . . . 1756 1 327 . 1 1 55 55 VAL HG23 H 1 .91 . . 2 . . . . . . . . 1756 1 328 . 1 1 56 56 LEU H H 1 9.12 . . 1 . . . . . . . . 1756 1 329 . 1 1 56 56 LEU HA H 1 4.58 . . 1 . . . . . . . . 1756 1 330 . 1 1 56 56 LEU HB2 H 1 1.46 . . 2 . . . . . . . . 1756 1 331 . 1 1 56 56 LEU HB3 H 1 1.98 . . 2 . . . . . . . . 1756 1 332 . 1 1 56 56 LEU HG H 1 1.59 . . 1 . . . . . . . . 1756 1 333 . 1 1 56 56 LEU HD11 H 1 .53 . . 2 . . . . . . . . 1756 1 334 . 1 1 56 56 LEU HD12 H 1 .53 . . 2 . . . . . . . . 1756 1 335 . 1 1 56 56 LEU HD13 H 1 .53 . . 2 . . . . . . . . 1756 1 336 . 1 1 56 56 LEU HD21 H 1 .78 . . 2 . . . . . . . . 1756 1 337 . 1 1 56 56 LEU HD22 H 1 .78 . . 2 . . . . . . . . 1756 1 338 . 1 1 56 56 LEU HD23 H 1 .78 . . 2 . . . . . . . . 1756 1 339 . 1 1 57 57 GLU H H 1 7.33 . . 1 . . . . . . . . 1756 1 340 . 1 1 57 57 GLU HA H 1 4.43 . . 1 . . . . . . . . 1756 1 341 . 1 1 57 57 GLU HB2 H 1 1.79 . . 2 . . . . . . . . 1756 1 342 . 1 1 57 57 GLU HB3 H 1 1.8 . . 2 . . . . . . . . 1756 1 343 . 1 1 57 57 GLU HG2 H 1 2.04 . . 1 . . . . . . . . 1756 1 344 . 1 1 57 57 GLU HG3 H 1 2.04 . . 1 . . . . . . . . 1756 1 345 . 1 1 58 58 ILE H H 1 8.49 . . 1 . . . . . . . . 1756 1 346 . 1 1 58 58 ILE HA H 1 3.83 . . 1 . . . . . . . . 1756 1 347 . 1 1 58 58 ILE HB H 1 1.34 . . 1 . . . . . . . . 1756 1 348 . 1 1 58 58 ILE HG21 H 1 -.04 . . 1 . . . . . . . . 1756 1 349 . 1 1 58 58 ILE HG22 H 1 -.04 . . 1 . . . . . . . . 1756 1 350 . 1 1 58 58 ILE HG23 H 1 -.04 . . 1 . . . . . . . . 1756 1 351 . 1 1 59 59 LEU H H 1 8.27 . . 1 . . . . . . . . 1756 1 352 . 1 1 59 59 LEU HA H 1 4.38 . . 1 . . . . . . . . 1756 1 353 . 1 1 59 59 LEU HB2 H 1 1.51 . . 2 . . . . . . . . 1756 1 354 . 1 1 59 59 LEU HB3 H 1 1.7 . . 2 . . . . . . . . 1756 1 355 . 1 1 60 60 VAL H H 1 6.92 . . 1 . . . . . . . . 1756 1 356 . 1 1 60 60 VAL HA H 1 4.75 . . 1 . . . . . . . . 1756 1 357 . 1 1 60 60 VAL HB H 1 2.23 . . 1 . . . . . . . . 1756 1 358 . 1 1 60 60 VAL HG11 H 1 1.01 . . 2 . . . . . . . . 1756 1 359 . 1 1 60 60 VAL HG12 H 1 1.01 . . 2 . . . . . . . . 1756 1 360 . 1 1 60 60 VAL HG13 H 1 1.01 . . 2 . . . . . . . . 1756 1 361 . 1 1 60 60 VAL HG21 H 1 1.15 . . 2 . . . . . . . . 1756 1 362 . 1 1 60 60 VAL HG22 H 1 1.15 . . 2 . . . . . . . . 1756 1 363 . 1 1 60 60 VAL HG23 H 1 1.15 . . 2 . . . . . . . . 1756 1 364 . 1 1 61 61 PRO HA H 1 4.51 . . 1 . . . . . . . . 1756 1 365 . 1 1 61 61 PRO HB2 H 1 2.37 . . 1 . . . . . . . . 1756 1 366 . 1 1 61 61 PRO HB3 H 1 2.37 . . 1 . . . . . . . . 1756 1 367 . 1 1 61 61 PRO HD2 H 1 3.85 . . 2 . . . . . . . . 1756 1 368 . 1 1 61 61 PRO HD3 H 1 3.93 . . 2 . . . . . . . . 1756 1 369 . 1 1 62 62 GLU H H 1 8.86 . . 1 . . . . . . . . 1756 1 370 . 1 1 62 62 GLU HA H 1 3.96 . . 1 . . . . . . . . 1756 1 371 . 1 1 62 62 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 1756 1 372 . 1 1 62 62 GLU HB3 H 1 2.13 . . 2 . . . . . . . . 1756 1 373 . 1 1 62 62 GLU HG2 H 1 2.24 . . 1 . . . . . . . . 1756 1 374 . 1 1 62 62 GLU HG3 H 1 2.24 . . 1 . . . . . . . . 1756 1 375 . 1 1 63 63 GLY H H 1 9.41 . . 1 . . . . . . . . 1756 1 376 . 1 1 63 63 GLY HA2 H 1 3.92 . . 2 . . . . . . . . 1756 1 377 . 1 1 63 63 GLY HA3 H 1 4.31 . . 2 . . . . . . . . 1756 1 378 . 1 1 64 64 THR H H 1 7.6 . . 1 . . . . . . . . 1756 1 379 . 1 1 64 64 THR HA H 1 4.61 . . 1 . . . . . . . . 1756 1 380 . 1 1 64 64 THR HB H 1 4.2 . . 1 . . . . . . . . 1756 1 381 . 1 1 64 64 THR HG21 H 1 1.31 . . 1 . . . . . . . . 1756 1 382 . 1 1 64 64 THR HG22 H 1 1.31 . . 1 . . . . . . . . 1756 1 383 . 1 1 64 64 THR HG23 H 1 1.31 . . 1 . . . . . . . . 1756 1 384 . 1 1 65 65 VAL H H 1 8.25 . . 1 . . . . . . . . 1756 1 385 . 1 1 65 65 VAL HA H 1 4.31 . . 1 . . . . . . . . 1756 1 386 . 1 1 65 65 VAL HB H 1 1.91 . . 1 . . . . . . . . 1756 1 387 . 1 1 65 65 VAL HG11 H 1 .77 . . 2 . . . . . . . . 1756 1 388 . 1 1 65 65 VAL HG12 H 1 .77 . . 2 . . . . . . . . 1756 1 389 . 1 1 65 65 VAL HG13 H 1 .77 . . 2 . . . . . . . . 1756 1 390 . 1 1 65 65 VAL HG21 H 1 .93 . . 2 . . . . . . . . 1756 1 391 . 1 1 65 65 VAL HG22 H 1 .93 . . 2 . . . . . . . . 1756 1 392 . 1 1 65 65 VAL HG23 H 1 .93 . . 2 . . . . . . . . 1756 1 393 . 1 1 66 66 ALA H H 1 8.86 . . 1 . . . . . . . . 1756 1 394 . 1 1 66 66 ALA HA H 1 4.91 . . 1 . . . . . . . . 1756 1 395 . 1 1 66 66 ALA HB1 H 1 1.27 . . 1 . . . . . . . . 1756 1 396 . 1 1 66 66 ALA HB2 H 1 1.27 . . 1 . . . . . . . . 1756 1 397 . 1 1 66 66 ALA HB3 H 1 1.27 . . 1 . . . . . . . . 1756 1 398 . 1 1 67 67 THR H H 1 8.3 . . 1 . . . . . . . . 1756 1 399 . 1 1 67 67 THR HA H 1 4.8 . . 1 . . . . . . . . 1756 1 400 . 1 1 67 67 THR HB H 1 4.06 . . 1 . . . . . . . . 1756 1 401 . 1 1 67 67 THR HG21 H 1 1.34 . . 1 . . . . . . . . 1756 1 402 . 1 1 67 67 THR HG22 H 1 1.34 . . 1 . . . . . . . . 1756 1 403 . 1 1 67 67 THR HG23 H 1 1.34 . . 1 . . . . . . . . 1756 1 404 . 1 1 68 68 VAL H H 1 7.91 . . 1 . . . . . . . . 1756 1 405 . 1 1 68 68 VAL HA H 1 3.36 . . 1 . . . . . . . . 1756 1 406 . 1 1 68 68 VAL HB H 1 1.86 . . 1 . . . . . . . . 1756 1 407 . 1 1 68 68 VAL HG11 H 1 .89 . . 2 . . . . . . . . 1756 1 408 . 1 1 68 68 VAL HG12 H 1 .89 . . 2 . . . . . . . . 1756 1 409 . 1 1 68 68 VAL HG13 H 1 .89 . . 2 . . . . . . . . 1756 1 410 . 1 1 68 68 VAL HG21 H 1 .99 . . 2 . . . . . . . . 1756 1 411 . 1 1 68 68 VAL HG22 H 1 .99 . . 2 . . . . . . . . 1756 1 412 . 1 1 68 68 VAL HG23 H 1 .99 . . 2 . . . . . . . . 1756 1 413 . 1 1 69 69 GLY H H 1 9.15 . . 1 . . . . . . . . 1756 1 414 . 1 1 69 69 GLY HA2 H 1 4.39 . . 2 . . . . . . . . 1756 1 415 . 1 1 69 69 GLY HA3 H 1 3.47 . . 2 . . . . . . . . 1756 1 416 . 1 1 70 70 GLN H H 1 8.41 . . 1 . . . . . . . . 1756 1 417 . 1 1 70 70 GLN HA H 1 4.31 . . 1 . . . . . . . . 1756 1 418 . 1 1 70 70 GLN HB2 H 1 2.17 . . 2 . . . . . . . . 1756 1 419 . 1 1 70 70 GLN HB3 H 1 2.21 . . 2 . . . . . . . . 1756 1 420 . 1 1 71 71 THR H H 1 8.78 . . 1 . . . . . . . . 1756 1 421 . 1 1 71 71 THR HA H 1 3.94 . . 1 . . . . . . . . 1756 1 422 . 1 1 71 71 THR HB H 1 3.98 . . 1 . . . . . . . . 1756 1 423 . 1 1 71 71 THR HG21 H 1 1.03 . . 1 . . . . . . . . 1756 1 424 . 1 1 71 71 THR HG22 H 1 1.03 . . 1 . . . . . . . . 1756 1 425 . 1 1 71 71 THR HG23 H 1 1.03 . . 1 . . . . . . . . 1756 1 426 . 1 1 72 72 LEU H H 1 9.32 . . 1 . . . . . . . . 1756 1 427 . 1 1 72 72 LEU HA H 1 4.68 . . 1 . . . . . . . . 1756 1 428 . 1 1 72 72 LEU HB2 H 1 2.18 . . 1 . . . . . . . . 1756 1 429 . 1 1 72 72 LEU HB3 H 1 2.18 . . 1 . . . . . . . . 1756 1 430 . 1 1 73 73 ILE H H 1 7.69 . . 1 . . . . . . . . 1756 1 431 . 1 1 73 73 ILE HA H 1 5.12 . . 1 . . . . . . . . 1756 1 432 . 1 1 73 73 ILE HB H 1 2.11 . . 1 . . . . . . . . 1756 1 433 . 1 1 73 73 ILE HG21 H 1 1.23 . . 1 . . . . . . . . 1756 1 434 . 1 1 73 73 ILE HG22 H 1 1.23 . . 1 . . . . . . . . 1756 1 435 . 1 1 73 73 ILE HG23 H 1 1.23 . . 1 . . . . . . . . 1756 1 436 . 1 1 74 74 THR H H 1 8.85 . . 1 . . . . . . . . 1756 1 437 . 1 1 74 74 THR HA H 1 5.57 . . 1 . . . . . . . . 1756 1 438 . 1 1 74 74 THR HB H 1 4.05 . . 1 . . . . . . . . 1756 1 439 . 1 1 74 74 THR HG21 H 1 1.1 . . 1 . . . . . . . . 1756 1 440 . 1 1 74 74 THR HG22 H 1 1.1 . . 1 . . . . . . . . 1756 1 441 . 1 1 74 74 THR HG23 H 1 1.1 . . 1 . . . . . . . . 1756 1 442 . 1 1 75 75 LEU H H 1 9.27 . . 1 . . . . . . . . 1756 1 443 . 1 1 75 75 LEU HA H 1 5.32 . . 1 . . . . . . . . 1756 1 444 . 1 1 75 75 LEU HB2 H 1 1.46 . . 1 . . . . . . . . 1756 1 445 . 1 1 75 75 LEU HB3 H 1 1.46 . . 1 . . . . . . . . 1756 1 446 . 1 1 75 75 LEU HG H 1 1.23 . . 1 . . . . . . . . 1756 1 447 . 1 1 75 75 LEU HD11 H 1 .78 . . 2 . . . . . . . . 1756 1 448 . 1 1 75 75 LEU HD12 H 1 .78 . . 2 . . . . . . . . 1756 1 449 . 1 1 75 75 LEU HD13 H 1 .78 . . 2 . . . . . . . . 1756 1 450 . 1 1 75 75 LEU HD21 H 1 1.08 . . 2 . . . . . . . . 1756 1 451 . 1 1 75 75 LEU HD22 H 1 1.08 . . 2 . . . . . . . . 1756 1 452 . 1 1 75 75 LEU HD23 H 1 1.08 . . 2 . . . . . . . . 1756 1 453 . 1 1 76 76 ASP H H 1 9.43 . . 1 . . . . . . . . 1756 1 454 . 1 1 76 76 ASP HA H 1 4.94 . . 1 . . . . . . . . 1756 1 455 . 1 1 76 76 ASP HB2 H 1 2.55 . . 2 . . . . . . . . 1756 1 456 . 1 1 76 76 ASP HB3 H 1 2.92 . . 2 . . . . . . . . 1756 1 457 . 1 1 77 77 ALA H H 1 8.47 . . 1 . . . . . . . . 1756 1 458 . 1 1 77 77 ALA HA H 1 5.23 . . 1 . . . . . . . . 1756 1 459 . 1 1 77 77 ALA HB1 H 1 1.07 . . 1 . . . . . . . . 1756 1 460 . 1 1 77 77 ALA HB2 H 1 1.07 . . 1 . . . . . . . . 1756 1 461 . 1 1 77 77 ALA HB3 H 1 1.07 . . 1 . . . . . . . . 1756 1 462 . 1 1 78 78 PRO HA H 1 4.64 . . 1 . . . . . . . . 1756 1 463 . 1 1 78 78 PRO HB2 H 1 2.43 . . 1 . . . . . . . . 1756 1 464 . 1 1 78 78 PRO HB3 H 1 2.43 . . 1 . . . . . . . . 1756 1 465 . 1 1 78 78 PRO HD2 H 1 3.78 . . 2 . . . . . . . . 1756 1 466 . 1 1 78 78 PRO HD3 H 1 3.85 . . 2 . . . . . . . . 1756 1 467 . 1 1 79 79 GLY H H 1 8.86 . . 1 . . . . . . . . 1756 1 468 . 1 1 79 79 GLY HA2 H 1 4.11 . . 2 . . . . . . . . 1756 1 469 . 1 1 79 79 GLY HA3 H 1 3.77 . . 2 . . . . . . . . 1756 1 470 . 1 1 80 80 TYR H H 1 7.98 . . 1 . . . . . . . . 1756 1 471 . 1 1 80 80 TYR HA H 1 4.68 . . 1 . . . . . . . . 1756 1 472 . 1 1 80 80 TYR HB2 H 1 2.8 . . 2 . . . . . . . . 1756 1 473 . 1 1 80 80 TYR HB3 H 1 3.18 . . 2 . . . . . . . . 1756 1 474 . 1 1 80 80 TYR HD1 H 1 7.08 . . 1 . . . . . . . . 1756 1 475 . 1 1 80 80 TYR HD2 H 1 7.08 . . 1 . . . . . . . . 1756 1 476 . 1 1 80 80 TYR HE1 H 1 6.9 . . 1 . . . . . . . . 1756 1 477 . 1 1 80 80 TYR HE2 H 1 6.9 . . 1 . . . . . . . . 1756 1 478 . 1 1 81 81 GLU H H 1 8.55 . . 1 . . . . . . . . 1756 1 479 . 1 1 81 81 GLU HA H 1 4.34 . . 1 . . . . . . . . 1756 1 480 . 1 1 81 81 GLU HB2 H 1 2.01 . . 2 . . . . . . . . 1756 1 481 . 1 1 81 81 GLU HB3 H 1 2.03 . . 2 . . . . . . . . 1756 1 482 . 1 1 81 81 GLU HG2 H 1 2.4 . . 1 . . . . . . . . 1756 1 483 . 1 1 81 81 GLU HG3 H 1 2.4 . . 1 . . . . . . . . 1756 1 484 . 1 1 82 82 ASN H H 1 8.43 . . 1 . . . . . . . . 1756 1 485 . 1 1 82 82 ASN HA H 1 4.76 . . 1 . . . . . . . . 1756 1 486 . 1 1 82 82 ASN HB2 H 1 2.78 . . 2 . . . . . . . . 1756 1 487 . 1 1 82 82 ASN HB3 H 1 2.9 . . 2 . . . . . . . . 1756 1 488 . 1 1 83 83 MET H H 1 8.06 . . 1 . . . . . . . . 1756 1 489 . 1 1 83 83 MET HA H 1 4.55 . . 1 . . . . . . . . 1756 1 490 . 1 1 83 83 MET HB2 H 1 2.84 . . 2 . . . . . . . . 1756 1 491 . 1 1 83 83 MET HB3 H 1 2.86 . . 2 . . . . . . . . 1756 1 492 . 1 1 83 83 MET HG2 H 1 2.56 . . 1 . . . . . . . . 1756 1 493 . 1 1 83 83 MET HG3 H 1 2.56 . . 1 . . . . . . . . 1756 1 494 . 1 1 84 84 THR H H 1 7.97 . . 1 . . . . . . . . 1756 1 495 . 1 1 84 84 THR HA H 1 4.38 . . 1 . . . . . . . . 1756 1 496 . 1 1 84 84 THR HB H 1 4.18 . . 1 . . . . . . . . 1756 1 497 . 1 1 84 84 THR HG21 H 1 1.18 . . 1 . . . . . . . . 1756 1 498 . 1 1 84 84 THR HG22 H 1 1.18 . . 1 . . . . . . . . 1756 1 499 . 1 1 84 84 THR HG23 H 1 1.18 . . 1 . . . . . . . . 1756 1 500 . 1 1 85 85 PHE H H 1 7.8 . . 1 . . . . . . . . 1756 1 501 . 1 1 85 85 PHE HA H 1 4.5 . . 1 . . . . . . . . 1756 1 502 . 1 1 85 85 PHE HB2 H 1 2.97 . . 2 . . . . . . . . 1756 1 503 . 1 1 85 85 PHE HB3 H 1 3.23 . . 2 . . . . . . . . 1756 1 504 . 1 1 85 85 PHE HD1 H 1 7.29 . . 1 . . . . . . . . 1756 1 505 . 1 1 85 85 PHE HD2 H 1 7.29 . . 1 . . . . . . . . 1756 1 506 . 1 1 85 85 PHE HE1 H 1 7.36 . . 1 . . . . . . . . 1756 1 507 . 1 1 85 85 PHE HE2 H 1 7.36 . . 1 . . . . . . . . 1756 1 508 . 1 1 85 85 PHE HZ H 1 7.36 . . 1 . . . . . . . . 1756 1 stop_ save_