data_2049 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2049 _Entry.Title ; The Secondary Structure in Solution of Acyl-Coenzyme A Binding Protein from Bovine Liver Using 1H Nuclear Magnetic Resonance Spectroscopy ; _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 Kim Andersen . V. . 2049 2 Svend Ludvigsen . . . 2049 3 Susanne Mandrup . . . 2049 4 Jens Knudsen . . . 2049 5 Flemming Poulsen . M. . 2049 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2049 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 531 2049 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 . . 2010-06-16 . revision BMRB 'Complete natural source information' 2049 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2049 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2049 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2049 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2049 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Andersen, Kim V., Ludvigsen, Svend, Mandrup, Susanne, Knudsen, Jens, Poulsen, Flemming M., "The Secondary Structure in Solution of Acyl-Coenzyme A Binding Protein from Bovine Liver Using 1H Nuclear Magnetic Resonance Spectroscopy," Biochemistry 30 (44), 10654-10663 (1991). ; _Citation.Title ; The Secondary Structure in Solution of Acyl-Coenzyme A Binding Protein from Bovine Liver Using 1H Nuclear Magnetic Resonance Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 44 _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 10654 _Citation.Page_last 10663 _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 Kim Andersen . V. . 2049 1 2 Svend Ludvigsen . . . 2049 1 3 Susanne Mandrup . . . 2049 1 4 Jens Knudsen . . . 2049 1 5 Flemming Poulsen . M. . 2049 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_acyl-coenzyme_A_binding_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_acyl-coenzyme_A_binding_protein _Assembly.Entry_ID 2049 _Assembly.ID 1 _Assembly.Name 'acyl-coenzyme A binding protein' _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 'acyl-coenzyme A binding protein' 1 $acyl-coenzyme_A_binding_protein . . . . . . . . . 2049 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'acyl-coenzyme A binding protein' system 2049 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_acyl-coenzyme_A_binding_protein _Entity.Sf_category entity _Entity.Sf_framecode acyl-coenzyme_A_binding_protein _Entity.Entry_ID 2049 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'acyl-coenzyme A binding protein' _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 ; SQAEFDKAAEEVKHLKTKPA DEEMLFIYSHYKQATVGDIN TERPGMLDFKGKAKWDAWNE LKGTSKEDAMKAYIDKVEEL KKKYGI ; _Entity.Polymer_seq_one_letter_code ; SQAEFDKAAEEVKHLKTKPA DEEMLFIYSHYKQATVGDIN TERPGMLDFKGKAKWDAWNE LKGTSKEDAMKAYIDKVEEL KKKYGI ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 16419 . ACBP . . . . . 100.00 86 100.00 100.00 4.45e-54 . . . . 2049 1 2 no BMRB 2050 . "acyl-coenzyme A binding protein" . . . . . 100.00 86 100.00 100.00 4.45e-54 . . . . 2049 1 3 no PDB 1ACA . "Three-Dimensional Structure Of The Complex Between Acyl-Coenzyme A Binding Protein And Palmitoyl-Coenzyme A" . . . . . 100.00 86 100.00 100.00 4.45e-54 . . . . 2049 1 4 no PDB 1HB6 . "Structure Of Bovine Acyl-Coa Binding Protein In Orthorhombic Crystal Form" . . . . . 100.00 86 100.00 100.00 4.45e-54 . . . . 2049 1 5 no PDB 1HB8 . "Structure Of Bovine Acyl-Coa Binding Protein In Tetragonal Crystal Form" . . . . . 100.00 86 100.00 100.00 4.45e-54 . . . . 2049 1 6 no PDB 1NTI . "Rdc-Refined Nmr Structure Of Bovine Acyl-Coenzyme A Binding Protein, Acbp" . . . . . 100.00 86 100.00 100.00 4.45e-54 . . . . 2049 1 7 no PDB 1NVL . "Rdc-Refined Nmr Structure Of Bovine Acyl-Coenzyme A Binding Protein, Acbp, In Complex With Palmitoyl-Coenzyme A" . . . . . 100.00 86 100.00 100.00 4.45e-54 . . . . 2049 1 8 no PDB 2ABD . "The Three-Dimensional Structure Of Acyl-Coenzyme A Binding Protein From Bovine Liver. Structural Refinement Using Heteronuclear" . . . . . 100.00 86 100.00 100.00 4.45e-54 . . . . 2049 1 9 no EMBL CAA44618 . "acyl-CoA-binding protein /diazepam-binding inhibitor [synthetic construct]" . . . . . 100.00 87 100.00 100.00 4.24e-54 . . . . 2049 1 10 no GB AAA30495 . "endozepine precursor [Bos taurus]" . . . . . 100.00 87 100.00 100.00 4.24e-54 . . . . 2049 1 11 no GB AAI14182 . "Diazepam binding inhibitor (GABA receptor modulator, acyl-Coenzyme A binding protein) [Bos taurus]" . . . . . 100.00 87 100.00 100.00 4.24e-54 . . . . 2049 1 12 no GB AIM41257 . "acyl-CoA-binding protein [Bubalus bubalis]" . . . . . 100.00 87 98.84 98.84 4.66e-53 . . . . 2049 1 13 no GB ELR45212 . "Acyl-CoA-binding protein, partial [Bos mutus]" . . . . . 97.67 84 100.00 100.00 2.42e-52 . . . . 2049 1 14 no REF NP_001106792 . "acyl-CoA-binding protein [Bos taurus]" . . . . . 100.00 87 100.00 100.00 4.24e-54 . . . . 2049 1 15 no REF XP_004004799 . "PREDICTED: acyl-CoA-binding protein [Ovis aries]" . . . . . 100.00 87 97.67 98.84 8.04e-53 . . . . 2049 1 16 no REF XP_005910864 . "PREDICTED: acyl-CoA-binding protein isoform X2 [Bos mutus]" . . . . . 100.00 87 100.00 100.00 4.24e-54 . . . . 2049 1 17 no REF XP_006040065 . "PREDICTED: acyl-CoA-binding protein-like [Bubalus bubalis]" . . . . . 100.00 87 100.00 100.00 4.24e-54 . . . . 2049 1 18 no REF XP_006057227 . "PREDICTED: acyl-CoA-binding protein [Bubalus bubalis]" . . . . . 100.00 87 98.84 98.84 4.66e-53 . . . . 2049 1 19 no SP P07107 . "RecName: Full=Acyl-CoA-binding protein; Short=ACBP; AltName: Full=Diazepam-binding inhibitor; Short=DBI; AltName: Full=Endozepi" . . . . . 100.00 87 100.00 100.00 4.24e-54 . . . . 2049 1 20 no TPG DAA32604 . "TPA: acyl-CoA-binding protein [Bos taurus]" . . . . . 100.00 87 100.00 100.00 4.24e-54 . . . . 2049 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'acyl-coenzyme A binding protein' common 2049 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 . SER . 2049 1 2 . GLN . 2049 1 3 . ALA . 2049 1 4 . GLU . 2049 1 5 . PHE . 2049 1 6 . ASP . 2049 1 7 . LYS . 2049 1 8 . ALA . 2049 1 9 . ALA . 2049 1 10 . GLU . 2049 1 11 . GLU . 2049 1 12 . VAL . 2049 1 13 . LYS . 2049 1 14 . HIS . 2049 1 15 . LEU . 2049 1 16 . LYS . 2049 1 17 . THR . 2049 1 18 . LYS . 2049 1 19 . PRO . 2049 1 20 . ALA . 2049 1 21 . ASP . 2049 1 22 . GLU . 2049 1 23 . GLU . 2049 1 24 . MET . 2049 1 25 . LEU . 2049 1 26 . PHE . 2049 1 27 . ILE . 2049 1 28 . TYR . 2049 1 29 . SER . 2049 1 30 . HIS . 2049 1 31 . TYR . 2049 1 32 . LYS . 2049 1 33 . GLN . 2049 1 34 . ALA . 2049 1 35 . THR . 2049 1 36 . VAL . 2049 1 37 . GLY . 2049 1 38 . ASP . 2049 1 39 . ILE . 2049 1 40 . ASN . 2049 1 41 . THR . 2049 1 42 . GLU . 2049 1 43 . ARG . 2049 1 44 . PRO . 2049 1 45 . GLY . 2049 1 46 . MET . 2049 1 47 . LEU . 2049 1 48 . ASP . 2049 1 49 . PHE . 2049 1 50 . LYS . 2049 1 51 . GLY . 2049 1 52 . LYS . 2049 1 53 . ALA . 2049 1 54 . LYS . 2049 1 55 . TRP . 2049 1 56 . ASP . 2049 1 57 . ALA . 2049 1 58 . TRP . 2049 1 59 . ASN . 2049 1 60 . GLU . 2049 1 61 . LEU . 2049 1 62 . LYS . 2049 1 63 . GLY . 2049 1 64 . THR . 2049 1 65 . SER . 2049 1 66 . LYS . 2049 1 67 . GLU . 2049 1 68 . ASP . 2049 1 69 . ALA . 2049 1 70 . MET . 2049 1 71 . LYS . 2049 1 72 . ALA . 2049 1 73 . TYR . 2049 1 74 . ILE . 2049 1 75 . ASP . 2049 1 76 . LYS . 2049 1 77 . VAL . 2049 1 78 . GLU . 2049 1 79 . GLU . 2049 1 80 . LEU . 2049 1 81 . LYS . 2049 1 82 . LYS . 2049 1 83 . LYS . 2049 1 84 . TYR . 2049 1 85 . GLY . 2049 1 86 . ILE . 2049 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 . SER 1 1 2049 1 . GLN 2 2 2049 1 . ALA 3 3 2049 1 . GLU 4 4 2049 1 . PHE 5 5 2049 1 . ASP 6 6 2049 1 . LYS 7 7 2049 1 . ALA 8 8 2049 1 . ALA 9 9 2049 1 . GLU 10 10 2049 1 . GLU 11 11 2049 1 . VAL 12 12 2049 1 . LYS 13 13 2049 1 . HIS 14 14 2049 1 . LEU 15 15 2049 1 . LYS 16 16 2049 1 . THR 17 17 2049 1 . LYS 18 18 2049 1 . PRO 19 19 2049 1 . ALA 20 20 2049 1 . ASP 21 21 2049 1 . GLU 22 22 2049 1 . GLU 23 23 2049 1 . MET 24 24 2049 1 . LEU 25 25 2049 1 . PHE 26 26 2049 1 . ILE 27 27 2049 1 . TYR 28 28 2049 1 . SER 29 29 2049 1 . HIS 30 30 2049 1 . TYR 31 31 2049 1 . LYS 32 32 2049 1 . GLN 33 33 2049 1 . ALA 34 34 2049 1 . THR 35 35 2049 1 . VAL 36 36 2049 1 . GLY 37 37 2049 1 . ASP 38 38 2049 1 . ILE 39 39 2049 1 . ASN 40 40 2049 1 . THR 41 41 2049 1 . GLU 42 42 2049 1 . ARG 43 43 2049 1 . PRO 44 44 2049 1 . GLY 45 45 2049 1 . MET 46 46 2049 1 . LEU 47 47 2049 1 . ASP 48 48 2049 1 . PHE 49 49 2049 1 . LYS 50 50 2049 1 . GLY 51 51 2049 1 . LYS 52 52 2049 1 . ALA 53 53 2049 1 . LYS 54 54 2049 1 . TRP 55 55 2049 1 . ASP 56 56 2049 1 . ALA 57 57 2049 1 . TRP 58 58 2049 1 . ASN 59 59 2049 1 . GLU 60 60 2049 1 . LEU 61 61 2049 1 . LYS 62 62 2049 1 . GLY 63 63 2049 1 . THR 64 64 2049 1 . SER 65 65 2049 1 . LYS 66 66 2049 1 . GLU 67 67 2049 1 . ASP 68 68 2049 1 . ALA 69 69 2049 1 . MET 70 70 2049 1 . LYS 71 71 2049 1 . ALA 72 72 2049 1 . TYR 73 73 2049 1 . ILE 74 74 2049 1 . ASP 75 75 2049 1 . LYS 76 76 2049 1 . VAL 77 77 2049 1 . GLU 78 78 2049 1 . GLU 79 79 2049 1 . LEU 80 80 2049 1 . LYS 81 81 2049 1 . LYS 82 82 2049 1 . LYS 83 83 2049 1 . TYR 84 84 2049 1 . GLY 85 85 2049 1 . ILE 86 86 2049 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 2049 _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 $acyl-coenzyme_A_binding_protein . 9909 organism . 'Bos primigenius' cow . . Eukaryota Metazoa Bos primigenius generic . . . liver . . . . . . . . . . . . . . . . 2049 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 2049 _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 $acyl-coenzyme_A_binding_protein . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2049 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 2049 _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 2049 _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 7 . na 2049 1 temperature 298 . K 2049 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 2049 _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 2049 _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' . . 2049 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 2049 _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 . . . . . . . . . . . . . . . . 2049 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 2049 _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 CH3 . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 2049 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 2049 _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 . 2049 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 SER HA H 1 4.099 . . 1 . . . . . . . . 2049 1 2 . 1 1 1 1 SER HB2 H 1 4.027 . . 2 . . . . . . . . 2049 1 3 . 1 1 1 1 SER HB3 H 1 4.188 . . 2 . . . . . . . . 2049 1 4 . 1 1 2 2 GLN HG2 H 1 2.463 . . 1 . . . . . . . . 2049 1 5 . 1 1 2 2 GLN HG3 H 1 2.463 . . 1 . . . . . . . . 2049 1 6 . 1 1 2 2 GLN HE21 H 1 6.577 . . 2 . . . . . . . . 2049 1 7 . 1 1 2 2 GLN HE22 H 1 8.262 . . 2 . . . . . . . . 2049 1 8 . 1 1 3 3 ALA H H 1 8.558 . . 1 . . . . . . . . 2049 1 9 . 1 1 3 3 ALA HA H 1 4.286 . . 1 . . . . . . . . 2049 1 10 . 1 1 3 3 ALA HB1 H 1 1.462 . . 1 . . . . . . . . 2049 1 11 . 1 1 3 3 ALA HB2 H 1 1.462 . . 1 . . . . . . . . 2049 1 12 . 1 1 3 3 ALA HB3 H 1 1.462 . . 1 . . . . . . . . 2049 1 13 . 1 1 4 4 GLU H H 1 8.042 . . 1 . . . . . . . . 2049 1 14 . 1 1 4 4 GLU HA H 1 4.067 . . 1 . . . . . . . . 2049 1 15 . 1 1 4 4 GLU HB2 H 1 2.297 . . 2 . . . . . . . . 2049 1 16 . 1 1 4 4 GLU HB3 H 1 2.357 . . 2 . . . . . . . . 2049 1 17 . 1 1 5 5 PHE H H 1 8.401 . . 1 . . . . . . . . 2049 1 18 . 1 1 5 5 PHE HA H 1 4.26 . . 1 . . . . . . . . 2049 1 19 . 1 1 5 5 PHE HB2 H 1 3.102 . . 2 . . . . . . . . 2049 1 20 . 1 1 5 5 PHE HB3 H 1 3.376 . . 2 . . . . . . . . 2049 1 21 . 1 1 5 5 PHE HD1 H 1 7.206 . . 1 . . . . . . . . 2049 1 22 . 1 1 5 5 PHE HD2 H 1 7.206 . . 1 . . . . . . . . 2049 1 23 . 1 1 5 5 PHE HE1 H 1 6.491 . . 1 . . . . . . . . 2049 1 24 . 1 1 5 5 PHE HE2 H 1 6.491 . . 1 . . . . . . . . 2049 1 25 . 1 1 5 5 PHE HZ H 1 6.366 . . 1 . . . . . . . . 2049 1 26 . 1 1 6 6 ASP H H 1 8.902 . . 1 . . . . . . . . 2049 1 27 . 1 1 6 6 ASP HA H 1 4.268 . . 1 . . . . . . . . 2049 1 28 . 1 1 6 6 ASP HB2 H 1 2.762 . . 2 . . . . . . . . 2049 1 29 . 1 1 6 6 ASP HB3 H 1 2.679 . . 2 . . . . . . . . 2049 1 30 . 1 1 7 7 LYS H H 1 7.768 . . 1 . . . . . . . . 2049 1 31 . 1 1 7 7 LYS HA H 1 4.167 . . 1 . . . . . . . . 2049 1 32 . 1 1 7 7 LYS HB2 H 1 1.906 . . 2 . . . . . . . . 2049 1 33 . 1 1 7 7 LYS HB3 H 1 2.006 . . 2 . . . . . . . . 2049 1 34 . 1 1 8 8 ALA H H 1 8.061 . . 1 . . . . . . . . 2049 1 35 . 1 1 8 8 ALA HA H 1 4.325 . . 1 . . . . . . . . 2049 1 36 . 1 1 8 8 ALA HB1 H 1 1.704 . . 1 . . . . . . . . 2049 1 37 . 1 1 8 8 ALA HB2 H 1 1.704 . . 1 . . . . . . . . 2049 1 38 . 1 1 8 8 ALA HB3 H 1 1.704 . . 1 . . . . . . . . 2049 1 39 . 1 1 9 9 ALA H H 1 8.409 . . 1 . . . . . . . . 2049 1 40 . 1 1 9 9 ALA HA H 1 4.816 . . 1 . . . . . . . . 2049 1 41 . 1 1 9 9 ALA HB1 H 1 1.215 . . 1 . . . . . . . . 2049 1 42 . 1 1 9 9 ALA HB2 H 1 1.215 . . 1 . . . . . . . . 2049 1 43 . 1 1 9 9 ALA HB3 H 1 1.215 . . 1 . . . . . . . . 2049 1 44 . 1 1 10 10 GLU H H 1 7.429 . . 1 . . . . . . . . 2049 1 45 . 1 1 10 10 GLU HA H 1 4.298 . . 1 . . . . . . . . 2049 1 46 . 1 1 10 10 GLU HB2 H 1 2.199 . . 1 . . . . . . . . 2049 1 47 . 1 1 10 10 GLU HB3 H 1 2.199 . . 1 . . . . . . . . 2049 1 48 . 1 1 11 11 GLU H H 1 8.506 . . 1 . . . . . . . . 2049 1 49 . 1 1 11 11 GLU HA H 1 3.948 . . 1 . . . . . . . . 2049 1 50 . 1 1 11 11 GLU HB2 H 1 1.699 . . 2 . . . . . . . . 2049 1 51 . 1 1 11 11 GLU HB3 H 1 2.276 . . 2 . . . . . . . . 2049 1 52 . 1 1 11 11 GLU HG2 H 1 2.448 . . 2 . . . . . . . . 2049 1 53 . 1 1 11 11 GLU HG3 H 1 2.707 . . 2 . . . . . . . . 2049 1 54 . 1 1 12 12 VAL H H 1 8.147 . . 1 . . . . . . . . 2049 1 55 . 1 1 12 12 VAL HA H 1 3.646 . . 1 . . . . . . . . 2049 1 56 . 1 1 12 12 VAL HB H 1 2.219 . . 1 . . . . . . . . 2049 1 57 . 1 1 12 12 VAL HG11 H 1 .926 . . 2 . . . . . . . . 2049 1 58 . 1 1 12 12 VAL HG12 H 1 .926 . . 2 . . . . . . . . 2049 1 59 . 1 1 12 12 VAL HG13 H 1 .926 . . 2 . . . . . . . . 2049 1 60 . 1 1 12 12 VAL HG21 H 1 1.04 . . 2 . . . . . . . . 2049 1 61 . 1 1 12 12 VAL HG22 H 1 1.04 . . 2 . . . . . . . . 2049 1 62 . 1 1 12 12 VAL HG23 H 1 1.04 . . 2 . . . . . . . . 2049 1 63 . 1 1 13 13 LYS H H 1 7.103 . . 1 . . . . . . . . 2049 1 64 . 1 1 13 13 LYS HA H 1 3.992 . . 1 . . . . . . . . 2049 1 65 . 1 1 13 13 LYS HB2 H 1 1.457 . . 2 . . . . . . . . 2049 1 66 . 1 1 13 13 LYS HB3 H 1 1.601 . . 2 . . . . . . . . 2049 1 67 . 1 1 14 14 HIS H H 1 7.971 . . 1 . . . . . . . . 2049 1 68 . 1 1 14 14 HIS HA H 1 4.745 . . 1 . . . . . . . . 2049 1 69 . 1 1 14 14 HIS HB2 H 1 3.028 . . 2 . . . . . . . . 2049 1 70 . 1 1 14 14 HIS HB3 H 1 3.565 . . 2 . . . . . . . . 2049 1 71 . 1 1 14 14 HIS HD2 H 1 7.358 . . 1 . . . . . . . . 2049 1 72 . 1 1 14 14 HIS HE1 H 1 8.154 . . 1 . . . . . . . . 2049 1 73 . 1 1 15 15 LEU H H 1 6.914 . . 1 . . . . . . . . 2049 1 74 . 1 1 15 15 LEU HA H 1 4.706 . . 1 . . . . . . . . 2049 1 75 . 1 1 15 15 LEU HB2 H 1 1.583 . . 2 . . . . . . . . 2049 1 76 . 1 1 15 15 LEU HB3 H 1 1.777 . . 2 . . . . . . . . 2049 1 77 . 1 1 15 15 LEU HG H 1 2.094 . . 1 . . . . . . . . 2049 1 78 . 1 1 15 15 LEU HD11 H 1 .878 . . 2 . . . . . . . . 2049 1 79 . 1 1 15 15 LEU HD12 H 1 .878 . . 2 . . . . . . . . 2049 1 80 . 1 1 15 15 LEU HD13 H 1 .878 . . 2 . . . . . . . . 2049 1 81 . 1 1 15 15 LEU HD21 H 1 1.019 . . 2 . . . . . . . . 2049 1 82 . 1 1 15 15 LEU HD22 H 1 1.019 . . 2 . . . . . . . . 2049 1 83 . 1 1 15 15 LEU HD23 H 1 1.019 . . 2 . . . . . . . . 2049 1 84 . 1 1 16 16 LYS H H 1 8.475 . . 1 . . . . . . . . 2049 1 85 . 1 1 16 16 LYS HA H 1 3.954 . . 1 . . . . . . . . 2049 1 86 . 1 1 16 16 LYS HB2 H 1 1.933 . . 1 . . . . . . . . 2049 1 87 . 1 1 16 16 LYS HB3 H 1 1.933 . . 1 . . . . . . . . 2049 1 88 . 1 1 17 17 THR H H 1 7.122 . . 1 . . . . . . . . 2049 1 89 . 1 1 17 17 THR HA H 1 4.283 . . 1 . . . . . . . . 2049 1 90 . 1 1 17 17 THR HB H 1 3.803 . . 1 . . . . . . . . 2049 1 91 . 1 1 17 17 THR HG21 H 1 1.147 . . 1 . . . . . . . . 2049 1 92 . 1 1 17 17 THR HG22 H 1 1.147 . . 1 . . . . . . . . 2049 1 93 . 1 1 17 17 THR HG23 H 1 1.147 . . 1 . . . . . . . . 2049 1 94 . 1 1 18 18 LYS H H 1 7.889 . . 1 . . . . . . . . 2049 1 95 . 1 1 18 18 LYS HA H 1 4.263 . . 1 . . . . . . . . 2049 1 96 . 1 1 18 18 LYS HB2 H 1 1.662 . . 1 . . . . . . . . 2049 1 97 . 1 1 18 18 LYS HB3 H 1 1.662 . . 1 . . . . . . . . 2049 1 98 . 1 1 19 19 PRO HA H 1 3.881 . . 1 . . . . . . . . 2049 1 99 . 1 1 19 19 PRO HB2 H 1 1.683 . . 2 . . . . . . . . 2049 1 100 . 1 1 19 19 PRO HB3 H 1 2.353 . . 2 . . . . . . . . 2049 1 101 . 1 1 19 19 PRO HG2 H 1 1.781 . . 2 . . . . . . . . 2049 1 102 . 1 1 19 19 PRO HG3 H 1 1.519 . . 2 . . . . . . . . 2049 1 103 . 1 1 19 19 PRO HD2 H 1 3.428 . . 2 . . . . . . . . 2049 1 104 . 1 1 19 19 PRO HD3 H 1 4.037 . . 2 . . . . . . . . 2049 1 105 . 1 1 20 20 ALA H H 1 8.189 . . 1 . . . . . . . . 2049 1 106 . 1 1 20 20 ALA HA H 1 4.361 . . 1 . . . . . . . . 2049 1 107 . 1 1 20 20 ALA HB1 H 1 1.574 . . 1 . . . . . . . . 2049 1 108 . 1 1 20 20 ALA HB2 H 1 1.574 . . 1 . . . . . . . . 2049 1 109 . 1 1 20 20 ALA HB3 H 1 1.574 . . 1 . . . . . . . . 2049 1 110 . 1 1 21 21 ASP H H 1 9.12 . . 1 . . . . . . . . 2049 1 111 . 1 1 21 21 ASP HA H 1 4.32 . . 1 . . . . . . . . 2049 1 112 . 1 1 21 21 ASP HB2 H 1 2.685 . . 2 . . . . . . . . 2049 1 113 . 1 1 21 21 ASP HB3 H 1 2.622 . . 2 . . . . . . . . 2049 1 114 . 1 1 22 22 GLU H H 1 9.583 . . 1 . . . . . . . . 2049 1 115 . 1 1 22 22 GLU HA H 1 4.136 . . 1 . . . . . . . . 2049 1 116 . 1 1 22 22 GLU HB2 H 1 2.133 . . 1 . . . . . . . . 2049 1 117 . 1 1 22 22 GLU HB3 H 1 2.133 . . 1 . . . . . . . . 2049 1 118 . 1 1 22 22 GLU HG2 H 1 2.42 . . 1 . . . . . . . . 2049 1 119 . 1 1 22 22 GLU HG3 H 1 2.42 . . 1 . . . . . . . . 2049 1 120 . 1 1 23 23 GLU H H 1 7.085 . . 1 . . . . . . . . 2049 1 121 . 1 1 23 23 GLU HA H 1 4.214 . . 1 . . . . . . . . 2049 1 122 . 1 1 23 23 GLU HB2 H 1 2.132 . . 2 . . . . . . . . 2049 1 123 . 1 1 23 23 GLU HB3 H 1 2.704 . . 2 . . . . . . . . 2049 1 124 . 1 1 23 23 GLU HG2 H 1 1.847 . . 1 . . . . . . . . 2049 1 125 . 1 1 23 23 GLU HG3 H 1 1.847 . . 1 . . . . . . . . 2049 1 126 . 1 1 24 24 MET H H 1 8.304 . . 1 . . . . . . . . 2049 1 127 . 1 1 24 24 MET HA H 1 4.421 . . 1 . . . . . . . . 2049 1 128 . 1 1 24 24 MET HB2 H 1 2.261 . . 2 . . . . . . . . 2049 1 129 . 1 1 24 24 MET HB3 H 1 2.23 . . 2 . . . . . . . . 2049 1 130 . 1 1 24 24 MET HG2 H 1 2.46 . . 2 . . . . . . . . 2049 1 131 . 1 1 24 24 MET HG3 H 1 2.743 . . 2 . . . . . . . . 2049 1 132 . 1 1 25 25 LEU H H 1 8.574 . . 1 . . . . . . . . 2049 1 133 . 1 1 25 25 LEU HA H 1 4.278 . . 1 . . . . . . . . 2049 1 134 . 1 1 25 25 LEU HB2 H 1 1.562 . . 2 . . . . . . . . 2049 1 135 . 1 1 25 25 LEU HB3 H 1 2.052 . . 2 . . . . . . . . 2049 1 136 . 1 1 25 25 LEU HG H 1 1.883 . . 1 . . . . . . . . 2049 1 137 . 1 1 25 25 LEU HD11 H 1 .871 . . 2 . . . . . . . . 2049 1 138 . 1 1 25 25 LEU HD12 H 1 .871 . . 2 . . . . . . . . 2049 1 139 . 1 1 25 25 LEU HD13 H 1 .871 . . 2 . . . . . . . . 2049 1 140 . 1 1 25 25 LEU HD21 H 1 .993 . . 2 . . . . . . . . 2049 1 141 . 1 1 25 25 LEU HD22 H 1 .993 . . 2 . . . . . . . . 2049 1 142 . 1 1 25 25 LEU HD23 H 1 .993 . . 2 . . . . . . . . 2049 1 143 . 1 1 26 26 PHE H H 1 7.863 . . 1 . . . . . . . . 2049 1 144 . 1 1 26 26 PHE HA H 1 4.356 . . 1 . . . . . . . . 2049 1 145 . 1 1 26 26 PHE HB2 H 1 3.325 . . 2 . . . . . . . . 2049 1 146 . 1 1 26 26 PHE HB3 H 1 3.64 . . 2 . . . . . . . . 2049 1 147 . 1 1 26 26 PHE HD1 H 1 7.088 . . 1 . . . . . . . . 2049 1 148 . 1 1 26 26 PHE HD2 H 1 7.088 . . 1 . . . . . . . . 2049 1 149 . 1 1 26 26 PHE HE1 H 1 7.008 . . 1 . . . . . . . . 2049 1 150 . 1 1 26 26 PHE HE2 H 1 7.008 . . 1 . . . . . . . . 2049 1 151 . 1 1 26 26 PHE HZ H 1 6.874 . . 1 . . . . . . . . 2049 1 152 . 1 1 27 27 ILE H H 1 8.418 . . 1 . . . . . . . . 2049 1 153 . 1 1 27 27 ILE HA H 1 4.083 . . 1 . . . . . . . . 2049 1 154 . 1 1 27 27 ILE HB H 1 2.496 . . 1 . . . . . . . . 2049 1 155 . 1 1 27 27 ILE HG12 H 1 1.388 . . 2 . . . . . . . . 2049 1 156 . 1 1 27 27 ILE HG13 H 1 1.773 . . 2 . . . . . . . . 2049 1 157 . 1 1 27 27 ILE HG21 H 1 1.106 . . 1 . . . . . . . . 2049 1 158 . 1 1 27 27 ILE HG22 H 1 1.106 . . 1 . . . . . . . . 2049 1 159 . 1 1 27 27 ILE HG23 H 1 1.106 . . 1 . . . . . . . . 2049 1 160 . 1 1 27 27 ILE HD11 H 1 .503 . . 1 . . . . . . . . 2049 1 161 . 1 1 27 27 ILE HD12 H 1 .503 . . 1 . . . . . . . . 2049 1 162 . 1 1 27 27 ILE HD13 H 1 .503 . . 1 . . . . . . . . 2049 1 163 . 1 1 28 28 TYR H H 1 8.927 . . 1 . . . . . . . . 2049 1 164 . 1 1 28 28 TYR HA H 1 4.26 . . 1 . . . . . . . . 2049 1 165 . 1 1 28 28 TYR HB2 H 1 3.019 . . 2 . . . . . . . . 2049 1 166 . 1 1 28 28 TYR HB3 H 1 3.434 . . 2 . . . . . . . . 2049 1 167 . 1 1 28 28 TYR HD1 H 1 7.049 . . 1 . . . . . . . . 2049 1 168 . 1 1 28 28 TYR HD2 H 1 7.049 . . 1 . . . . . . . . 2049 1 169 . 1 1 28 28 TYR HE1 H 1 6.873 . . 1 . . . . . . . . 2049 1 170 . 1 1 28 28 TYR HE2 H 1 6.873 . . 1 . . . . . . . . 2049 1 171 . 1 1 29 29 SER H H 1 8.456 . . 1 . . . . . . . . 2049 1 172 . 1 1 29 29 SER HA H 1 3.32 . . 1 . . . . . . . . 2049 1 173 . 1 1 29 29 SER HB2 H 1 3.7 . . 2 . . . . . . . . 2049 1 174 . 1 1 29 29 SER HB3 H 1 4.001 . . 2 . . . . . . . . 2049 1 175 . 1 1 29 29 SER HG H 1 5.011 . . 1 . . . . . . . . 2049 1 176 . 1 1 30 30 HIS H H 1 8.189 . . 1 . . . . . . . . 2049 1 177 . 1 1 30 30 HIS HA H 1 3.85 . . 1 . . . . . . . . 2049 1 178 . 1 1 30 30 HIS HB2 H 1 3.163 . . 2 . . . . . . . . 2049 1 179 . 1 1 30 30 HIS HB3 H 1 3.422 . . 2 . . . . . . . . 2049 1 180 . 1 1 30 30 HIS HD2 H 1 6.888 . . 1 . . . . . . . . 2049 1 181 . 1 1 31 31 TYR H H 1 8.675 . . 1 . . . . . . . . 2049 1 182 . 1 1 31 31 TYR HA H 1 3.673 . . 1 . . . . . . . . 2049 1 183 . 1 1 31 31 TYR HB2 H 1 3.059 . . 2 . . . . . . . . 2049 1 184 . 1 1 31 31 TYR HB3 H 1 3.47 . . 2 . . . . . . . . 2049 1 185 . 1 1 31 31 TYR HD1 H 1 6.523 . . 1 . . . . . . . . 2049 1 186 . 1 1 31 31 TYR HD2 H 1 6.523 . . 1 . . . . . . . . 2049 1 187 . 1 1 31 31 TYR HE1 H 1 6.575 . . 1 . . . . . . . . 2049 1 188 . 1 1 31 31 TYR HE2 H 1 6.575 . . 1 . . . . . . . . 2049 1 189 . 1 1 32 32 LYS H H 1 7.652 . . 1 . . . . . . . . 2049 1 190 . 1 1 32 32 LYS HA H 1 3.201 . . 1 . . . . . . . . 2049 1 191 . 1 1 32 32 LYS HB2 H 1 .661 . . 2 . . . . . . . . 2049 1 192 . 1 1 32 32 LYS HB3 H 1 .143 . . 2 . . . . . . . . 2049 1 193 . 1 1 32 32 LYS HG2 H 1 .045 . . 2 . . . . . . . . 2049 1 194 . 1 1 32 32 LYS HG3 H 1 .538 . . 2 . . . . . . . . 2049 1 195 . 1 1 32 32 LYS HD2 H 1 .792 . . 2 . . . . . . . . 2049 1 196 . 1 1 32 32 LYS HD3 H 1 1.128 . . 2 . . . . . . . . 2049 1 197 . 1 1 32 32 LYS HE2 H 1 2.476 . . 1 . . . . . . . . 2049 1 198 . 1 1 32 32 LYS HE3 H 1 2.476 . . 1 . . . . . . . . 2049 1 199 . 1 1 33 33 GLN H H 1 7.943 . . 1 . . . . . . . . 2049 1 200 . 1 1 33 33 GLN HA H 1 4.121 . . 1 . . . . . . . . 2049 1 201 . 1 1 33 33 GLN HB2 H 1 1.42 . . 1 . . . . . . . . 2049 1 202 . 1 1 33 33 GLN HB3 H 1 1.42 . . 1 . . . . . . . . 2049 1 203 . 1 1 33 33 GLN HG2 H 1 2.376 . . 1 . . . . . . . . 2049 1 204 . 1 1 33 33 GLN HG3 H 1 2.376 . . 1 . . . . . . . . 2049 1 205 . 1 1 34 34 ALA H H 1 7.607 . . 1 . . . . . . . . 2049 1 206 . 1 1 34 34 ALA HA H 1 3.989 . . 1 . . . . . . . . 2049 1 207 . 1 1 34 34 ALA HB1 H 1 .85 . . 1 . . . . . . . . 2049 1 208 . 1 1 34 34 ALA HB2 H 1 .85 . . 1 . . . . . . . . 2049 1 209 . 1 1 34 34 ALA HB3 H 1 .85 . . 1 . . . . . . . . 2049 1 210 . 1 1 35 35 THR H H 1 7.128 . . 1 . . . . . . . . 2049 1 211 . 1 1 35 35 THR HA H 1 4.084 . . 1 . . . . . . . . 2049 1 212 . 1 1 35 35 THR HB H 1 3.898 . . 1 . . . . . . . . 2049 1 213 . 1 1 35 35 THR HG1 H 1 4.459 . . 1 . . . . . . . . 2049 1 214 . 1 1 35 35 THR HG21 H 1 .721 . . 1 . . . . . . . . 2049 1 215 . 1 1 35 35 THR HG22 H 1 .721 . . 1 . . . . . . . . 2049 1 216 . 1 1 35 35 THR HG23 H 1 .721 . . 1 . . . . . . . . 2049 1 217 . 1 1 36 36 VAL H H 1 8.543 . . 1 . . . . . . . . 2049 1 218 . 1 1 36 36 VAL HA H 1 3.901 . . 1 . . . . . . . . 2049 1 219 . 1 1 36 36 VAL HB H 1 2.203 . . 1 . . . . . . . . 2049 1 220 . 1 1 36 36 VAL HG11 H 1 .997 . . 2 . . . . . . . . 2049 1 221 . 1 1 36 36 VAL HG12 H 1 .997 . . 2 . . . . . . . . 2049 1 222 . 1 1 36 36 VAL HG13 H 1 .997 . . 2 . . . . . . . . 2049 1 223 . 1 1 36 36 VAL HG21 H 1 1.06 . . 2 . . . . . . . . 2049 1 224 . 1 1 36 36 VAL HG22 H 1 1.06 . . 2 . . . . . . . . 2049 1 225 . 1 1 36 36 VAL HG23 H 1 1.06 . . 2 . . . . . . . . 2049 1 226 . 1 1 37 37 GLY H H 1 7.797 . . 1 . . . . . . . . 2049 1 227 . 1 1 37 37 GLY HA2 H 1 3.999 . . 2 . . . . . . . . 2049 1 228 . 1 1 37 37 GLY HA3 H 1 4.326 . . 2 . . . . . . . . 2049 1 229 . 1 1 38 38 ASP H H 1 8.15 . . 1 . . . . . . . . 2049 1 230 . 1 1 38 38 ASP HA H 1 4.468 . . 1 . . . . . . . . 2049 1 231 . 1 1 38 38 ASP HB2 H 1 2.508 . . 2 . . . . . . . . 2049 1 232 . 1 1 38 38 ASP HB3 H 1 2.469 . . 2 . . . . . . . . 2049 1 233 . 1 1 39 39 ILE H H 1 8.236 . . 1 . . . . . . . . 2049 1 234 . 1 1 39 39 ILE HA H 1 2.264 . . 1 . . . . . . . . 2049 1 235 . 1 1 39 39 ILE HB H 1 -.567 . . 1 . . . . . . . . 2049 1 236 . 1 1 39 39 ILE HG12 H 1 .516 . . 2 . . . . . . . . 2049 1 237 . 1 1 39 39 ILE HG13 H 1 .063 . . 2 . . . . . . . . 2049 1 238 . 1 1 39 39 ILE HG21 H 1 .377 . . 1 . . . . . . . . 2049 1 239 . 1 1 39 39 ILE HG22 H 1 .377 . . 1 . . . . . . . . 2049 1 240 . 1 1 39 39 ILE HG23 H 1 .377 . . 1 . . . . . . . . 2049 1 241 . 1 1 39 39 ILE HD11 H 1 -.806 . . 1 . . . . . . . . 2049 1 242 . 1 1 39 39 ILE HD12 H 1 -.806 . . 1 . . . . . . . . 2049 1 243 . 1 1 39 39 ILE HD13 H 1 -.806 . . 1 . . . . . . . . 2049 1 244 . 1 1 40 40 ASN H H 1 6.671 . . 1 . . . . . . . . 2049 1 245 . 1 1 40 40 ASN HA H 1 4.767 . . 1 . . . . . . . . 2049 1 246 . 1 1 40 40 ASN HB2 H 1 2.581 . . 2 . . . . . . . . 2049 1 247 . 1 1 40 40 ASN HB3 H 1 3.119 . . 2 . . . . . . . . 2049 1 248 . 1 1 40 40 ASN HD21 H 1 6.471 . . 2 . . . . . . . . 2049 1 249 . 1 1 40 40 ASN HD22 H 1 7.552 . . 2 . . . . . . . . 2049 1 250 . 1 1 41 41 THR H H 1 7.128 . . 1 . . . . . . . . 2049 1 251 . 1 1 41 41 THR HA H 1 4.745 . . 1 . . . . . . . . 2049 1 252 . 1 1 41 41 THR HB H 1 4.509 . . 1 . . . . . . . . 2049 1 253 . 1 1 41 41 THR HG21 H 1 1.404 . . 1 . . . . . . . . 2049 1 254 . 1 1 41 41 THR HG22 H 1 1.404 . . 1 . . . . . . . . 2049 1 255 . 1 1 41 41 THR HG23 H 1 1.404 . . 1 . . . . . . . . 2049 1 256 . 1 1 42 42 GLU H H 1 8.731 . . 1 . . . . . . . . 2049 1 257 . 1 1 42 42 GLU HA H 1 4.331 . . 1 . . . . . . . . 2049 1 258 . 1 1 42 42 GLU HB2 H 1 1.831 . . 2 . . . . . . . . 2049 1 259 . 1 1 42 42 GLU HB3 H 1 1.882 . . 2 . . . . . . . . 2049 1 260 . 1 1 42 42 GLU HG2 H 1 2.263 . . 1 . . . . . . . . 2049 1 261 . 1 1 42 42 GLU HG3 H 1 2.263 . . 1 . . . . . . . . 2049 1 262 . 1 1 43 43 ARG H H 1 8.163 . . 1 . . . . . . . . 2049 1 263 . 1 1 43 43 ARG HA H 1 2.37 . . 1 . . . . . . . . 2049 1 264 . 1 1 43 43 ARG HB2 H 1 .154 . . 2 . . . . . . . . 2049 1 265 . 1 1 43 43 ARG HB3 H 1 .902 . . 2 . . . . . . . . 2049 1 266 . 1 1 43 43 ARG HG2 H 1 .62 . . 2 . . . . . . . . 2049 1 267 . 1 1 43 43 ARG HG3 H 1 1.269 . . 2 . . . . . . . . 2049 1 268 . 1 1 43 43 ARG HD2 H 1 2.605 . . 2 . . . . . . . . 2049 1 269 . 1 1 43 43 ARG HD3 H 1 2.833 . . 2 . . . . . . . . 2049 1 270 . 1 1 44 44 PRO HA H 1 4.329 . . 1 . . . . . . . . 2049 1 271 . 1 1 44 44 PRO HB2 H 1 1.807 . . 2 . . . . . . . . 2049 1 272 . 1 1 44 44 PRO HB3 H 1 2.528 . . 2 . . . . . . . . 2049 1 273 . 1 1 44 44 PRO HG2 H 1 1.858 . . 2 . . . . . . . . 2049 1 274 . 1 1 44 44 PRO HG3 H 1 1.623 . . 2 . . . . . . . . 2049 1 275 . 1 1 44 44 PRO HD2 H 1 2.891 . . 2 . . . . . . . . 2049 1 276 . 1 1 44 44 PRO HD3 H 1 3.652 . . 2 . . . . . . . . 2049 1 277 . 1 1 45 45 GLY H H 1 8.329 . . 1 . . . . . . . . 2049 1 278 . 1 1 45 45 GLY HA2 H 1 3.752 . . 2 . . . . . . . . 2049 1 279 . 1 1 45 45 GLY HA3 H 1 4.006 . . 2 . . . . . . . . 2049 1 280 . 1 1 46 46 MET H H 1 8.106 . . 1 . . . . . . . . 2049 1 281 . 1 1 46 46 MET HA H 1 3.968 . . 1 . . . . . . . . 2049 1 282 . 1 1 46 46 MET HB2 H 1 2.079 . . 2 . . . . . . . . 2049 1 283 . 1 1 46 46 MET HB3 H 1 2.009 . . 2 . . . . . . . . 2049 1 284 . 1 1 46 46 MET HG2 H 1 2.574 . . 1 . . . . . . . . 2049 1 285 . 1 1 46 46 MET HG3 H 1 2.574 . . 1 . . . . . . . . 2049 1 286 . 1 1 47 47 LEU H H 1 8.2 . . 1 . . . . . . . . 2049 1 287 . 1 1 47 47 LEU HA H 1 4.156 . . 1 . . . . . . . . 2049 1 288 . 1 1 47 47 LEU HB2 H 1 1.622 . . 1 . . . . . . . . 2049 1 289 . 1 1 47 47 LEU HB3 H 1 1.622 . . 1 . . . . . . . . 2049 1 290 . 1 1 47 47 LEU HG H 1 1.597 . . 1 . . . . . . . . 2049 1 291 . 1 1 47 47 LEU HD11 H 1 .896 . . 2 . . . . . . . . 2049 1 292 . 1 1 47 47 LEU HD12 H 1 .896 . . 2 . . . . . . . . 2049 1 293 . 1 1 47 47 LEU HD13 H 1 .896 . . 2 . . . . . . . . 2049 1 294 . 1 1 47 47 LEU HD21 H 1 .932 . . 2 . . . . . . . . 2049 1 295 . 1 1 47 47 LEU HD22 H 1 .932 . . 2 . . . . . . . . 2049 1 296 . 1 1 47 47 LEU HD23 H 1 .932 . . 2 . . . . . . . . 2049 1 297 . 1 1 48 48 ASP H H 1 7.527 . . 1 . . . . . . . . 2049 1 298 . 1 1 48 48 ASP HA H 1 4.771 . . 1 . . . . . . . . 2049 1 299 . 1 1 48 48 ASP HB2 H 1 2.407 . . 2 . . . . . . . . 2049 1 300 . 1 1 48 48 ASP HB3 H 1 2.998 . . 2 . . . . . . . . 2049 1 301 . 1 1 49 49 PHE H H 1 7.734 . . 1 . . . . . . . . 2049 1 302 . 1 1 49 49 PHE HA H 1 4.175 . . 1 . . . . . . . . 2049 1 303 . 1 1 49 49 PHE HB2 H 1 3.126 . . 2 . . . . . . . . 2049 1 304 . 1 1 49 49 PHE HB3 H 1 3.255 . . 2 . . . . . . . . 2049 1 305 . 1 1 49 49 PHE HD1 H 1 7.34 . . 1 . . . . . . . . 2049 1 306 . 1 1 49 49 PHE HD2 H 1 7.34 . . 1 . . . . . . . . 2049 1 307 . 1 1 49 49 PHE HE1 H 1 7.476 . . 1 . . . . . . . . 2049 1 308 . 1 1 49 49 PHE HE2 H 1 7.476 . . 1 . . . . . . . . 2049 1 309 . 1 1 49 49 PHE HZ H 1 7.402 . . 1 . . . . . . . . 2049 1 310 . 1 1 50 50 LYS H H 1 8.838 . . 1 . . . . . . . . 2049 1 311 . 1 1 50 50 LYS HA H 1 4.139 . . 1 . . . . . . . . 2049 1 312 . 1 1 50 50 LYS HB2 H 1 1.789 . . 1 . . . . . . . . 2049 1 313 . 1 1 50 50 LYS HB3 H 1 1.789 . . 1 . . . . . . . . 2049 1 314 . 1 1 51 51 GLY H H 1 8.198 . . 1 . . . . . . . . 2049 1 315 . 1 1 51 51 GLY HA2 H 1 3.854 . . 2 . . . . . . . . 2049 1 316 . 1 1 51 51 GLY HA3 H 1 3.907 . . 2 . . . . . . . . 2049 1 317 . 1 1 52 52 LYS H H 1 8.736 . . 1 . . . . . . . . 2049 1 318 . 1 1 52 52 LYS HA H 1 3.907 . . 1 . . . . . . . . 2049 1 319 . 1 1 52 52 LYS HB2 H 1 1.332 . . 2 . . . . . . . . 2049 1 320 . 1 1 52 52 LYS HB3 H 1 1.857 . . 2 . . . . . . . . 2049 1 321 . 1 1 53 53 ALA H H 1 7.693 . . 1 . . . . . . . . 2049 1 322 . 1 1 53 53 ALA HA H 1 4.34 . . 1 . . . . . . . . 2049 1 323 . 1 1 53 53 ALA HB1 H 1 1.575 . . 1 . . . . . . . . 2049 1 324 . 1 1 53 53 ALA HB2 H 1 1.575 . . 1 . . . . . . . . 2049 1 325 . 1 1 53 53 ALA HB3 H 1 1.575 . . 1 . . . . . . . . 2049 1 326 . 1 1 54 54 LYS H H 1 7.595 . . 1 . . . . . . . . 2049 1 327 . 1 1 54 54 LYS HA H 1 3.822 . . 1 . . . . . . . . 2049 1 328 . 1 1 54 54 LYS HB2 H 1 1.668 . . 1 . . . . . . . . 2049 1 329 . 1 1 54 54 LYS HB3 H 1 1.668 . . 1 . . . . . . . . 2049 1 330 . 1 1 54 54 LYS HG2 H 1 .632 . . 2 . . . . . . . . 2049 1 331 . 1 1 54 54 LYS HG3 H 1 1.536 . . 2 . . . . . . . . 2049 1 332 . 1 1 54 54 LYS HD2 H 1 .995 . . 2 . . . . . . . . 2049 1 333 . 1 1 54 54 LYS HD3 H 1 1.169 . . 2 . . . . . . . . 2049 1 334 . 1 1 55 55 TRP H H 1 8.101 . . 1 . . . . . . . . 2049 1 335 . 1 1 55 55 TRP HA H 1 4.343 . . 1 . . . . . . . . 2049 1 336 . 1 1 55 55 TRP HB2 H 1 3.297 . . 2 . . . . . . . . 2049 1 337 . 1 1 55 55 TRP HB3 H 1 3.519 . . 2 . . . . . . . . 2049 1 338 . 1 1 55 55 TRP HD1 H 1 7.087 . . 1 . . . . . . . . 2049 1 339 . 1 1 55 55 TRP HE1 H 1 9.218 . . 1 . . . . . . . . 2049 1 340 . 1 1 55 55 TRP HE3 H 1 8.033 . . 1 . . . . . . . . 2049 1 341 . 1 1 55 55 TRP HZ2 H 1 7.367 . . 1 . . . . . . . . 2049 1 342 . 1 1 55 55 TRP HZ3 H 1 7.134 . . 1 . . . . . . . . 2049 1 343 . 1 1 55 55 TRP HH2 H 1 7.008 . . 1 . . . . . . . . 2049 1 344 . 1 1 56 56 ASP H H 1 9.381 . . 1 . . . . . . . . 2049 1 345 . 1 1 56 56 ASP HA H 1 4.537 . . 1 . . . . . . . . 2049 1 346 . 1 1 56 56 ASP HB2 H 1 2.869 . . 2 . . . . . . . . 2049 1 347 . 1 1 56 56 ASP HB3 H 1 2.961 . . 2 . . . . . . . . 2049 1 348 . 1 1 57 57 ALA H H 1 7.907 . . 1 . . . . . . . . 2049 1 349 . 1 1 57 57 ALA HA H 1 4.275 . . 1 . . . . . . . . 2049 1 350 . 1 1 57 57 ALA HB1 H 1 1.731 . . 1 . . . . . . . . 2049 1 351 . 1 1 57 57 ALA HB2 H 1 1.731 . . 1 . . . . . . . . 2049 1 352 . 1 1 57 57 ALA HB3 H 1 1.731 . . 1 . . . . . . . . 2049 1 353 . 1 1 58 58 TRP H H 1 8.078 . . 1 . . . . . . . . 2049 1 354 . 1 1 58 58 TRP HA H 1 4.63 . . 1 . . . . . . . . 2049 1 355 . 1 1 58 58 TRP HB2 H 1 3.043 . . 2 . . . . . . . . 2049 1 356 . 1 1 58 58 TRP HB3 H 1 3.589 . . 2 . . . . . . . . 2049 1 357 . 1 1 58 58 TRP HD1 H 1 7.514 . . 1 . . . . . . . . 2049 1 358 . 1 1 58 58 TRP HE1 H 1 9.936 . . 1 . . . . . . . . 2049 1 359 . 1 1 58 58 TRP HE3 H 1 7.592 . . 1 . . . . . . . . 2049 1 360 . 1 1 58 58 TRP HZ2 H 1 7.095 . . 1 . . . . . . . . 2049 1 361 . 1 1 58 58 TRP HZ3 H 1 7.146 . . 1 . . . . . . . . 2049 1 362 . 1 1 58 58 TRP HH2 H 1 7.181 . . 1 . . . . . . . . 2049 1 363 . 1 1 59 59 ASN H H 1 9.358 . . 1 . . . . . . . . 2049 1 364 . 1 1 59 59 ASN HA H 1 3.749 . . 1 . . . . . . . . 2049 1 365 . 1 1 59 59 ASN HB2 H 1 1.448 . . 2 . . . . . . . . 2049 1 366 . 1 1 59 59 ASN HB3 H 1 2.567 . . 2 . . . . . . . . 2049 1 367 . 1 1 59 59 ASN HD21 H 1 6.623 . . 2 . . . . . . . . 2049 1 368 . 1 1 59 59 ASN HD22 H 1 7.835 . . 2 . . . . . . . . 2049 1 369 . 1 1 60 60 GLU H H 1 7.729 . . 1 . . . . . . . . 2049 1 370 . 1 1 60 60 GLU HA H 1 4.004 . . 1 . . . . . . . . 2049 1 371 . 1 1 60 60 GLU HB2 H 1 2.159 . . 1 . . . . . . . . 2049 1 372 . 1 1 60 60 GLU HB3 H 1 2.159 . . 1 . . . . . . . . 2049 1 373 . 1 1 61 61 LEU H H 1 7.495 . . 1 . . . . . . . . 2049 1 374 . 1 1 61 61 LEU HA H 1 4.253 . . 1 . . . . . . . . 2049 1 375 . 1 1 61 61 LEU HB2 H 1 1.2 . . 2 . . . . . . . . 2049 1 376 . 1 1 61 61 LEU HB3 H 1 2.001 . . 2 . . . . . . . . 2049 1 377 . 1 1 61 61 LEU HG H 1 1.76 . . 1 . . . . . . . . 2049 1 378 . 1 1 61 61 LEU HD11 H 1 .004 . . 2 . . . . . . . . 2049 1 379 . 1 1 61 61 LEU HD12 H 1 .004 . . 2 . . . . . . . . 2049 1 380 . 1 1 61 61 LEU HD13 H 1 .004 . . 2 . . . . . . . . 2049 1 381 . 1 1 61 61 LEU HD21 H 1 .523 . . 2 . . . . . . . . 2049 1 382 . 1 1 61 61 LEU HD22 H 1 .523 . . 2 . . . . . . . . 2049 1 383 . 1 1 61 61 LEU HD23 H 1 .523 . . 2 . . . . . . . . 2049 1 384 . 1 1 62 62 LYS H H 1 7.211 . . 1 . . . . . . . . 2049 1 385 . 1 1 62 62 LYS HA H 1 4.12 . . 1 . . . . . . . . 2049 1 386 . 1 1 62 62 LYS HB2 H 1 1.62 . . 2 . . . . . . . . 2049 1 387 . 1 1 62 62 LYS HB3 H 1 1.849 . . 2 . . . . . . . . 2049 1 388 . 1 1 62 62 LYS HG2 H 1 1.309 . . 1 . . . . . . . . 2049 1 389 . 1 1 62 62 LYS HG3 H 1 1.309 . . 1 . . . . . . . . 2049 1 390 . 1 1 63 63 GLY H H 1 10.032 . . 1 . . . . . . . . 2049 1 391 . 1 1 63 63 GLY HA2 H 1 3.776 . . 2 . . . . . . . . 2049 1 392 . 1 1 63 63 GLY HA3 H 1 4.401 . . 2 . . . . . . . . 2049 1 393 . 1 1 64 64 THR H H 1 8.311 . . 1 . . . . . . . . 2049 1 394 . 1 1 64 64 THR HA H 1 4.324 . . 1 . . . . . . . . 2049 1 395 . 1 1 64 64 THR HB H 1 4.055 . . 1 . . . . . . . . 2049 1 396 . 1 1 64 64 THR HG1 H 1 5.896 . . 1 . . . . . . . . 2049 1 397 . 1 1 64 64 THR HG21 H 1 1.484 . . 1 . . . . . . . . 2049 1 398 . 1 1 64 64 THR HG22 H 1 1.484 . . 1 . . . . . . . . 2049 1 399 . 1 1 64 64 THR HG23 H 1 1.484 . . 1 . . . . . . . . 2049 1 400 . 1 1 65 65 SER H H 1 9.9 . . 1 . . . . . . . . 2049 1 401 . 1 1 65 65 SER HA H 1 4.357 . . 1 . . . . . . . . 2049 1 402 . 1 1 65 65 SER HB2 H 1 4.173 . . 2 . . . . . . . . 2049 1 403 . 1 1 65 65 SER HB3 H 1 4.379 . . 2 . . . . . . . . 2049 1 404 . 1 1 66 66 LYS H H 1 8.934 . . 1 . . . . . . . . 2049 1 405 . 1 1 66 66 LYS HA H 1 3.905 . . 1 . . . . . . . . 2049 1 406 . 1 1 66 66 LYS HB2 H 1 1.78 . . 1 . . . . . . . . 2049 1 407 . 1 1 66 66 LYS HB3 H 1 1.78 . . 1 . . . . . . . . 2049 1 408 . 1 1 67 67 GLU H H 1 8.818 . . 1 . . . . . . . . 2049 1 409 . 1 1 67 67 GLU HA H 1 3.947 . . 1 . . . . . . . . 2049 1 410 . 1 1 67 67 GLU HB2 H 1 1.968 . . 2 . . . . . . . . 2049 1 411 . 1 1 67 67 GLU HB3 H 1 2.054 . . 2 . . . . . . . . 2049 1 412 . 1 1 67 67 GLU HG2 H 1 2.444 . . 1 . . . . . . . . 2049 1 413 . 1 1 67 67 GLU HG3 H 1 2.444 . . 1 . . . . . . . . 2049 1 414 . 1 1 68 68 ASP H H 1 8.021 . . 1 . . . . . . . . 2049 1 415 . 1 1 68 68 ASP HA H 1 4.54 . . 1 . . . . . . . . 2049 1 416 . 1 1 68 68 ASP HB2 H 1 2.658 . . 2 . . . . . . . . 2049 1 417 . 1 1 68 68 ASP HB3 H 1 2.863 . . 2 . . . . . . . . 2049 1 418 . 1 1 69 69 ALA H H 1 8.534 . . 1 . . . . . . . . 2049 1 419 . 1 1 69 69 ALA HA H 1 4.295 . . 1 . . . . . . . . 2049 1 420 . 1 1 69 69 ALA HB1 H 1 1.427 . . 1 . . . . . . . . 2049 1 421 . 1 1 69 69 ALA HB2 H 1 1.427 . . 1 . . . . . . . . 2049 1 422 . 1 1 69 69 ALA HB3 H 1 1.427 . . 1 . . . . . . . . 2049 1 423 . 1 1 70 70 MET H H 1 8.611 . . 1 . . . . . . . . 2049 1 424 . 1 1 70 70 MET HA H 1 3.823 . . 1 . . . . . . . . 2049 1 425 . 1 1 70 70 MET HB2 H 1 2.175 . . 2 . . . . . . . . 2049 1 426 . 1 1 70 70 MET HB3 H 1 1.885 . . 2 . . . . . . . . 2049 1 427 . 1 1 70 70 MET HG2 H 1 1.401 . . 2 . . . . . . . . 2049 1 428 . 1 1 70 70 MET HG3 H 1 2.429 . . 2 . . . . . . . . 2049 1 429 . 1 1 71 71 LYS H H 1 7.787 . . 1 . . . . . . . . 2049 1 430 . 1 1 71 71 LYS HA H 1 4.087 . . 1 . . . . . . . . 2049 1 431 . 1 1 71 71 LYS HB2 H 1 2.03 . . 1 . . . . . . . . 2049 1 432 . 1 1 71 71 LYS HB3 H 1 2.03 . . 1 . . . . . . . . 2049 1 433 . 1 1 71 71 LYS HG2 H 1 1.611 . . 1 . . . . . . . . 2049 1 434 . 1 1 71 71 LYS HG3 H 1 1.611 . . 1 . . . . . . . . 2049 1 435 . 1 1 72 72 ALA H H 1 7.876 . . 1 . . . . . . . . 2049 1 436 . 1 1 72 72 ALA HA H 1 4.308 . . 1 . . . . . . . . 2049 1 437 . 1 1 72 72 ALA HB1 H 1 1.613 . . 1 . . . . . . . . 2049 1 438 . 1 1 72 72 ALA HB2 H 1 1.613 . . 1 . . . . . . . . 2049 1 439 . 1 1 72 72 ALA HB3 H 1 1.613 . . 1 . . . . . . . . 2049 1 440 . 1 1 73 73 TYR H H 1 8.538 . . 1 . . . . . . . . 2049 1 441 . 1 1 73 73 TYR HA H 1 3.932 . . 1 . . . . . . . . 2049 1 442 . 1 1 73 73 TYR HB2 H 1 3.166 . . 2 . . . . . . . . 2049 1 443 . 1 1 73 73 TYR HB3 H 1 3.785 . . 2 . . . . . . . . 2049 1 444 . 1 1 73 73 TYR HD1 H 1 7.025 . . 1 . . . . . . . . 2049 1 445 . 1 1 73 73 TYR HD2 H 1 7.025 . . 1 . . . . . . . . 2049 1 446 . 1 1 73 73 TYR HE1 H 1 6.772 . . 1 . . . . . . . . 2049 1 447 . 1 1 73 73 TYR HE2 H 1 6.772 . . 1 . . . . . . . . 2049 1 448 . 1 1 74 74 ILE H H 1 8.726 . . 1 . . . . . . . . 2049 1 449 . 1 1 74 74 ILE HA H 1 3.418 . . 1 . . . . . . . . 2049 1 450 . 1 1 74 74 ILE HB H 1 2.023 . . 1 . . . . . . . . 2049 1 451 . 1 1 74 74 ILE HG21 H 1 1.08 . . 1 . . . . . . . . 2049 1 452 . 1 1 74 74 ILE HG22 H 1 1.08 . . 1 . . . . . . . . 2049 1 453 . 1 1 74 74 ILE HG23 H 1 1.08 . . 1 . . . . . . . . 2049 1 454 . 1 1 75 75 ASP H H 1 8.386 . . 1 . . . . . . . . 2049 1 455 . 1 1 75 75 ASP HA H 1 4.362 . . 1 . . . . . . . . 2049 1 456 . 1 1 75 75 ASP HB2 H 1 2.634 . . 2 . . . . . . . . 2049 1 457 . 1 1 75 75 ASP HB3 H 1 2.768 . . 2 . . . . . . . . 2049 1 458 . 1 1 76 76 LYS H H 1 8.041 . . 1 . . . . . . . . 2049 1 459 . 1 1 76 76 LYS HA H 1 4.108 . . 1 . . . . . . . . 2049 1 460 . 1 1 76 76 LYS HB2 H 1 1.887 . . 1 . . . . . . . . 2049 1 461 . 1 1 76 76 LYS HB3 H 1 1.887 . . 1 . . . . . . . . 2049 1 462 . 1 1 77 77 VAL H H 1 8.603 . . 1 . . . . . . . . 2049 1 463 . 1 1 77 77 VAL HA H 1 3.32 . . 1 . . . . . . . . 2049 1 464 . 1 1 77 77 VAL HB H 1 2.177 . . 1 . . . . . . . . 2049 1 465 . 1 1 77 77 VAL HG11 H 1 .589 . . 2 . . . . . . . . 2049 1 466 . 1 1 77 77 VAL HG12 H 1 .589 . . 2 . . . . . . . . 2049 1 467 . 1 1 77 77 VAL HG13 H 1 .589 . . 2 . . . . . . . . 2049 1 468 . 1 1 77 77 VAL HG21 H 1 1.008 . . 2 . . . . . . . . 2049 1 469 . 1 1 77 77 VAL HG22 H 1 1.008 . . 2 . . . . . . . . 2049 1 470 . 1 1 77 77 VAL HG23 H 1 1.008 . . 2 . . . . . . . . 2049 1 471 . 1 1 78 78 GLU H H 1 8.331 . . 1 . . . . . . . . 2049 1 472 . 1 1 78 78 GLU HA H 1 4.018 . . 1 . . . . . . . . 2049 1 473 . 1 1 78 78 GLU HB2 H 1 2.135 . . 2 . . . . . . . . 2049 1 474 . 1 1 78 78 GLU HB3 H 1 2.213 . . 2 . . . . . . . . 2049 1 475 . 1 1 78 78 GLU HG2 H 1 2.471 . . 1 . . . . . . . . 2049 1 476 . 1 1 78 78 GLU HG3 H 1 2.471 . . 1 . . . . . . . . 2049 1 477 . 1 1 79 79 GLU H H 1 7.78 . . 1 . . . . . . . . 2049 1 478 . 1 1 79 79 GLU HA H 1 4 . . 1 . . . . . . . . 2049 1 479 . 1 1 79 79 GLU HB2 H 1 2.288 . . 2 . . . . . . . . 2049 1 480 . 1 1 79 79 GLU HB3 H 1 2.317 . . 2 . . . . . . . . 2049 1 481 . 1 1 79 79 GLU HG2 H 1 1.989 . . 1 . . . . . . . . 2049 1 482 . 1 1 79 79 GLU HG3 H 1 1.989 . . 1 . . . . . . . . 2049 1 483 . 1 1 80 80 LEU H H 1 8.924 . . 1 . . . . . . . . 2049 1 484 . 1 1 80 80 LEU HA H 1 4.054 . . 1 . . . . . . . . 2049 1 485 . 1 1 80 80 LEU HB2 H 1 2.109 . . 1 . . . . . . . . 2049 1 486 . 1 1 80 80 LEU HB3 H 1 2.109 . . 1 . . . . . . . . 2049 1 487 . 1 1 80 80 LEU HG H 1 2.169 . . 1 . . . . . . . . 2049 1 488 . 1 1 80 80 LEU HD11 H 1 .774 . . 2 . . . . . . . . 2049 1 489 . 1 1 80 80 LEU HD12 H 1 .774 . . 2 . . . . . . . . 2049 1 490 . 1 1 80 80 LEU HD13 H 1 .774 . . 2 . . . . . . . . 2049 1 491 . 1 1 80 80 LEU HD21 H 1 .887 . . 2 . . . . . . . . 2049 1 492 . 1 1 80 80 LEU HD22 H 1 .887 . . 2 . . . . . . . . 2049 1 493 . 1 1 80 80 LEU HD23 H 1 .887 . . 2 . . . . . . . . 2049 1 494 . 1 1 81 81 LYS H H 1 9.013 . . 1 . . . . . . . . 2049 1 495 . 1 1 81 81 LYS HA H 1 3.696 . . 1 . . . . . . . . 2049 1 496 . 1 1 81 81 LYS HB2 H 1 1.878 . . 1 . . . . . . . . 2049 1 497 . 1 1 81 81 LYS HB3 H 1 1.878 . . 1 . . . . . . . . 2049 1 498 . 1 1 81 81 LYS HG2 H 1 1.252 . . 1 . . . . . . . . 2049 1 499 . 1 1 81 81 LYS HG3 H 1 1.252 . . 1 . . . . . . . . 2049 1 500 . 1 1 82 82 LYS H H 1 7.361 . . 1 . . . . . . . . 2049 1 501 . 1 1 82 82 LYS HA H 1 4.009 . . 1 . . . . . . . . 2049 1 502 . 1 1 82 82 LYS HB2 H 1 1.422 . . 2 . . . . . . . . 2049 1 503 . 1 1 82 82 LYS HB3 H 1 1.885 . . 2 . . . . . . . . 2049 1 504 . 1 1 83 83 LYS H H 1 7.784 . . 1 . . . . . . . . 2049 1 505 . 1 1 83 83 LYS HA H 1 3.882 . . 1 . . . . . . . . 2049 1 506 . 1 1 83 83 LYS HB2 H 1 1.19 . . 2 . . . . . . . . 2049 1 507 . 1 1 83 83 LYS HB3 H 1 1.455 . . 2 . . . . . . . . 2049 1 508 . 1 1 83 83 LYS HG2 H 1 .298 . . 2 . . . . . . . . 2049 1 509 . 1 1 83 83 LYS HG3 H 1 1.012 . . 2 . . . . . . . . 2049 1 510 . 1 1 84 84 TYR H H 1 8.629 . . 1 . . . . . . . . 2049 1 511 . 1 1 84 84 TYR HA H 1 4.704 . . 1 . . . . . . . . 2049 1 512 . 1 1 84 84 TYR HB2 H 1 2.926 . . 2 . . . . . . . . 2049 1 513 . 1 1 84 84 TYR HB3 H 1 3.407 . . 2 . . . . . . . . 2049 1 514 . 1 1 84 84 TYR HD1 H 1 7.133 . . 1 . . . . . . . . 2049 1 515 . 1 1 84 84 TYR HD2 H 1 7.133 . . 1 . . . . . . . . 2049 1 516 . 1 1 84 84 TYR HE1 H 1 6.875 . . 1 . . . . . . . . 2049 1 517 . 1 1 84 84 TYR HE2 H 1 6.875 . . 1 . . . . . . . . 2049 1 518 . 1 1 85 85 GLY H H 1 7.606 . . 1 . . . . . . . . 2049 1 519 . 1 1 85 85 GLY HA2 H 1 4.351 . . 2 . . . . . . . . 2049 1 520 . 1 1 85 85 GLY HA3 H 1 4 . . 2 . . . . . . . . 2049 1 521 . 1 1 86 86 ILE H H 1 7.608 . . 1 . . . . . . . . 2049 1 522 . 1 1 86 86 ILE HA H 1 4.375 . . 1 . . . . . . . . 2049 1 523 . 1 1 86 86 ILE HB H 1 1.776 . . 1 . . . . . . . . 2049 1 524 . 1 1 86 86 ILE HG12 H 1 1.156 . . 2 . . . . . . . . 2049 1 525 . 1 1 86 86 ILE HG13 H 1 1.516 . . 2 . . . . . . . . 2049 1 526 . 1 1 86 86 ILE HG21 H 1 .856 . . 1 . . . . . . . . 2049 1 527 . 1 1 86 86 ILE HG22 H 1 .856 . . 1 . . . . . . . . 2049 1 528 . 1 1 86 86 ILE HG23 H 1 .856 . . 1 . . . . . . . . 2049 1 529 . 1 1 86 86 ILE HD11 H 1 .882 . . 1 . . . . . . . . 2049 1 530 . 1 1 86 86 ILE HD12 H 1 .882 . . 1 . . . . . . . . 2049 1 531 . 1 1 86 86 ILE HD13 H 1 .882 . . 1 . . . . . . . . 2049 1 stop_ save_