data_4817 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4817 _Entry.Title ; Backbone and side chain 1H, 15N and 13C chemical shifts for Mj0307 from Methanococcus jannascii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-08-31 _Entry.Accession_date 2000-09-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 John Cave . W. . 4817 2 Ho Cho . S. . 4817 3 Abigail Batchelder . M. . 4817 4 H. Yokota . . . 4817 5 R. Kim . . . 4817 6 David Wemmer . E. . 4817 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4817 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 528 4817 '13C chemical shifts' 253 4817 '15N chemical shifts' 72 4817 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 2 . . 2012-11-08 2000-08-31 update BMRB 'switch the chemical shifts of H and N of residue 64 GLY' 4817 1 . . 2000-12-07 2000-08-31 original author 'original release' 4817 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4817 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21167488 _Citation.DOI . _Citation.PubMed_ID 11266624 _Citation.Full_citation . _Citation.Title ; Solution Nuclear Magnetic Resonance Structure of a Protein Disulfide Oxidoreductase from Methanococcus jannaschii ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _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 384 _Citation.Page_last 396 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 John Cave . W. . 4817 1 2 Ho Cho . S. . 4817 1 3 Abigail Batchelder . M. . 4817 1 4 H. Yokota . . . 4817 1 5 R. Kim . . . 4817 1 6 David Wemmer . E. . 4817 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'protein disulfide oxidoreductase' 4817 1 thioredoxin 4817 1 glutaredoxin 4817 1 'solution structure' 4817 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Mj0307 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Mj0307 _Assembly.Entry_ID 4817 _Assembly.ID 1 _Assembly.Name 'Mj0307 reduced form' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4817 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Mj0307 1 $Mj0307 . . . native . . . . . 4817 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Mj0307 reduced form' system 4817 1 Mj0307 abbreviation 4817 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'protein disulfide oxidoreductase' 4817 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mj0307 _Entity.Sf_category entity _Entity.Sf_framecode Mj0307 _Entity.Entry_ID 4817 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Mj0307 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSKVKIELFTSPMCPHCPAA KRVVEEVANEMPDAVEVEYI NVMENPQKAMEYGIMAVPTI VINGDVEFIGAPTKEALVEA IKKRL ; _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 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9404 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 1FO5 . "Solution Structure Of Reduced Mj0307" . . . . . 100.00 85 100.00 100.00 1.47e-52 . . . . 4817 1 2 no GB AAB98293 . "thioredoxin (trx) [Methanocaldococcus jannaschii DSM 2661]" . . . . . 100.00 85 100.00 100.00 1.47e-52 . . . . 4817 1 3 no GB ACV25141 . "redox-active disulfide protein 1 [Methanocaldococcus fervens AG86]" . . . . . 100.00 85 97.65 97.65 7.85e-51 . . . . 4817 1 4 no GB ADC69759 . "redox-active disulfide protein 1 [Methanocaldococcus sp. FS406-22]" . . . . . 100.00 85 98.82 100.00 7.47e-52 . . . . 4817 1 5 no GB AIJ05727 . "thioredoxin [Methanocaldococcus sp. JH146]" . . . . . 100.00 85 98.82 100.00 8.80e-52 . . . . 4817 1 6 no REF NP_247280 . "thioredoxin [Methanocaldococcus jannaschii DSM 2661]" . . . . . 100.00 85 100.00 100.00 1.47e-52 . . . . 4817 1 7 no REF WP_010869805 . "thioredoxin [Methanocaldococcus jannaschii]" . . . . . 100.00 85 100.00 100.00 1.47e-52 . . . . 4817 1 8 no REF WP_012980668 . "thioredoxin [Methanocaldococcus sp. FS406-22]" . . . . . 100.00 85 98.82 100.00 7.47e-52 . . . . 4817 1 9 no REF WP_015791875 . "thioredoxin [Methanocaldococcus fervens]" . . . . . 100.00 85 97.65 97.65 7.85e-51 . . . . 4817 1 10 no REF YP_003128641 . "redox-active disulfide protein 1 [Methanocaldococcus fervens AG86]" . . . . . 100.00 85 97.65 97.65 7.85e-51 . . . . 4817 1 11 no SP Q57755 . "RecName: Full=Thioredoxin [Methanocaldococcus jannaschii DSM 2661]" . . . . . 100.00 85 100.00 100.00 1.47e-52 . . . . 4817 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Mj0307 common 4817 1 Mj0307 abbreviation 4817 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 . MET . 4817 1 2 . SER . 4817 1 3 . LYS . 4817 1 4 . VAL . 4817 1 5 . LYS . 4817 1 6 . ILE . 4817 1 7 . GLU . 4817 1 8 . LEU . 4817 1 9 . PHE . 4817 1 10 . THR . 4817 1 11 . SER . 4817 1 12 . PRO . 4817 1 13 . MET . 4817 1 14 . CYS . 4817 1 15 . PRO . 4817 1 16 . HIS . 4817 1 17 . CYS . 4817 1 18 . PRO . 4817 1 19 . ALA . 4817 1 20 . ALA . 4817 1 21 . LYS . 4817 1 22 . ARG . 4817 1 23 . VAL . 4817 1 24 . VAL . 4817 1 25 . GLU . 4817 1 26 . GLU . 4817 1 27 . VAL . 4817 1 28 . ALA . 4817 1 29 . ASN . 4817 1 30 . GLU . 4817 1 31 . MET . 4817 1 32 . PRO . 4817 1 33 . ASP . 4817 1 34 . ALA . 4817 1 35 . VAL . 4817 1 36 . GLU . 4817 1 37 . VAL . 4817 1 38 . GLU . 4817 1 39 . TYR . 4817 1 40 . ILE . 4817 1 41 . ASN . 4817 1 42 . VAL . 4817 1 43 . MET . 4817 1 44 . GLU . 4817 1 45 . ASN . 4817 1 46 . PRO . 4817 1 47 . GLN . 4817 1 48 . LYS . 4817 1 49 . ALA . 4817 1 50 . MET . 4817 1 51 . GLU . 4817 1 52 . TYR . 4817 1 53 . GLY . 4817 1 54 . ILE . 4817 1 55 . MET . 4817 1 56 . ALA . 4817 1 57 . VAL . 4817 1 58 . PRO . 4817 1 59 . THR . 4817 1 60 . ILE . 4817 1 61 . VAL . 4817 1 62 . ILE . 4817 1 63 . ASN . 4817 1 64 . GLY . 4817 1 65 . ASP . 4817 1 66 . VAL . 4817 1 67 . GLU . 4817 1 68 . PHE . 4817 1 69 . ILE . 4817 1 70 . GLY . 4817 1 71 . ALA . 4817 1 72 . PRO . 4817 1 73 . THR . 4817 1 74 . LYS . 4817 1 75 . GLU . 4817 1 76 . ALA . 4817 1 77 . LEU . 4817 1 78 . VAL . 4817 1 79 . GLU . 4817 1 80 . ALA . 4817 1 81 . ILE . 4817 1 82 . LYS . 4817 1 83 . LYS . 4817 1 84 . ARG . 4817 1 85 . LEU . 4817 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 . MET 1 1 4817 1 . SER 2 2 4817 1 . LYS 3 3 4817 1 . VAL 4 4 4817 1 . LYS 5 5 4817 1 . ILE 6 6 4817 1 . GLU 7 7 4817 1 . LEU 8 8 4817 1 . PHE 9 9 4817 1 . THR 10 10 4817 1 . SER 11 11 4817 1 . PRO 12 12 4817 1 . MET 13 13 4817 1 . CYS 14 14 4817 1 . PRO 15 15 4817 1 . HIS 16 16 4817 1 . CYS 17 17 4817 1 . PRO 18 18 4817 1 . ALA 19 19 4817 1 . ALA 20 20 4817 1 . LYS 21 21 4817 1 . ARG 22 22 4817 1 . VAL 23 23 4817 1 . VAL 24 24 4817 1 . GLU 25 25 4817 1 . GLU 26 26 4817 1 . VAL 27 27 4817 1 . ALA 28 28 4817 1 . ASN 29 29 4817 1 . GLU 30 30 4817 1 . MET 31 31 4817 1 . PRO 32 32 4817 1 . ASP 33 33 4817 1 . ALA 34 34 4817 1 . VAL 35 35 4817 1 . GLU 36 36 4817 1 . VAL 37 37 4817 1 . GLU 38 38 4817 1 . TYR 39 39 4817 1 . ILE 40 40 4817 1 . ASN 41 41 4817 1 . VAL 42 42 4817 1 . MET 43 43 4817 1 . GLU 44 44 4817 1 . ASN 45 45 4817 1 . PRO 46 46 4817 1 . GLN 47 47 4817 1 . LYS 48 48 4817 1 . ALA 49 49 4817 1 . MET 50 50 4817 1 . GLU 51 51 4817 1 . TYR 52 52 4817 1 . GLY 53 53 4817 1 . ILE 54 54 4817 1 . MET 55 55 4817 1 . ALA 56 56 4817 1 . VAL 57 57 4817 1 . PRO 58 58 4817 1 . THR 59 59 4817 1 . ILE 60 60 4817 1 . VAL 61 61 4817 1 . ILE 62 62 4817 1 . ASN 63 63 4817 1 . GLY 64 64 4817 1 . ASP 65 65 4817 1 . VAL 66 66 4817 1 . GLU 67 67 4817 1 . PHE 68 68 4817 1 . ILE 69 69 4817 1 . GLY 70 70 4817 1 . ALA 71 71 4817 1 . PRO 72 72 4817 1 . THR 73 73 4817 1 . LYS 74 74 4817 1 . GLU 75 75 4817 1 . ALA 76 76 4817 1 . LEU 77 77 4817 1 . VAL 78 78 4817 1 . GLU 79 79 4817 1 . ALA 80 80 4817 1 . ILE 81 81 4817 1 . LYS 82 82 4817 1 . LYS 83 83 4817 1 . ARG 84 84 4817 1 . LEU 85 85 4817 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 4817 _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 $Mj0307 . 2190 . . 'Methanococcus jannaschii' . . . Archaea Euryarchaeota Methanococcus jannaschii . . . . . . . . 43067 . . . cytoplasm . . . Mj0307 . . . . 4817 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 4817 _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 $Mj0307 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4817 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4817 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Mj0307 . . . 1 $Mj0307 . . 1.5 . . mM . . . . 4817 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4817 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Mj0307 [U-15N] . . 1 $Mj0307 . . 1.5 . . mM . . . . 4817 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4817 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Mj0307 '[U-13C; U-15N]' . . 1 $Mj0307 . . 1.5 . . mM . . . . 4817 3 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 4817 _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 6.3 0.2 n/a 4817 1 temperature 298 1 K 4817 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 4817 _Software.ID 1 _Software.Name Felix _Software.Version 97 _Software.Details 'Biosym/MSI, San Diego, CA' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4817 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4817 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4817 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4817 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AMX . 600 . . . 4817 1 2 NMR_spectrometer_2 Bruker DRX . 500 . . . 4817 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 4817 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4817 1 2 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4817 1 3 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4817 1 4 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4817 1 5 '1H-13C NOESY (3D)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4817 1 6 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4817 1 7 CCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4817 1 8 HCCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4817 1 9 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4817 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4817 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4817 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4817 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4817 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4817 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-13C NOESY (3D)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4817 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4817 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4817 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4817 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4817 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4817 1 C 13 . . . . . . ppm 0.0 internal indirect . . . . . . . . . . 4817 1 N 15 . . . . . . ppm 0.0 internal indirect . . . . . . . . . . 4817 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4817 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N HSQC' . . . 4817 1 2 '1H-13C HSQC' . . . 4817 1 3 '1H-15N NOESY' . . . 4817 1 4 '1H-15N TOCSY' . . . 4817 1 5 '1H-13C NOESY (3D)' . . . 4817 1 6 HCCH-TOCSY . . . 4817 1 7 CCONH . . . 4817 1 8 HCCONH . . . 4817 1 9 HNCACB . . . 4817 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 3 3 LYS CA C 13 56.70 0.2 . 1 . . . . . . . . 4817 1 2 . 1 1 3 3 LYS HA H 1 4.50 0.1 . 1 . . . . . . . . 4817 1 3 . 1 1 3 3 LYS CB C 13 35.80 0.2 . 1 . . . . . . . . 4817 1 4 . 1 1 3 3 LYS HB2 H 1 1.60 0.1 . 1 . . . . . . . . 4817 1 5 . 1 1 3 3 LYS HB3 H 1 1.60 0.1 . 1 . . . . . . . . 4817 1 6 . 1 1 3 3 LYS CG C 13 25.50 0.2 . 1 . . . . . . . . 4817 1 7 . 1 1 3 3 LYS HG2 H 1 1.40 0.1 . 1 . . . . . . . . 4817 1 8 . 1 1 3 3 LYS HG3 H 1 1.40 0.1 . 1 . . . . . . . . 4817 1 9 . 1 1 3 3 LYS CD C 13 29.70 0.2 . 1 . . . . . . . . 4817 1 10 . 1 1 3 3 LYS HD2 H 1 1.40 0.1 . 1 . . . . . . . . 4817 1 11 . 1 1 3 3 LYS HD3 H 1 1.40 0.1 . 1 . . . . . . . . 4817 1 12 . 1 1 3 3 LYS CE C 13 42.50 0.2 . 1 . . . . . . . . 4817 1 13 . 1 1 3 3 LYS HE2 H 1 2.70 0.1 . 1 . . . . . . . . 4817 1 14 . 1 1 3 3 LYS HE3 H 1 2.70 0.1 . 1 . . . . . . . . 4817 1 15 . 1 1 4 4 VAL H H 1 8.57 0.1 . 1 . . . . . . . . 4817 1 16 . 1 1 4 4 VAL N N 15 122.92 0.2 . 1 . . . . . . . . 4817 1 17 . 1 1 4 4 VAL CA C 13 62.65 0.2 . 1 . . . . . . . . 4817 1 18 . 1 1 4 4 VAL HA H 1 4.35 0.1 . 1 . . . . . . . . 4817 1 19 . 1 1 4 4 VAL CB C 13 33.35 0.2 . 1 . . . . . . . . 4817 1 20 . 1 1 4 4 VAL HB H 1 2.10 0.1 . 1 . . . . . . . . 4817 1 21 . 1 1 4 4 VAL CG1 C 13 22.65 0.2 . 1 . . . . . . . . 4817 1 22 . 1 1 4 4 VAL CG2 C 13 22.65 0.2 . 1 . . . . . . . . 4817 1 23 . 1 1 4 4 VAL HG11 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 24 . 1 1 4 4 VAL HG12 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 25 . 1 1 4 4 VAL HG13 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 26 . 1 1 4 4 VAL HG21 H 1 0.85 0.1 . 1 . . . . . . . . 4817 1 27 . 1 1 4 4 VAL HG22 H 1 0.85 0.1 . 1 . . . . . . . . 4817 1 28 . 1 1 4 4 VAL HG23 H 1 0.85 0.1 . 1 . . . . . . . . 4817 1 29 . 1 1 5 5 LYS H H 1 8.72 0.1 . 1 . . . . . . . . 4817 1 30 . 1 1 5 5 LYS N N 15 128.00 0.2 . 1 . . . . . . . . 4817 1 31 . 1 1 5 5 LYS CA C 13 55.10 0.2 . 1 . . . . . . . . 4817 1 32 . 1 1 5 5 LYS HA H 1 4.95 0.1 . 1 . . . . . . . . 4817 1 33 . 1 1 5 5 LYS CB C 13 33.65 0.2 . 1 . . . . . . . . 4817 1 34 . 1 1 5 5 LYS HB2 H 1 2.00 0.1 . 1 . . . . . . . . 4817 1 35 . 1 1 5 5 LYS HB3 H 1 2.00 0.1 . 1 . . . . . . . . 4817 1 36 . 1 1 5 5 LYS CG C 13 25.45 0.2 . 1 . . . . . . . . 4817 1 37 . 1 1 5 5 LYS HG2 H 1 1.30 0.1 . 1 . . . . . . . . 4817 1 38 . 1 1 5 5 LYS HG3 H 1 1.30 0.1 . 1 . . . . . . . . 4817 1 39 . 1 1 5 5 LYS CD C 13 28.95 0.2 . 1 . . . . . . . . 4817 1 40 . 1 1 5 5 LYS HD2 H 1 1.75 0.1 . 1 . . . . . . . . 4817 1 41 . 1 1 5 5 LYS HD3 H 1 1.75 0.1 . 1 . . . . . . . . 4817 1 42 . 1 1 5 5 LYS CE C 13 42.60 0.2 . 1 . . . . . . . . 4817 1 43 . 1 1 5 5 LYS HE2 H 1 2.90 0.1 . 1 . . . . . . . . 4817 1 44 . 1 1 5 5 LYS HE3 H 1 2.90 0.1 . 1 . . . . . . . . 4817 1 45 . 1 1 6 6 ILE H H 1 9.18 0.1 . 1 . . . . . . . . 4817 1 46 . 1 1 6 6 ILE N N 15 128.66 0.2 . 1 . . . . . . . . 4817 1 47 . 1 1 6 6 ILE CA C 13 60.35 0.2 . 1 . . . . . . . . 4817 1 48 . 1 1 6 6 ILE HA H 1 4.90 0.1 . 1 . . . . . . . . 4817 1 49 . 1 1 6 6 ILE CB C 13 39.65 0.2 . 1 . . . . . . . . 4817 1 50 . 1 1 6 6 ILE HB H 1 1.85 0.1 . 1 . . . . . . . . 4817 1 51 . 1 1 6 6 ILE CG1 C 13 28.05 0.2 . 2 . . . . . . . . 4817 1 52 . 1 1 6 6 ILE CG2 C 13 28.05 0.2 . 2 . . . . . . . . 4817 1 53 . 1 1 6 6 ILE HG21 H 1 0.82 0.1 . 1 . . . . . . . . 4817 1 54 . 1 1 6 6 ILE HG22 H 1 0.82 0.1 . 1 . . . . . . . . 4817 1 55 . 1 1 6 6 ILE HG23 H 1 0.82 0.1 . 1 . . . . . . . . 4817 1 56 . 1 1 6 6 ILE HG12 H 1 1.70 0.1 . 1 . . . . . . . . 4817 1 57 . 1 1 6 6 ILE HG13 H 1 1.70 0.1 . 1 . . . . . . . . 4817 1 58 . 1 1 6 6 ILE CD1 C 13 17.65 0.2 . 1 . . . . . . . . 4817 1 59 . 1 1 7 7 GLU H H 1 9.30 0.1 . 1 . . . . . . . . 4817 1 60 . 1 1 7 7 GLU N N 15 126.36 0.2 . 1 . . . . . . . . 4817 1 61 . 1 1 7 7 GLU CA C 13 54.85 0.2 . 1 . . . . . . . . 4817 1 62 . 1 1 7 7 GLU HA H 1 4.90 0.1 . 1 . . . . . . . . 4817 1 63 . 1 1 7 7 GLU CB C 13 33.15 0.2 . 1 . . . . . . . . 4817 1 64 . 1 1 7 7 GLU HB2 H 1 1.65 0.1 . 1 . . . . . . . . 4817 1 65 . 1 1 7 7 GLU HB3 H 1 1.65 0.1 . 1 . . . . . . . . 4817 1 66 . 1 1 7 7 GLU CG C 13 37.95 0.2 . 1 . . . . . . . . 4817 1 67 . 1 1 7 7 GLU HG2 H 1 1.95 0.1 . 1 . . . . . . . . 4817 1 68 . 1 1 7 7 GLU HG3 H 1 1.95 0.1 . 1 . . . . . . . . 4817 1 69 . 1 1 8 8 LEU H H 1 8.48 0.1 . 1 . . . . . . . . 4817 1 70 . 1 1 8 8 LEU N N 15 125.09 0.2 . 1 . . . . . . . . 4817 1 71 . 1 1 8 8 LEU CA C 13 53.55 0.2 . 1 . . . . . . . . 4817 1 72 . 1 1 8 8 LEU HA H 1 5.20 0.1 . 1 . . . . . . . . 4817 1 73 . 1 1 8 8 LEU CB C 13 43.60 0.2 . 1 . . . . . . . . 4817 1 74 . 1 1 8 8 LEU HB2 H 1 1.95 0.1 . 1 . . . . . . . . 4817 1 75 . 1 1 8 8 LEU HB3 H 1 1.95 0.1 . 1 . . . . . . . . 4817 1 76 . 1 1 8 8 LEU CG C 13 25.75 0.2 . 1 . . . . . . . . 4817 1 77 . 1 1 8 8 LEU HG H 1 1.65 0.1 . 1 . . . . . . . . 4817 1 78 . 1 1 8 8 LEU HD11 H 1 1.13 0.1 . 1 . . . . . . . . 4817 1 79 . 1 1 8 8 LEU HD12 H 1 1.13 0.1 . 1 . . . . . . . . 4817 1 80 . 1 1 8 8 LEU HD13 H 1 1.13 0.1 . 1 . . . . . . . . 4817 1 81 . 1 1 8 8 LEU HD21 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 82 . 1 1 8 8 LEU HD22 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 83 . 1 1 8 8 LEU HD23 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 84 . 1 1 9 9 PHE H H 1 9.38 0.1 . 1 . . . . . . . . 4817 1 85 . 1 1 9 9 PHE N N 15 127.26 0.2 . 1 . . . . . . . . 4817 1 86 . 1 1 9 9 PHE CA C 13 57.85 0.2 . 1 . . . . . . . . 4817 1 87 . 1 1 9 9 PHE HA H 1 5.40 0.1 . 1 . . . . . . . . 4817 1 88 . 1 1 9 9 PHE CB C 13 40.35 0.2 . 1 . . . . . . . . 4817 1 89 . 1 1 9 9 PHE HB2 H 1 3.18 0.1 . 1 . . . . . . . . 4817 1 90 . 1 1 9 9 PHE HB3 H 1 2.80 0.1 . 1 . . . . . . . . 4817 1 91 . 1 1 9 9 PHE HD1 H 1 7.13 0.1 . 1 . . . . . . . . 4817 1 92 . 1 1 9 9 PHE HD2 H 1 7.13 0.1 . 1 . . . . . . . . 4817 1 93 . 1 1 10 10 THR H H 1 9.18 0.1 . 1 . . . . . . . . 4817 1 94 . 1 1 10 10 THR N N 15 112.54 0.2 . 1 . . . . . . . . 4817 1 95 . 1 1 10 10 THR CA C 13 59.90 0.2 . 1 . . . . . . . . 4817 1 96 . 1 1 10 10 THR HA H 1 4.25 0.1 . 1 . . . . . . . . 4817 1 97 . 1 1 10 10 THR CB C 13 72.50 0.2 . 1 . . . . . . . . 4817 1 98 . 1 1 10 10 THR HB H 1 4.90 0.1 . 1 . . . . . . . . 4817 1 99 . 1 1 10 10 THR CG2 C 13 20.60 0.2 . 1 . . . . . . . . 4817 1 100 . 1 1 10 10 THR HG21 H 1 1.10 0.1 . 1 . . . . . . . . 4817 1 101 . 1 1 10 10 THR HG22 H 1 1.10 0.1 . 1 . . . . . . . . 4817 1 102 . 1 1 10 10 THR HG23 H 1 1.10 0.1 . 1 . . . . . . . . 4817 1 103 . 1 1 11 11 SER H H 1 7.55 0.1 . 1 . . . . . . . . 4817 1 104 . 1 1 11 11 SER N N 15 113.45 0.2 . 1 . . . . . . . . 4817 1 105 . 1 1 11 11 SER CA C 13 56.75 0.2 . 1 . . . . . . . . 4817 1 106 . 1 1 11 11 SER HA H 1 5.10 0.1 . 1 . . . . . . . . 4817 1 107 . 1 1 11 11 SER CB C 13 65.25 0.2 . 1 . . . . . . . . 4817 1 108 . 1 1 11 11 SER HB2 H 1 3.90 0.1 . 1 . . . . . . . . 4817 1 109 . 1 1 11 11 SER HB3 H 1 3.80 0.1 . 1 . . . . . . . . 4817 1 110 . 1 1 12 12 PRO HA H 1 4.45 0.1 . 1 . . . . . . . . 4817 1 111 . 1 1 12 12 PRO HB2 H 1 2.30 0.1 . 1 . . . . . . . . 4817 1 112 . 1 1 12 12 PRO HB3 H 1 2.30 0.1 . 1 . . . . . . . . 4817 1 113 . 1 1 13 13 MET CA C 13 57.90 0.2 . 1 . . . . . . . . 4817 1 114 . 1 1 13 13 MET HA H 1 4.20 0.1 . 1 . . . . . . . . 4817 1 115 . 1 1 13 13 MET CB C 13 30.90 0.2 . 1 . . . . . . . . 4817 1 116 . 1 1 13 13 MET HB2 H 1 2.35 0.1 . 1 . . . . . . . . 4817 1 117 . 1 1 13 13 MET HB3 H 1 2.35 0.1 . 1 . . . . . . . . 4817 1 118 . 1 1 13 13 MET HG2 H 1 1.95 0.1 . 1 . . . . . . . . 4817 1 119 . 1 1 13 13 MET HG3 H 1 1.95 0.1 . 1 . . . . . . . . 4817 1 120 . 1 1 13 13 MET HE1 H 1 2.15 0.1 . 1 . . . . . . . . 4817 1 121 . 1 1 13 13 MET HE2 H 1 2.15 0.1 . 1 . . . . . . . . 4817 1 122 . 1 1 13 13 MET HE3 H 1 2.15 0.1 . 1 . . . . . . . . 4817 1 123 . 1 1 16 16 HIS CA C 13 54.75 0.2 . 1 . . . . . . . . 4817 1 124 . 1 1 16 16 HIS CB C 13 31.00 0.2 . 1 . . . . . . . . 4817 1 125 . 1 1 17 17 CYS H H 1 8.30 0.1 . 1 . . . . . . . . 4817 1 126 . 1 1 17 17 CYS N N 15 120.09 0.2 . 1 . . . . . . . . 4817 1 127 . 1 1 17 17 CYS CA C 13 68.20 0.2 . 1 . . . . . . . . 4817 1 128 . 1 1 17 17 CYS HA H 1 4.60 0.1 . 1 . . . . . . . . 4817 1 129 . 1 1 17 17 CYS CB C 13 34.00 0.2 . 1 . . . . . . . . 4817 1 130 . 1 1 17 17 CYS HB2 H 1 3.05 0.1 . 1 . . . . . . . . 4817 1 131 . 1 1 17 17 CYS HB3 H 1 3.05 0.1 . 1 . . . . . . . . 4817 1 132 . 1 1 18 18 PRO CA C 13 67.00 0.2 . 1 . . . . . . . . 4817 1 133 . 1 1 18 18 PRO HA H 1 4.10 0.1 . 1 . . . . . . . . 4817 1 134 . 1 1 18 18 PRO CB C 13 30.90 0.2 . 1 . . . . . . . . 4817 1 135 . 1 1 18 18 PRO HB2 H 1 2.50 0.1 . 1 . . . . . . . . 4817 1 136 . 1 1 18 18 PRO HB3 H 1 2.50 0.1 . 1 . . . . . . . . 4817 1 137 . 1 1 18 18 PRO CG C 13 28.75 0.2 . 1 . . . . . . . . 4817 1 138 . 1 1 18 18 PRO CD C 13 50.90 0.2 . 1 . . . . . . . . 4817 1 139 . 1 1 19 19 ALA H H 1 7.82 0.1 . 1 . . . . . . . . 4817 1 140 . 1 1 19 19 ALA N N 15 119.41 0.2 . 1 . . . . . . . . 4817 1 141 . 1 1 19 19 ALA CA C 13 55.35 0.2 . 1 . . . . . . . . 4817 1 142 . 1 1 19 19 ALA HA H 1 4.45 0.1 . 1 . . . . . . . . 4817 1 143 . 1 1 19 19 ALA CB C 13 18.45 0.2 . 1 . . . . . . . . 4817 1 144 . 1 1 19 19 ALA HB1 H 1 1.50 0.1 . 1 . . . . . . . . 4817 1 145 . 1 1 19 19 ALA HB2 H 1 1.50 0.1 . 1 . . . . . . . . 4817 1 146 . 1 1 19 19 ALA HB3 H 1 1.50 0.1 . 1 . . . . . . . . 4817 1 147 . 1 1 20 20 ALA H H 1 7.83 0.1 . 1 . . . . . . . . 4817 1 148 . 1 1 20 20 ALA N N 15 119.23 0.2 . 1 . . . . . . . . 4817 1 149 . 1 1 20 20 ALA CA C 13 55.00 0.2 . 1 . . . . . . . . 4817 1 150 . 1 1 20 20 ALA HA H 1 3.90 0.1 . 1 . . . . . . . . 4817 1 151 . 1 1 20 20 ALA CB C 13 18.90 0.2 . 1 . . . . . . . . 4817 1 152 . 1 1 20 20 ALA HB1 H 1 1.50 0.1 . 1 . . . . . . . . 4817 1 153 . 1 1 20 20 ALA HB2 H 1 1.50 0.1 . 1 . . . . . . . . 4817 1 154 . 1 1 20 20 ALA HB3 H 1 1.50 0.1 . 1 . . . . . . . . 4817 1 155 . 1 1 21 21 LYS H H 1 8.40 0.1 . 1 . . . . . . . . 4817 1 156 . 1 1 21 21 LYS N N 15 116.84 0.2 . 1 . . . . . . . . 4817 1 157 . 1 1 21 21 LYS CA C 13 60.25 0.2 . 1 . . . . . . . . 4817 1 158 . 1 1 21 21 LYS HA H 1 3.77 0.1 . 1 . . . . . . . . 4817 1 159 . 1 1 21 21 LYS CB C 13 32.70 0.2 . 1 . . . . . . . . 4817 1 160 . 1 1 21 21 LYS HB2 H 1 1.95 0.1 . 1 . . . . . . . . 4817 1 161 . 1 1 21 21 LYS HB3 H 1 1.95 0.1 . 1 . . . . . . . . 4817 1 162 . 1 1 21 21 LYS CG C 13 25.40 0.2 . 1 . . . . . . . . 4817 1 163 . 1 1 21 21 LYS HG2 H 1 1.30 0.1 . 1 . . . . . . . . 4817 1 164 . 1 1 21 21 LYS HG3 H 1 1.30 0.1 . 1 . . . . . . . . 4817 1 165 . 1 1 21 21 LYS CD C 13 29.95 0.2 . 1 . . . . . . . . 4817 1 166 . 1 1 21 21 LYS HD2 H 1 1.70 0.1 . 1 . . . . . . . . 4817 1 167 . 1 1 21 21 LYS HD3 H 1 1.70 0.1 . 1 . . . . . . . . 4817 1 168 . 1 1 21 21 LYS CE C 13 42.05 0.2 . 1 . . . . . . . . 4817 1 169 . 1 1 21 21 LYS HE2 H 1 2.50 0.1 . 1 . . . . . . . . 4817 1 170 . 1 1 21 21 LYS HE3 H 1 2.50 0.1 . 1 . . . . . . . . 4817 1 171 . 1 1 22 22 ARG H H 1 7.93 0.1 . 1 . . . . . . . . 4817 1 172 . 1 1 22 22 ARG N N 15 116.27 0.2 . 1 . . . . . . . . 4817 1 173 . 1 1 22 22 ARG CA C 13 59.80 0.2 . 1 . . . . . . . . 4817 1 174 . 1 1 22 22 ARG HA H 1 4.15 0.1 . 1 . . . . . . . . 4817 1 175 . 1 1 22 22 ARG CB C 13 30.20 0.2 . 1 . . . . . . . . 4817 1 176 . 1 1 22 22 ARG HB2 H 1 1.95 0.1 . 1 . . . . . . . . 4817 1 177 . 1 1 22 22 ARG HB3 H 1 1.95 0.1 . 1 . . . . . . . . 4817 1 178 . 1 1 22 22 ARG CG C 13 27.45 0.2 . 1 . . . . . . . . 4817 1 179 . 1 1 22 22 ARG HG2 H 1 1.75 0.1 . 1 . . . . . . . . 4817 1 180 . 1 1 22 22 ARG HG3 H 1 1.75 0.1 . 1 . . . . . . . . 4817 1 181 . 1 1 22 22 ARG CD C 13 43.75 0.2 . 1 . . . . . . . . 4817 1 182 . 1 1 22 22 ARG HD2 H 1 2.00 0.1 . 1 . . . . . . . . 4817 1 183 . 1 1 22 22 ARG HD3 H 1 2.00 0.1 . 1 . . . . . . . . 4817 1 184 . 1 1 23 23 VAL H H 1 7.42 0.1 . 1 . . . . . . . . 4817 1 185 . 1 1 23 23 VAL N N 15 116.46 0.2 . 1 . . . . . . . . 4817 1 186 . 1 1 23 23 VAL CA C 13 66.15 0.2 . 1 . . . . . . . . 4817 1 187 . 1 1 23 23 VAL HA H 1 4.00 0.1 . 1 . . . . . . . . 4817 1 188 . 1 1 23 23 VAL CB C 13 32.00 0.2 . 1 . . . . . . . . 4817 1 189 . 1 1 23 23 VAL HB H 1 2.07 0.1 . 1 . . . . . . . . 4817 1 190 . 1 1 23 23 VAL CG1 C 13 21.55 0.2 . 1 . . . . . . . . 4817 1 191 . 1 1 23 23 VAL CG2 C 13 21.55 0.2 . 1 . . . . . . . . 4817 1 192 . 1 1 23 23 VAL HG11 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 193 . 1 1 23 23 VAL HG12 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 194 . 1 1 23 23 VAL HG13 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 195 . 1 1 23 23 VAL HG21 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 196 . 1 1 23 23 VAL HG22 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 197 . 1 1 23 23 VAL HG23 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 198 . 1 1 24 24 VAL H H 1 7.75 0.1 . 1 . . . . . . . . 4817 1 199 . 1 1 24 24 VAL N N 15 120.58 0.2 . 1 . . . . . . . . 4817 1 200 . 1 1 24 24 VAL CA C 13 67.35 0.2 . 1 . . . . . . . . 4817 1 201 . 1 1 24 24 VAL HA H 1 3.50 0.1 . 1 . . . . . . . . 4817 1 202 . 1 1 24 24 VAL CB C 13 31.35 0.2 . 1 . . . . . . . . 4817 1 203 . 1 1 24 24 VAL HB H 1 2.30 0.1 . 1 . . . . . . . . 4817 1 204 . 1 1 24 24 VAL CG1 C 13 23.10 0.2 . 1 . . . . . . . . 4817 1 205 . 1 1 24 24 VAL CG2 C 13 23.10 0.2 . 1 . . . . . . . . 4817 1 206 . 1 1 24 24 VAL HG11 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 207 . 1 1 24 24 VAL HG12 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 208 . 1 1 24 24 VAL HG13 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 209 . 1 1 24 24 VAL HG21 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 210 . 1 1 24 24 VAL HG22 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 211 . 1 1 24 24 VAL HG23 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 212 . 1 1 25 25 GLU H H 1 8.64 0.1 . 1 . . . . . . . . 4817 1 213 . 1 1 25 25 GLU N N 15 118.38 0.2 . 1 . . . . . . . . 4817 1 214 . 1 1 25 25 GLU CA C 13 60.05 0.2 . 1 . . . . . . . . 4817 1 215 . 1 1 25 25 GLU HA H 1 3.95 0.1 . 1 . . . . . . . . 4817 1 216 . 1 1 25 25 GLU CB C 13 29.95 0.2 . 1 . . . . . . . . 4817 1 217 . 1 1 25 25 GLU HB2 H 1 2.30 0.1 . 1 . . . . . . . . 4817 1 218 . 1 1 25 25 GLU HB3 H 1 2.30 0.1 . 1 . . . . . . . . 4817 1 219 . 1 1 25 25 GLU CG C 13 37.25 0.2 . 1 . . . . . . . . 4817 1 220 . 1 1 25 25 GLU HG2 H 1 2.50 0.1 . 1 . . . . . . . . 4817 1 221 . 1 1 25 25 GLU HG3 H 1 2.50 0.1 . 1 . . . . . . . . 4817 1 222 . 1 1 26 26 GLU H H 1 8.07 0.1 . 1 . . . . . . . . 4817 1 223 . 1 1 26 26 GLU N N 15 118.81 0.2 . 1 . . . . . . . . 4817 1 224 . 1 1 26 26 GLU CA C 13 60.25 0.2 . 1 . . . . . . . . 4817 1 225 . 1 1 26 26 GLU HA H 1 4.05 0.1 . 1 . . . . . . . . 4817 1 226 . 1 1 26 26 GLU CB C 13 30.05 0.2 . 1 . . . . . . . . 4817 1 227 . 1 1 26 26 GLU HB2 H 1 2.30 0.1 . 1 . . . . . . . . 4817 1 228 . 1 1 26 26 GLU HB3 H 1 2.30 0.1 . 1 . . . . . . . . 4817 1 229 . 1 1 26 26 GLU CG C 13 37.15 0.2 . 1 . . . . . . . . 4817 1 230 . 1 1 26 26 GLU HG2 H 1 2.55 0.1 . 1 . . . . . . . . 4817 1 231 . 1 1 26 26 GLU HG3 H 1 2.10 0.1 . 1 . . . . . . . . 4817 1 232 . 1 1 27 27 VAL H H 1 7.97 0.1 . 1 . . . . . . . . 4817 1 233 . 1 1 27 27 VAL N N 15 118.14 0.2 . 1 . . . . . . . . 4817 1 234 . 1 1 27 27 VAL CA C 13 67.10 0.2 . 1 . . . . . . . . 4817 1 235 . 1 1 27 27 VAL HA H 1 3.65 0.1 . 1 . . . . . . . . 4817 1 236 . 1 1 27 27 VAL CB C 13 31.50 0.2 . 1 . . . . . . . . 4817 1 237 . 1 1 27 27 VAL HB H 1 2.13 0.1 . 1 . . . . . . . . 4817 1 238 . 1 1 27 27 VAL CG1 C 13 22.15 0.2 . 1 . . . . . . . . 4817 1 239 . 1 1 27 27 VAL CG2 C 13 22.15 0.2 . 1 . . . . . . . . 4817 1 240 . 1 1 27 27 VAL HG11 H 1 1.05 0.1 . 1 . . . . . . . . 4817 1 241 . 1 1 27 27 VAL HG12 H 1 1.05 0.1 . 1 . . . . . . . . 4817 1 242 . 1 1 27 27 VAL HG13 H 1 1.05 0.1 . 1 . . . . . . . . 4817 1 243 . 1 1 27 27 VAL HG21 H 1 0.85 0.1 . 1 . . . . . . . . 4817 1 244 . 1 1 27 27 VAL HG22 H 1 0.85 0.1 . 1 . . . . . . . . 4817 1 245 . 1 1 27 27 VAL HG23 H 1 0.85 0.1 . 1 . . . . . . . . 4817 1 246 . 1 1 28 28 ALA H H 1 8.66 0.1 . 1 . . . . . . . . 4817 1 247 . 1 1 28 28 ALA N N 15 121.40 0.2 . 1 . . . . . . . . 4817 1 248 . 1 1 28 28 ALA CA C 13 55.45 0.2 . 1 . . . . . . . . 4817 1 249 . 1 1 28 28 ALA HA H 1 3.80 0.1 . 1 . . . . . . . . 4817 1 250 . 1 1 28 28 ALA CB C 13 18.10 0.2 . 1 . . . . . . . . 4817 1 251 . 1 1 28 28 ALA HB1 H 1 1.40 0.1 . 1 . . . . . . . . 4817 1 252 . 1 1 28 28 ALA HB2 H 1 1.40 0.1 . 1 . . . . . . . . 4817 1 253 . 1 1 28 28 ALA HB3 H 1 1.40 0.1 . 1 . . . . . . . . 4817 1 254 . 1 1 29 29 ASN H H 1 7.85 0.1 . 1 . . . . . . . . 4817 1 255 . 1 1 29 29 ASN N N 15 113.39 0.2 . 1 . . . . . . . . 4817 1 256 . 1 1 29 29 ASN CA C 13 55.25 0.2 . 1 . . . . . . . . 4817 1 257 . 1 1 29 29 ASN HA H 1 4.55 0.1 . 1 . . . . . . . . 4817 1 258 . 1 1 29 29 ASN CB C 13 39.30 0.2 . 1 . . . . . . . . 4817 1 259 . 1 1 29 29 ASN HB2 H 1 2.95 0.1 . 1 . . . . . . . . 4817 1 260 . 1 1 29 29 ASN HB3 H 1 2.85 0.1 . 1 . . . . . . . . 4817 1 261 . 1 1 30 30 GLU H H 1 7.81 0.1 . 1 . . . . . . . . 4817 1 262 . 1 1 30 30 GLU N N 15 118.51 0.2 . 1 . . . . . . . . 4817 1 263 . 1 1 30 30 GLU CA C 13 58.00 0.2 . 1 . . . . . . . . 4817 1 264 . 1 1 30 30 GLU HA H 1 4.35 0.1 . 1 . . . . . . . . 4817 1 265 . 1 1 30 30 GLU CB C 13 31.05 0.2 . 1 . . . . . . . . 4817 1 266 . 1 1 30 30 GLU HB2 H 1 2.35 0.1 . 1 . . . . . . . . 4817 1 267 . 1 1 30 30 GLU HB3 H 1 2.35 0.1 . 1 . . . . . . . . 4817 1 268 . 1 1 30 30 GLU CG C 13 36.90 0.2 . 1 . . . . . . . . 4817 1 269 . 1 1 30 30 GLU HG2 H 1 2.55 0.1 . 1 . . . . . . . . 4817 1 270 . 1 1 30 30 GLU HG3 H 1 2.20 0.1 . 1 . . . . . . . . 4817 1 271 . 1 1 31 31 MET H H 1 7.75 0.1 . 1 . . . . . . . . 4817 1 272 . 1 1 31 31 MET N N 15 117.05 0.2 . 1 . . . . . . . . 4817 1 273 . 1 1 31 31 MET CA C 13 54.10 0.2 . 1 . . . . . . . . 4817 1 274 . 1 1 31 31 MET HA H 1 5.05 0.1 . 1 . . . . . . . . 4817 1 275 . 1 1 31 31 MET CB C 13 34.55 0.2 . 1 . . . . . . . . 4817 1 276 . 1 1 31 31 MET HB2 H 1 2.05 0.1 . 1 . . . . . . . . 4817 1 277 . 1 1 31 31 MET HB3 H 1 2.05 0.1 . 1 . . . . . . . . 4817 1 278 . 1 1 31 31 MET HG2 H 1 2.20 0.1 . 1 . . . . . . . . 4817 1 279 . 1 1 31 31 MET HG3 H 1 2.20 0.1 . 1 . . . . . . . . 4817 1 280 . 1 1 31 31 MET HE1 H 1 2.60 0.1 . 1 . . . . . . . . 4817 1 281 . 1 1 31 31 MET HE2 H 1 2.60 0.1 . 1 . . . . . . . . 4817 1 282 . 1 1 31 31 MET HE3 H 1 2.60 0.1 . 1 . . . . . . . . 4817 1 283 . 1 1 32 32 PRO CA C 13 65.55 0.2 . 1 . . . . . . . . 4817 1 284 . 1 1 32 32 PRO HA H 1 4.65 0.1 . 1 . . . . . . . . 4817 1 285 . 1 1 32 32 PRO CB C 13 31.75 0.2 . 1 . . . . . . . . 4817 1 286 . 1 1 32 32 PRO HB2 H 1 2.40 0.1 . 1 . . . . . . . . 4817 1 287 . 1 1 32 32 PRO HB3 H 1 2.40 0.1 . 1 . . . . . . . . 4817 1 288 . 1 1 32 32 PRO CG C 13 27.45 0.2 . 1 . . . . . . . . 4817 1 289 . 1 1 32 32 PRO HG2 H 1 2.05 0.1 . 1 . . . . . . . . 4817 1 290 . 1 1 32 32 PRO HG3 H 1 2.05 0.1 . 1 . . . . . . . . 4817 1 291 . 1 1 32 32 PRO CD C 13 50.45 0.2 . 1 . . . . . . . . 4817 1 292 . 1 1 33 33 ASP H H 1 8.43 0.1 . 1 . . . . . . . . 4817 1 293 . 1 1 33 33 ASP N N 15 114.50 0.2 . 1 . . . . . . . . 4817 1 294 . 1 1 33 33 ASP CA C 13 54.50 0.2 . 1 . . . . . . . . 4817 1 295 . 1 1 33 33 ASP HA H 1 4.60 0.1 . 1 . . . . . . . . 4817 1 296 . 1 1 33 33 ASP CB C 13 41.00 0.2 . 1 . . . . . . . . 4817 1 297 . 1 1 33 33 ASP HB2 H 1 2.75 0.1 . 1 . . . . . . . . 4817 1 298 . 1 1 33 33 ASP HB3 H 1 2.75 0.1 . 1 . . . . . . . . 4817 1 299 . 1 1 34 34 ALA H H 1 7.68 0.1 . 1 . . . . . . . . 4817 1 300 . 1 1 34 34 ALA N N 15 119.93 0.2 . 1 . . . . . . . . 4817 1 301 . 1 1 34 34 ALA CA C 13 53.10 0.2 . 1 . . . . . . . . 4817 1 302 . 1 1 34 34 ALA HA H 1 4.70 0.1 . 1 . . . . . . . . 4817 1 303 . 1 1 34 34 ALA CB C 13 22.65 0.2 . 1 . . . . . . . . 4817 1 304 . 1 1 34 34 ALA HB1 H 1 1.50 0.1 . 1 . . . . . . . . 4817 1 305 . 1 1 34 34 ALA HB2 H 1 1.50 0.1 . 1 . . . . . . . . 4817 1 306 . 1 1 34 34 ALA HB3 H 1 1.50 0.1 . 1 . . . . . . . . 4817 1 307 . 1 1 35 35 VAL H H 1 7.37 0.1 . 1 . . . . . . . . 4817 1 308 . 1 1 35 35 VAL N N 15 112.33 0.2 . 1 . . . . . . . . 4817 1 309 . 1 1 35 35 VAL CA C 13 60.15 0.2 . 1 . . . . . . . . 4817 1 310 . 1 1 35 35 VAL HA H 1 5.30 0.1 . 1 . . . . . . . . 4817 1 311 . 1 1 35 35 VAL CB C 13 35.95 0.2 . 1 . . . . . . . . 4817 1 312 . 1 1 35 35 VAL HB H 1 2.00 0.1 . 1 . . . . . . . . 4817 1 313 . 1 1 35 35 VAL CG1 C 13 21.80 0.2 . 1 . . . . . . . . 4817 1 314 . 1 1 35 35 VAL CG2 C 13 21.80 0.2 . 1 . . . . . . . . 4817 1 315 . 1 1 35 35 VAL HG11 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 316 . 1 1 35 35 VAL HG12 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 317 . 1 1 35 35 VAL HG13 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 318 . 1 1 35 35 VAL HG21 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 319 . 1 1 35 35 VAL HG22 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 320 . 1 1 35 35 VAL HG23 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 321 . 1 1 36 36 GLU H H 1 8.75 0.1 . 1 . . . . . . . . 4817 1 322 . 1 1 36 36 GLU N N 15 124.27 0.2 . 1 . . . . . . . . 4817 1 323 . 1 1 36 36 GLU CA C 13 55.10 0.2 . 1 . . . . . . . . 4817 1 324 . 1 1 36 36 GLU HA H 1 4.70 0.1 . 1 . . . . . . . . 4817 1 325 . 1 1 36 36 GLU CB C 13 33.55 0.2 . 1 . . . . . . . . 4817 1 326 . 1 1 36 36 GLU HB2 H 1 1.95 0.1 . 1 . . . . . . . . 4817 1 327 . 1 1 36 36 GLU HB3 H 1 1.95 0.1 . 1 . . . . . . . . 4817 1 328 . 1 1 36 36 GLU CG C 13 36.40 0.2 . 1 . . . . . . . . 4817 1 329 . 1 1 37 37 VAL H H 1 8.53 0.1 . 1 . . . . . . . . 4817 1 330 . 1 1 37 37 VAL N N 15 121.83 0.2 . 1 . . . . . . . . 4817 1 331 . 1 1 37 37 VAL CA C 13 60.75 0.2 . 1 . . . . . . . . 4817 1 332 . 1 1 37 37 VAL HA H 1 5.05 0.1 . 1 . . . . . . . . 4817 1 333 . 1 1 37 37 VAL CB C 13 64.65 0.2 . 1 . . . . . . . . 4817 1 334 . 1 1 37 37 VAL HB H 1 1.65 0.1 . 1 . . . . . . . . 4817 1 335 . 1 1 37 37 VAL CG1 C 13 21.45 0.2 . 1 . . . . . . . . 4817 1 336 . 1 1 37 37 VAL CG2 C 13 21.45 0.2 . 1 . . . . . . . . 4817 1 337 . 1 1 37 37 VAL HG11 H 1 0.65 0.1 . 1 . . . . . . . . 4817 1 338 . 1 1 37 37 VAL HG12 H 1 0.65 0.1 . 1 . . . . . . . . 4817 1 339 . 1 1 37 37 VAL HG13 H 1 0.65 0.1 . 1 . . . . . . . . 4817 1 340 . 1 1 37 37 VAL HG21 H 1 0.35 0.1 . 1 . . . . . . . . 4817 1 341 . 1 1 37 37 VAL HG22 H 1 0.35 0.1 . 1 . . . . . . . . 4817 1 342 . 1 1 37 37 VAL HG23 H 1 0.35 0.1 . 1 . . . . . . . . 4817 1 343 . 1 1 38 38 GLU H H 1 8.60 0.1 . 1 . . . . . . . . 4817 1 344 . 1 1 38 38 GLU N N 15 126.59 0.2 . 1 . . . . . . . . 4817 1 345 . 1 1 38 38 GLU CA C 13 55.25 0.2 . 1 . . . . . . . . 4817 1 346 . 1 1 38 38 GLU HA H 1 4.47 0.1 . 1 . . . . . . . . 4817 1 347 . 1 1 38 38 GLU CB C 13 31.15 0.2 . 1 . . . . . . . . 4817 1 348 . 1 1 38 38 GLU HB2 H 1 1.77 0.1 . 1 . . . . . . . . 4817 1 349 . 1 1 38 38 GLU HB3 H 1 1.77 0.1 . 1 . . . . . . . . 4817 1 350 . 1 1 38 38 GLU CG C 13 36.40 0.2 . 1 . . . . . . . . 4817 1 351 . 1 1 38 38 GLU HG2 H 1 2.10 0.1 . 1 . . . . . . . . 4817 1 352 . 1 1 38 38 GLU HG3 H 1 2.10 0.1 . 1 . . . . . . . . 4817 1 353 . 1 1 39 39 TYR H H 1 8.61 0.1 . 1 . . . . . . . . 4817 1 354 . 1 1 39 39 TYR N N 15 123.93 0.2 . 1 . . . . . . . . 4817 1 355 . 1 1 39 39 TYR CA C 13 57.05 0.2 . 1 . . . . . . . . 4817 1 356 . 1 1 39 39 TYR HA H 1 4.90 0.1 . 1 . . . . . . . . 4817 1 357 . 1 1 39 39 TYR CB C 13 39.05 0.2 . 1 . . . . . . . . 4817 1 358 . 1 1 39 39 TYR HB2 H 1 2.90 0.1 . 1 . . . . . . . . 4817 1 359 . 1 1 39 39 TYR HB3 H 1 2.90 0.1 . 1 . . . . . . . . 4817 1 360 . 1 1 39 39 TYR CD1 C 13 131.05 0.2 . 1 . . . . . . . . 4817 1 361 . 1 1 39 39 TYR CD2 C 13 131.05 0.2 . 1 . . . . . . . . 4817 1 362 . 1 1 39 39 TYR CE1 C 13 116.70 0.2 . 1 . . . . . . . . 4817 1 363 . 1 1 39 39 TYR CE2 C 13 116.70 0.2 . 1 . . . . . . . . 4817 1 364 . 1 1 39 39 TYR HD1 H 1 7.00 0.1 . 1 . . . . . . . . 4817 1 365 . 1 1 39 39 TYR HD2 H 1 7.00 0.1 . 1 . . . . . . . . 4817 1 366 . 1 1 39 39 TYR HE1 H 1 6.58 0.1 . 1 . . . . . . . . 4817 1 367 . 1 1 39 39 TYR HE2 H 1 6.58 0.1 . 1 . . . . . . . . 4817 1 368 . 1 1 40 40 ILE H H 1 8.93 0.1 . 1 . . . . . . . . 4817 1 369 . 1 1 40 40 ILE N N 15 125.19 0.2 . 1 . . . . . . . . 4817 1 370 . 1 1 40 40 ILE CA C 13 61.85 0.2 . 1 . . . . . . . . 4817 1 371 . 1 1 40 40 ILE HA H 1 4.20 0.1 . 1 . . . . . . . . 4817 1 372 . 1 1 40 40 ILE CB C 13 40.25 0.2 . 1 . . . . . . . . 4817 1 373 . 1 1 40 40 ILE HB H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 374 . 1 1 40 40 ILE CG1 C 13 28.25 0.2 . 1 . . . . . . . . 4817 1 375 . 1 1 40 40 ILE HG12 H 1 0.75 0.1 . 1 . . . . . . . . 4817 1 376 . 1 1 40 40 ILE HG13 H 1 0.75 0.1 . 1 . . . . . . . . 4817 1 377 . 1 1 40 40 ILE CD1 C 13 19.90 0.2 . 1 . . . . . . . . 4817 1 378 . 1 1 40 40 ILE HD11 H 1 0.25 0.1 . 1 . . . . . . . . 4817 1 379 . 1 1 40 40 ILE HD12 H 1 0.25 0.1 . 1 . . . . . . . . 4817 1 380 . 1 1 40 40 ILE HD13 H 1 0.25 0.1 . 1 . . . . . . . . 4817 1 381 . 1 1 41 41 ASN H H 1 8.83 0.1 . 1 . . . . . . . . 4817 1 382 . 1 1 41 41 ASN N N 15 126.18 0.2 . 1 . . . . . . . . 4817 1 383 . 1 1 41 41 ASN CA C 13 51.10 0.2 . 1 . . . . . . . . 4817 1 384 . 1 1 41 41 ASN HA H 1 4.99 0.1 . 1 . . . . . . . . 4817 1 385 . 1 1 41 41 ASN CB C 13 38.45 0.2 . 1 . . . . . . . . 4817 1 386 . 1 1 41 41 ASN HB2 H 1 3.10 0.1 . 1 . . . . . . . . 4817 1 387 . 1 1 41 41 ASN HB3 H 1 2.85 0.1 . 1 . . . . . . . . 4817 1 388 . 1 1 42 42 VAL H H 1 9.29 0.1 . 1 . . . . . . . . 4817 1 389 . 1 1 42 42 VAL N N 15 122.97 0.2 . 1 . . . . . . . . 4817 1 390 . 1 1 42 42 VAL CA C 13 65.40 0.2 . 1 . . . . . . . . 4817 1 391 . 1 1 42 42 VAL HA H 1 3.85 0.1 . 1 . . . . . . . . 4817 1 392 . 1 1 42 42 VAL HB H 1 31.75 0.2 . 1 . . . . . . . . 4817 1 393 . 1 1 42 42 VAL CG1 C 13 23.00 0.1 . 1 . . . . . . . . 4817 1 394 . 1 1 42 42 VAL CG2 C 13 20.00 0.1 . 1 . . . . . . . . 4817 1 395 . 1 1 43 43 MET H H 1 8.24 0.1 . 1 . . . . . . . . 4817 1 396 . 1 1 43 43 MET N N 15 115.85 0.2 . 1 . . . . . . . . 4817 1 397 . 1 1 43 43 MET CA C 13 57.15 0.2 . 1 . . . . . . . . 4817 1 398 . 1 1 43 43 MET HA H 1 4.40 0.1 . 1 . . . . . . . . 4817 1 399 . 1 1 43 43 MET CB C 13 33.30 0.2 . 1 . . . . . . . . 4817 1 400 . 1 1 43 43 MET HB2 H 1 2.10 0.1 . 1 . . . . . . . . 4817 1 401 . 1 1 43 43 MET HB3 H 1 2.10 0.1 . 1 . . . . . . . . 4817 1 402 . 1 1 43 43 MET HE1 H 1 2.65 0.1 . 1 . . . . . . . . 4817 1 403 . 1 1 43 43 MET HE2 H 1 2.65 0.1 . 1 . . . . . . . . 4817 1 404 . 1 1 43 43 MET HE3 H 1 2.65 0.1 . 1 . . . . . . . . 4817 1 405 . 1 1 44 44 GLU H H 1 7.20 0.1 . 1 . . . . . . . . 4817 1 406 . 1 1 44 44 GLU N N 15 116.74 0.2 . 1 . . . . . . . . 4817 1 407 . 1 1 44 44 GLU CA C 13 56.90 0.2 . 1 . . . . . . . . 4817 1 408 . 1 1 44 44 GLU HA H 1 4.40 0.1 . 1 . . . . . . . . 4817 1 409 . 1 1 44 44 GLU CB C 13 31.85 0.2 . 1 . . . . . . . . 4817 1 410 . 1 1 44 44 GLU HB2 H 1 2.00 0.1 . 1 . . . . . . . . 4817 1 411 . 1 1 44 44 GLU HB3 H 1 2.00 0.1 . 1 . . . . . . . . 4817 1 412 . 1 1 44 44 GLU CG C 13 36.75 0.2 . 1 . . . . . . . . 4817 1 413 . 1 1 44 44 GLU HG2 H 1 2.30 0.1 . 1 . . . . . . . . 4817 1 414 . 1 1 44 44 GLU HG3 H 1 2.30 0.1 . 1 . . . . . . . . 4817 1 415 . 1 1 45 45 ASN H H 1 7.73 0.1 . 1 . . . . . . . . 4817 1 416 . 1 1 45 45 ASN N N 15 114.95 0.2 . 1 . . . . . . . . 4817 1 417 . 1 1 45 45 ASN CA C 13 50.70 0.2 . 1 . . . . . . . . 4817 1 418 . 1 1 45 45 ASN HA H 1 5.25 0.1 . 1 . . . . . . . . 4817 1 419 . 1 1 45 45 ASN CB C 13 39.50 0.2 . 1 . . . . . . . . 4817 1 420 . 1 1 45 45 ASN HB2 H 1 3.05 0.1 . 1 . . . . . . . . 4817 1 421 . 1 1 45 45 ASN HB3 H 1 3.05 0.1 . 1 . . . . . . . . 4817 1 422 . 1 1 46 46 PRO CA C 13 65.05 0.2 . 1 . . . . . . . . 4817 1 423 . 1 1 46 46 PRO HA H 1 4.55 0.1 . 1 . . . . . . . . 4817 1 424 . 1 1 46 46 PRO CB C 13 31.75 0.2 . 1 . . . . . . . . 4817 1 425 . 1 1 46 46 PRO HB2 H 1 2.10 0.1 . 1 . . . . . . . . 4817 1 426 . 1 1 46 46 PRO HB3 H 1 2.10 0.1 . 1 . . . . . . . . 4817 1 427 . 1 1 46 46 PRO CG C 13 27.30 0.2 . 1 . . . . . . . . 4817 1 428 . 1 1 46 46 PRO HG2 H 1 2.50 0.1 . 1 . . . . . . . . 4817 1 429 . 1 1 46 46 PRO HG3 H 1 2.50 0.1 . 1 . . . . . . . . 4817 1 430 . 1 1 46 46 PRO CD C 13 50.55 0.2 . 1 . . . . . . . . 4817 1 431 . 1 1 47 47 GLN H H 1 8.58 0.1 . 1 . . . . . . . . 4817 1 432 . 1 1 47 47 GLN N N 15 119.06 0.2 . 1 . . . . . . . . 4817 1 433 . 1 1 47 47 GLN CA C 13 60.00 0.2 . 1 . . . . . . . . 4817 1 434 . 1 1 47 47 GLN HA H 1 4.45 0.1 . 1 . . . . . . . . 4817 1 435 . 1 1 47 47 GLN CB C 13 34.15 0.2 . 1 . . . . . . . . 4817 1 436 . 1 1 47 47 GLN HB2 H 1 2.20 0.1 . 1 . . . . . . . . 4817 1 437 . 1 1 47 47 GLN HB3 H 1 2.20 0.1 . 1 . . . . . . . . 4817 1 438 . 1 1 47 47 GLN HG2 H 1 2.50 0.1 . 1 . . . . . . . . 4817 1 439 . 1 1 47 47 GLN HG3 H 1 2.50 0.1 . 1 . . . . . . . . 4817 1 440 . 1 1 48 48 LYS H H 1 7.61 0.1 . 1 . . . . . . . . 4817 1 441 . 1 1 48 48 LYS N N 15 119.50 0.2 . 1 . . . . . . . . 4817 1 442 . 1 1 48 48 LYS CA C 13 58.60 0.2 . 1 . . . . . . . . 4817 1 443 . 1 1 48 48 LYS HA H 1 4.15 0.1 . 1 . . . . . . . . 4817 1 444 . 1 1 48 48 LYS CB C 13 32.60 0.2 . 1 . . . . . . . . 4817 1 445 . 1 1 48 48 LYS HB2 H 1 1.90 0.1 . 1 . . . . . . . . 4817 1 446 . 1 1 48 48 LYS HB3 H 1 1.90 0.1 . 1 . . . . . . . . 4817 1 447 . 1 1 48 48 LYS CG C 13 25.75 0.2 . 1 . . . . . . . . 4817 1 448 . 1 1 48 48 LYS HG2 H 1 1.60 0.1 . 1 . . . . . . . . 4817 1 449 . 1 1 48 48 LYS HG3 H 1 1.60 0.1 . 1 . . . . . . . . 4817 1 450 . 1 1 48 48 LYS CD C 13 29.00 0.2 . 1 . . . . . . . . 4817 1 451 . 1 1 48 48 LYS HD2 H 1 1.60 0.1 . 1 . . . . . . . . 4817 1 452 . 1 1 48 48 LYS HD3 H 1 1.60 0.1 . 1 . . . . . . . . 4817 1 453 . 1 1 48 48 LYS CE C 13 42.30 0.2 . 1 . . . . . . . . 4817 1 454 . 1 1 48 48 LYS HE2 H 1 2.95 0.1 . 1 . . . . . . . . 4817 1 455 . 1 1 48 48 LYS HE3 H 1 2.95 0.1 . 1 . . . . . . . . 4817 1 456 . 1 1 49 49 ALA H H 1 7.21 0.1 . 1 . . . . . . . . 4817 1 457 . 1 1 49 49 ALA N N 15 117.81 0.2 . 1 . . . . . . . . 4817 1 458 . 1 1 49 49 ALA CA C 13 55.00 0.2 . 1 . . . . . . . . 4817 1 459 . 1 1 49 49 ALA HA H 1 3.90 0.1 . 1 . . . . . . . . 4817 1 460 . 1 1 49 49 ALA CB C 13 18.20 0.2 . 1 . . . . . . . . 4817 1 461 . 1 1 49 49 ALA HB1 H 1 1.53 0.1 . 1 . . . . . . . . 4817 1 462 . 1 1 49 49 ALA HB2 H 1 1.53 0.1 . 1 . . . . . . . . 4817 1 463 . 1 1 49 49 ALA HB3 H 1 1.53 0.1 . 1 . . . . . . . . 4817 1 464 . 1 1 50 50 MET H H 1 8.09 0.1 . 1 . . . . . . . . 4817 1 465 . 1 1 50 50 MET N N 15 117.12 0.2 . 1 . . . . . . . . 4817 1 466 . 1 1 50 50 MET CA C 13 58.60 0.2 . 1 . . . . . . . . 4817 1 467 . 1 1 50 50 MET HA H 1 4.25 0.1 . 1 . . . . . . . . 4817 1 468 . 1 1 50 50 MET CB C 13 32.45 0.2 . 1 . . . . . . . . 4817 1 469 . 1 1 50 50 MET HB2 H 1 2.25 0.1 . 1 . . . . . . . . 4817 1 470 . 1 1 50 50 MET HB3 H 1 2.25 0.1 . 1 . . . . . . . . 4817 1 471 . 1 1 50 50 MET HE1 H 1 2.70 0.1 . 1 . . . . . . . . 4817 1 472 . 1 1 50 50 MET HE2 H 1 2.70 0.1 . 1 . . . . . . . . 4817 1 473 . 1 1 50 50 MET HE3 H 1 2.70 0.1 . 1 . . . . . . . . 4817 1 474 . 1 1 51 51 GLU H H 1 7.88 0.1 . 1 . . . . . . . . 4817 1 475 . 1 1 51 51 GLU N N 15 120.57 0.2 . 1 . . . . . . . . 4817 1 476 . 1 1 51 51 GLU CA C 13 59.80 0.2 . 1 . . . . . . . . 4817 1 477 . 1 1 51 51 GLU HA H 1 4.00 0.1 . 1 . . . . . . . . 4817 1 478 . 1 1 51 51 GLU CB C 13 29.95 0.2 . 1 . . . . . . . . 4817 1 479 . 1 1 51 51 GLU HB2 H 1 2.10 0.1 . 1 . . . . . . . . 4817 1 480 . 1 1 51 51 GLU HB3 H 1 2.10 0.1 . 1 . . . . . . . . 4817 1 481 . 1 1 51 51 GLU CG C 13 36.40 0.2 . 1 . . . . . . . . 4817 1 482 . 1 1 51 51 GLU HG2 H 1 2.35 0.1 . 1 . . . . . . . . 4817 1 483 . 1 1 51 51 GLU HG3 H 1 2.35 0.1 . 1 . . . . . . . . 4817 1 484 . 1 1 52 52 TYR H H 1 7.12 0.1 . 1 . . . . . . . . 4817 1 485 . 1 1 52 52 TYR N N 15 113.67 0.2 . 1 . . . . . . . . 4817 1 486 . 1 1 52 52 TYR CA C 13 56.65 0.2 . 1 . . . . . . . . 4817 1 487 . 1 1 52 52 TYR HA H 1 4.75 0.1 . 1 . . . . . . . . 4817 1 488 . 1 1 52 52 TYR CB C 13 40.00 0.2 . 1 . . . . . . . . 4817 1 489 . 1 1 52 52 TYR HB2 H 1 3.05 0.1 . 1 . . . . . . . . 4817 1 490 . 1 1 52 52 TYR HB3 H 1 2.55 0.1 . 1 . . . . . . . . 4817 1 491 . 1 1 52 52 TYR CD1 C 13 132.05 0.2 . 1 . . . . . . . . 4817 1 492 . 1 1 52 52 TYR CD2 C 13 132.05 0.2 . 1 . . . . . . . . 4817 1 493 . 1 1 52 52 TYR CE1 C 13 118.70 0.2 . 1 . . . . . . . . 4817 1 494 . 1 1 52 52 TYR CE2 C 13 118.70 0.2 . 1 . . . . . . . . 4817 1 495 . 1 1 52 52 TYR HD1 H 1 7.04 0.1 . 1 . . . . . . . . 4817 1 496 . 1 1 52 52 TYR HD2 H 1 7.04 0.1 . 1 . . . . . . . . 4817 1 497 . 1 1 52 52 TYR HE1 H 1 6.92 0.1 . 1 . . . . . . . . 4817 1 498 . 1 1 52 52 TYR HE2 H 1 6.92 0.1 . 1 . . . . . . . . 4817 1 499 . 1 1 53 53 GLY H H 1 7.77 0.1 . 1 . . . . . . . . 4817 1 500 . 1 1 53 53 GLY N N 15 109.08 0.2 . 1 . . . . . . . . 4817 1 501 . 1 1 53 53 GLY CA C 13 46.44 0.2 . 1 . . . . . . . . 4817 1 502 . 1 1 53 53 GLY HA2 H 1 3.95 0.1 . 1 . . . . . . . . 4817 1 503 . 1 1 53 53 GLY HA3 H 1 3.80 0.1 . 1 . . . . . . . . 4817 1 504 . 1 1 54 54 ILE H H 1 7.75 0.1 . 1 . . . . . . . . 4817 1 505 . 1 1 54 54 ILE N N 15 118.50 0.2 . 1 . . . . . . . . 4817 1 506 . 1 1 54 54 ILE CA C 13 60.75 0.2 . 1 . . . . . . . . 4817 1 507 . 1 1 54 54 ILE HA H 1 3.90 0.1 . 1 . . . . . . . . 4817 1 508 . 1 1 54 54 ILE CB C 13 36.41 0.2 . 1 . . . . . . . . 4817 1 509 . 1 1 54 54 ILE HB H 1 1.70 0.1 . 1 . . . . . . . . 4817 1 510 . 1 1 54 54 ILE CG1 C 13 27.05 0.2 . 1 . . . . . . . . 4817 1 511 . 1 1 54 54 ILE CG2 C 13 17.25 0.2 . 1 . . . . . . . . 4817 1 512 . 1 1 54 54 ILE HG12 H 1 0.70 0.1 . 1 . . . . . . . . 4817 1 513 . 1 1 54 54 ILE HG13 H 1 0.70 0.1 . 1 . . . . . . . . 4817 1 514 . 1 1 55 55 MET H H 1 8.42 0.1 . 1 . . . . . . . . 4817 1 515 . 1 1 55 55 MET N N 15 125.96 0.2 . 1 . . . . . . . . 4817 1 516 . 1 1 55 55 MET CA C 13 55.10 0.2 . 1 . . . . . . . . 4817 1 517 . 1 1 55 55 MET HA H 1 4.45 0.1 . 1 . . . . . . . . 4817 1 518 . 1 1 55 55 MET CB C 13 32.10 0.2 . 1 . . . . . . . . 4817 1 519 . 1 1 55 55 MET HB2 H 1 2.15 0.1 . 1 . . . . . . . . 4817 1 520 . 1 1 55 55 MET HB3 H 1 2.15 0.1 . 1 . . . . . . . . 4817 1 521 . 1 1 55 55 MET HG2 H 1 2.00 0.1 . 1 . . . . . . . . 4817 1 522 . 1 1 55 55 MET HG3 H 1 2.00 0.1 . 1 . . . . . . . . 4817 1 523 . 1 1 55 55 MET HE1 H 1 2.55 0.1 . 1 . . . . . . . . 4817 1 524 . 1 1 55 55 MET HE2 H 1 2.55 0.1 . 1 . . . . . . . . 4817 1 525 . 1 1 55 55 MET HE3 H 1 2.55 0.1 . 1 . . . . . . . . 4817 1 526 . 1 1 56 56 ALA H H 1 7.81 0.1 . 1 . . . . . . . . 4817 1 527 . 1 1 56 56 ALA N N 15 122.69 0.2 . 1 . . . . . . . . 4817 1 528 . 1 1 56 56 ALA CA C 13 51.50 0.2 . 1 . . . . . . . . 4817 1 529 . 1 1 56 56 ALA HA H 1 4.65 0.1 . 1 . . . . . . . . 4817 1 530 . 1 1 56 56 ALA CB C 13 22.15 0.2 . 1 . . . . . . . . 4817 1 531 . 1 1 56 56 ALA HB1 H 1 1.30 0.1 . 1 . . . . . . . . 4817 1 532 . 1 1 56 56 ALA HB2 H 1 1.30 0.1 . 1 . . . . . . . . 4817 1 533 . 1 1 56 56 ALA HB3 H 1 1.30 0.1 . 1 . . . . . . . . 4817 1 534 . 1 1 57 57 VAL H H 1 8.30 0.1 . 1 . . . . . . . . 4817 1 535 . 1 1 57 57 VAL N N 15 110.06 0.2 . 1 . . . . . . . . 4817 1 536 . 1 1 57 57 VAL CA C 13 58.20 0.2 . 1 . . . . . . . . 4817 1 537 . 1 1 57 57 VAL HA H 1 4.75 0.1 . 1 . . . . . . . . 4817 1 538 . 1 1 57 57 VAL CB C 13 34.65 0.2 . 1 . . . . . . . . 4817 1 539 . 1 1 58 58 PRO CA C 13 62.55 0.2 . 1 . . . . . . . . 4817 1 540 . 1 1 58 58 PRO HA H 1 5.40 0.1 . 1 . . . . . . . . 4817 1 541 . 1 1 58 58 PRO CB C 13 34.60 0.2 . 1 . . . . . . . . 4817 1 542 . 1 1 58 58 PRO HB2 H 1 1.90 0.1 . 1 . . . . . . . . 4817 1 543 . 1 1 58 58 PRO HB3 H 1 1.90 0.1 . 1 . . . . . . . . 4817 1 544 . 1 1 58 58 PRO CG C 13 24.20 0.2 . 1 . . . . . . . . 4817 1 545 . 1 1 58 58 PRO HG2 H 1 1.50 0.1 . 1 . . . . . . . . 4817 1 546 . 1 1 58 58 PRO HG3 H 1 1.50 0.1 . 1 . . . . . . . . 4817 1 547 . 1 1 58 58 PRO CD C 13 50.80 0.2 . 1 . . . . . . . . 4817 1 548 . 1 1 59 59 THR H H 1 8.20 0.1 . 1 . . . . . . . . 4817 1 549 . 1 1 59 59 THR N N 15 115.93 0.2 . 1 . . . . . . . . 4817 1 550 . 1 1 59 59 THR CA C 13 63.50 0.2 . 1 . . . . . . . . 4817 1 551 . 1 1 59 59 THR HA H 1 5.40 0.1 . 1 . . . . . . . . 4817 1 552 . 1 1 59 59 THR CB C 13 73.35 0.2 . 1 . . . . . . . . 4817 1 553 . 1 1 59 59 THR HB H 1 3.95 0.1 . 1 . . . . . . . . 4817 1 554 . 1 1 59 59 THR CG2 C 13 23.50 0.2 . 1 . . . . . . . . 4817 1 555 . 1 1 59 59 THR HG21 H 1 1.25 0.1 . 1 . . . . . . . . 4817 1 556 . 1 1 59 59 THR HG22 H 1 1.25 0.1 . 1 . . . . . . . . 4817 1 557 . 1 1 59 59 THR HG23 H 1 1.25 0.1 . 1 . . . . . . . . 4817 1 558 . 1 1 60 60 ILE H H 1 9.63 0.2 . 1 . . . . . . . . 4817 1 559 . 1 1 60 60 ILE N N 15 126.84 0.2 . 1 . . . . . . . . 4817 1 560 . 1 1 60 60 ILE CA C 13 61.70 0.2 . 1 . . . . . . . . 4817 1 561 . 1 1 60 60 ILE HA H 1 5.00 0.1 . 1 . . . . . . . . 4817 1 562 . 1 1 60 60 ILE CB C 13 40.50 0.2 . 1 . . . . . . . . 4817 1 563 . 1 1 60 60 ILE HB H 1 2.15 0.1 . 1 . . . . . . . . 4817 1 564 . 1 1 60 60 ILE CG1 C 13 29.95 0.2 . 1 . . . . . . . . 4817 1 565 . 1 1 60 60 ILE HG12 H 1 1.80 0.1 . 1 . . . . . . . . 4817 1 566 . 1 1 60 60 ILE HG13 H 1 1.80 0.1 . 1 . . . . . . . . 4817 1 567 . 1 1 60 60 ILE CG2 C 13 18.45 0.2 . 1 . . . . . . . . 4817 1 568 . 1 1 60 60 ILE HG21 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 569 . 1 1 60 60 ILE HG22 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 570 . 1 1 60 60 ILE HG23 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 571 . 1 1 61 61 VAL H H 1 9.30 0.1 . 1 . . . . . . . . 4817 1 572 . 1 1 61 61 VAL N N 15 131.68 0.2 . 1 . . . . . . . . 4817 1 573 . 1 1 61 61 VAL CA C 13 61.10 0.2 . 1 . . . . . . . . 4817 1 574 . 1 1 61 61 VAL HA H 1 4.80 0.1 . 1 . . . . . . . . 4817 1 575 . 1 1 61 61 VAL CB C 13 33.40 0.2 . 1 . . . . . . . . 4817 1 576 . 1 1 61 61 VAL HB H 1 2.25 0.1 . 1 . . . . . . . . 4817 1 577 . 1 1 61 61 VAL CG1 C 13 23.25 0.2 . 1 . . . . . . . . 4817 1 578 . 1 1 61 61 VAL CG2 C 13 20.70 0.2 . 1 . . . . . . . . 4817 1 579 . 1 1 61 61 VAL HG11 H 1 0.75 0.1 . 1 . . . . . . . . 4817 1 580 . 1 1 61 61 VAL HG12 H 1 0.75 0.1 . 1 . . . . . . . . 4817 1 581 . 1 1 61 61 VAL HG13 H 1 0.75 0.1 . 1 . . . . . . . . 4817 1 582 . 1 1 61 61 VAL HG21 H 1 0.48 0.1 . 1 . . . . . . . . 4817 1 583 . 1 1 61 61 VAL HG22 H 1 0.48 0.1 . 1 . . . . . . . . 4817 1 584 . 1 1 61 61 VAL HG23 H 1 0.48 0.1 . 1 . . . . . . . . 4817 1 585 . 1 1 62 62 ILE H H 1 9.10 0.1 . 1 . . . . . . . . 4817 1 586 . 1 1 62 62 ILE N N 15 126.00 0.2 . 1 . . . . . . . . 4817 1 587 . 1 1 62 62 ILE CA C 13 60.50 0.2 . 1 . . . . . . . . 4817 1 588 . 1 1 62 62 ILE HA H 1 4.95 0.1 . 1 . . . . . . . . 4817 1 589 . 1 1 62 62 ILE CB C 13 39.90 0.2 . 1 . . . . . . . . 4817 1 590 . 1 1 62 62 ILE HB H 1 1.75 0.1 . 1 . . . . . . . . 4817 1 591 . 1 1 62 62 ILE CG1 C 13 27.80 0.2 . 1 . . . . . . . . 4817 1 592 . 1 1 62 62 ILE CG2 C 13 17.95 0.2 . 1 . . . . . . . . 4817 1 593 . 1 1 62 62 ILE HG12 H 1 0.95 0.1 . 1 . . . . . . . . 4817 1 594 . 1 1 62 62 ILE HG13 H 1 0.95 0.1 . 1 . . . . . . . . 4817 1 595 . 1 1 62 62 ILE HG21 H 1 0.70 0.1 . 1 . . . . . . . . 4817 1 596 . 1 1 62 62 ILE HG22 H 1 0.70 0.1 . 1 . . . . . . . . 4817 1 597 . 1 1 62 62 ILE HG23 H 1 0.70 0.1 . 1 . . . . . . . . 4817 1 598 . 1 1 63 63 ASN H H 1 9.48 0.1 . 1 . . . . . . . . 4817 1 599 . 1 1 63 63 ASN N N 15 127.48 0.2 . 1 . . . . . . . . 4817 1 600 . 1 1 63 63 ASN CA C 13 53.90 0.2 . 1 . . . . . . . . 4817 1 601 . 1 1 63 63 ASN HA H 1 4.50 0.1 . 1 . . . . . . . . 4817 1 602 . 1 1 63 63 ASN CB C 13 37.50 0.2 . 1 . . . . . . . . 4817 1 603 . 1 1 63 63 ASN HB2 H 1 3.45 0.1 . 1 . . . . . . . . 4817 1 604 . 1 1 63 63 ASN HB3 H 1 2.80 0.1 . 1 . . . . . . . . 4817 1 605 . 1 1 64 64 GLY H H 1 8.65 0.2 . 1 . . . . . . . . 4817 1 606 . 1 1 64 64 GLY N N 15 128.71 0.1 . 1 . . . . . . . . 4817 1 607 . 1 1 64 64 GLY CA C 13 45.90 0.2 . 1 . . . . . . . . 4817 1 608 . 1 1 64 64 GLY HA2 H 1 4.30 0.1 . 1 . . . . . . . . 4817 1 609 . 1 1 64 64 GLY HA3 H 1 3.60 0.1 . 1 . . . . . . . . 4817 1 610 . 1 1 65 65 ASP H H 1 7.78 0.1 . 1 . . . . . . . . 4817 1 611 . 1 1 65 65 ASP N N 15 120.20 0.2 . 1 . . . . . . . . 4817 1 612 . 1 1 65 65 ASP CA C 13 53.10 0.2 . 1 . . . . . . . . 4817 1 613 . 1 1 65 65 ASP HA H 1 4.95 0.1 . 1 . . . . . . . . 4817 1 614 . 1 1 65 65 ASP CB C 13 42.30 0.2 . 1 . . . . . . . . 4817 1 615 . 1 1 65 65 ASP HB2 H 1 3.45 0.1 . 1 . . . . . . . . 4817 1 616 . 1 1 65 65 ASP HB3 H 1 2.80 0.1 . 1 . . . . . . . . 4817 1 617 . 1 1 66 66 VAL H H 1 8.96 0.1 . 1 . . . . . . . . 4817 1 618 . 1 1 66 66 VAL N N 15 125.21 0.2 . 1 . . . . . . . . 4817 1 619 . 1 1 66 66 VAL CA C 13 65.40 0.2 . 1 . . . . . . . . 4817 1 620 . 1 1 66 66 VAL HA H 1 4.45 0.1 . 1 . . . . . . . . 4817 1 621 . 1 1 66 66 VAL CB C 13 30.80 0.2 . 1 . . . . . . . . 4817 1 622 . 1 1 66 66 VAL HB H 1 3.60 0.1 . 1 . . . . . . . . 4817 1 623 . 1 1 66 66 VAL CG1 C 13 21.30 0.2 . 1 . . . . . . . . 4817 1 624 . 1 1 66 66 VAL CG2 C 13 21.30 0.2 . 1 . . . . . . . . 4817 1 625 . 1 1 66 66 VAL HG11 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 626 . 1 1 66 66 VAL HG12 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 627 . 1 1 66 66 VAL HG13 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 628 . 1 1 66 66 VAL HG21 H 1 0.75 0.1 . 1 . . . . . . . . 4817 1 629 . 1 1 66 66 VAL HG22 H 1 0.75 0.1 . 1 . . . . . . . . 4817 1 630 . 1 1 66 66 VAL HG23 H 1 0.75 0.1 . 1 . . . . . . . . 4817 1 631 . 1 1 67 67 GLU H H 1 8.29 0.1 . 1 . . . . . . . . 4817 1 632 . 1 1 67 67 GLU N N 15 130.11 0.2 . 1 . . . . . . . . 4817 1 633 . 1 1 67 67 GLU CA C 13 57.40 0.2 . 1 . . . . . . . . 4817 1 634 . 1 1 67 67 GLU HA H 1 4.50 0.1 . 1 . . . . . . . . 4817 1 635 . 1 1 67 67 GLU CB C 13 33.75 0.2 . 1 . . . . . . . . 4817 1 636 . 1 1 67 67 GLU HB2 H 1 1.55 0.1 . 1 . . . . . . . . 4817 1 637 . 1 1 67 67 GLU HB3 H 1 1.55 0.1 . 1 . . . . . . . . 4817 1 638 . 1 1 67 67 GLU CG C 13 35.55 0.2 . 1 . . . . . . . . 4817 1 639 . 1 1 67 67 GLU HG2 H 1 1.80 0.1 . 1 . . . . . . . . 4817 1 640 . 1 1 67 67 GLU HG3 H 1 1.80 0.1 . 1 . . . . . . . . 4817 1 641 . 1 1 68 68 PHE H H 1 7.53 0.1 . 1 . . . . . . . . 4817 1 642 . 1 1 68 68 PHE N N 15 111.76 0.2 . 1 . . . . . . . . 4817 1 643 . 1 1 68 68 PHE CA C 13 57.20 0.2 . 1 . . . . . . . . 4817 1 644 . 1 1 68 68 PHE HA H 1 5.10 0.1 . 1 . . . . . . . . 4817 1 645 . 1 1 68 68 PHE CB C 13 43.25 0.2 . 1 . . . . . . . . 4817 1 646 . 1 1 68 68 PHE HB2 H 1 3.17 0.1 . 1 . . . . . . . . 4817 1 647 . 1 1 68 68 PHE HB3 H 1 2.75 0.1 . 1 . . . . . . . . 4817 1 648 . 1 1 68 68 PHE HE1 H 1 7.16 0.1 . 1 . . . . . . . . 4817 1 649 . 1 1 68 68 PHE HE2 H 1 7.16 0.1 . 1 . . . . . . . . 4817 1 650 . 1 1 69 69 ILE H H 1 8.67 0.1 . 1 . . . . . . . . 4817 1 651 . 1 1 69 69 ILE N N 15 124.72 0.2 . 1 . . . . . . . . 4817 1 652 . 1 1 69 69 ILE CA C 13 62.20 0.2 . 1 . . . . . . . . 4817 1 653 . 1 1 69 69 ILE HA H 1 4.70 0.1 . 1 . . . . . . . . 4817 1 654 . 1 1 69 69 ILE CB C 13 38.80 0.2 . 1 . . . . . . . . 4817 1 655 . 1 1 69 69 ILE HB H 1 1.75 0.1 . 1 . . . . . . . . 4817 1 656 . 1 1 69 69 ILE CG1 C 13 27.55 0.2 . 1 . . . . . . . . 4817 1 657 . 1 1 69 69 ILE CG2 C 13 18.05 0.2 . 1 . . . . . . . . 4817 1 658 . 1 1 69 69 ILE HG12 H 1 1.45 0.1 . 1 . . . . . . . . 4817 1 659 . 1 1 69 69 ILE HG13 H 1 1.45 0.1 . 1 . . . . . . . . 4817 1 660 . 1 1 69 69 ILE HG21 H 1 1.15 0.1 . 1 . . . . . . . . 4817 1 661 . 1 1 69 69 ILE HG22 H 1 1.15 0.1 . 1 . . . . . . . . 4817 1 662 . 1 1 69 69 ILE HG23 H 1 1.15 0.1 . 1 . . . . . . . . 4817 1 663 . 1 1 69 69 ILE HD11 H 1 0.80 0.1 . 1 . . . . . . . . 4817 1 664 . 1 1 69 69 ILE HD12 H 1 0.80 0.1 . 1 . . . . . . . . 4817 1 665 . 1 1 69 69 ILE HD13 H 1 0.80 0.1 . 1 . . . . . . . . 4817 1 666 . 1 1 70 70 GLY H H 1 8.14 0.1 . 1 . . . . . . . . 4817 1 667 . 1 1 70 70 GLY N N 15 113.90 0.2 . 1 . . . . . . . . 4817 1 668 . 1 1 70 70 GLY CA C 13 44.10 0.2 . 1 . . . . . . . . 4817 1 669 . 1 1 70 70 GLY HA2 H 1 3.50 0.1 . 1 . . . . . . . . 4817 1 670 . 1 1 70 70 GLY HA3 H 1 3.50 0.1 . 1 . . . . . . . . 4817 1 671 . 1 1 71 71 ALA H H 1 8.31 0.1 . 1 . . . . . . . . 4817 1 672 . 1 1 71 71 ALA N N 15 120.14 0.2 . 1 . . . . . . . . 4817 1 673 . 1 1 71 71 ALA CA C 13 49.45 0.2 . 1 . . . . . . . . 4817 1 674 . 1 1 71 71 ALA HA H 1 4.45 0.1 . 1 . . . . . . . . 4817 1 675 . 1 1 71 71 ALA CB C 13 18.30 0.2 . 1 . . . . . . . . 4817 1 676 . 1 1 71 71 ALA HB1 H 1 1.30 0.1 . 1 . . . . . . . . 4817 1 677 . 1 1 71 71 ALA HB2 H 1 1.30 0.1 . 1 . . . . . . . . 4817 1 678 . 1 1 71 71 ALA HB3 H 1 1.30 0.1 . 1 . . . . . . . . 4817 1 679 . 1 1 72 72 PRO CA C 13 61.70 0.2 . 1 . . . . . . . . 4817 1 680 . 1 1 72 72 PRO HA H 1 4.70 0.1 . 1 . . . . . . . . 4817 1 681 . 1 1 72 72 PRO CB C 13 31.50 0.2 . 1 . . . . . . . . 4817 1 682 . 1 1 72 72 PRO HB2 H 1 1.50 0.1 . 1 . . . . . . . . 4817 1 683 . 1 1 72 72 PRO HB3 H 1 1.50 0.1 . 1 . . . . . . . . 4817 1 684 . 1 1 72 72 PRO CG C 13 26.25 0.2 . 1 . . . . . . . . 4817 1 685 . 1 1 72 72 PRO HG2 H 1 1.05 0.1 . 1 . . . . . . . . 4817 1 686 . 1 1 72 72 PRO HG3 H 1 1.05 0.1 . 1 . . . . . . . . 4817 1 687 . 1 1 72 72 PRO CD C 13 49.85 0.2 . 1 . . . . . . . . 4817 1 688 . 1 1 72 72 PRO HD2 H 1 3.80 0.1 . 1 . . . . . . . . 4817 1 689 . 1 1 72 72 PRO HD3 H 1 3.35 0.1 . 1 . . . . . . . . 4817 1 690 . 1 1 73 73 THR H H 1 7.67 0.1 . 1 . . . . . . . . 4817 1 691 . 1 1 73 73 THR N N 15 107.37 0.2 . 1 . . . . . . . . 4817 1 692 . 1 1 73 73 THR CA C 13 61.15 0.2 . 1 . . . . . . . . 4817 1 693 . 1 1 73 73 THR HA H 1 4.35 0.1 . 1 . . . . . . . . 4817 1 694 . 1 1 73 73 THR CB C 13 70.95 0.2 . 1 . . . . . . . . 4817 1 695 . 1 1 73 73 THR HB H 1 4.65 0.1 . 1 . . . . . . . . 4817 1 696 . 1 1 73 73 THR CG2 C 13 22.40 0.2 . 1 . . . . . . . . 4817 1 697 . 1 1 73 73 THR HG21 H 1 1.35 0.1 . 1 . . . . . . . . 4817 1 698 . 1 1 73 73 THR HG22 H 1 1.35 0.1 . 1 . . . . . . . . 4817 1 699 . 1 1 73 73 THR HG23 H 1 1.35 0.1 . 1 . . . . . . . . 4817 1 700 . 1 1 74 74 LYS H H 1 8.89 0.1 . 1 . . . . . . . . 4817 1 701 . 1 1 74 74 LYS N N 15 122.21 0.2 . 1 . . . . . . . . 4817 1 702 . 1 1 74 74 LYS CA C 13 60.85 0.2 . 1 . . . . . . . . 4817 1 703 . 1 1 74 74 LYS HA H 1 3.60 0.1 . 1 . . . . . . . . 4817 1 704 . 1 1 74 74 LYS CB C 13 32.45 0.2 . 1 . . . . . . . . 4817 1 705 . 1 1 74 74 LYS HB2 H 1 1.80 0.1 . 1 . . . . . . . . 4817 1 706 . 1 1 74 74 LYS HB3 H 1 1.80 0.1 . 1 . . . . . . . . 4817 1 707 . 1 1 74 74 LYS CG C 13 25.40 0.2 . 1 . . . . . . . . 4817 1 708 . 1 1 74 74 LYS HG2 H 1 1.30 0.1 . 1 . . . . . . . . 4817 1 709 . 1 1 74 74 LYS HG3 H 1 1.30 0.1 . 1 . . . . . . . . 4817 1 710 . 1 1 74 74 LYS CD C 13 29.80 0.2 . 1 . . . . . . . . 4817 1 711 . 1 1 74 74 LYS HD2 H 1 1.30 0.1 . 1 . . . . . . . . 4817 1 712 . 1 1 74 74 LYS HD3 H 1 1.30 0.1 . 1 . . . . . . . . 4817 1 713 . 1 1 74 74 LYS CE C 13 42.30 0.2 . 1 . . . . . . . . 4817 1 714 . 1 1 74 74 LYS HE2 H 1 2.90 0.1 . 1 . . . . . . . . 4817 1 715 . 1 1 74 74 LYS HE3 H 1 2.90 0.1 . 1 . . . . . . . . 4817 1 716 . 1 1 75 75 GLU H H 1 8.83 0.1 . 1 . . . . . . . . 4817 1 717 . 1 1 75 75 GLU N N 15 115.32 0.2 . 1 . . . . . . . . 4817 1 718 . 1 1 75 75 GLU CA C 13 60.75 0.2 . 1 . . . . . . . . 4817 1 719 . 1 1 75 75 GLU HA H 1 3.90 0.1 . 1 . . . . . . . . 4817 1 720 . 1 1 75 75 GLU CB C 13 29.10 0.2 . 1 . . . . . . . . 4817 1 721 . 1 1 75 75 GLU HB2 H 1 2.00 0.1 . 1 . . . . . . . . 4817 1 722 . 1 1 75 75 GLU HB3 H 1 2.00 0.1 . 1 . . . . . . . . 4817 1 723 . 1 1 75 75 GLU CG C 13 37.25 0.2 . 1 . . . . . . . . 4817 1 724 . 1 1 75 75 GLU HG2 H 1 2.35 0.1 . 1 . . . . . . . . 4817 1 725 . 1 1 75 75 GLU HG3 H 1 2.35 0.1 . 1 . . . . . . . . 4817 1 726 . 1 1 76 76 ALA H H 1 7.79 0.1 . 1 . . . . . . . . 4817 1 727 . 1 1 76 76 ALA N N 15 121.48 0.2 . 1 . . . . . . . . 4817 1 728 . 1 1 76 76 ALA CA C 13 55.00 0.2 . 1 . . . . . . . . 4817 1 729 . 1 1 76 76 ALA HA H 1 4.25 0.1 . 1 . . . . . . . . 4817 1 730 . 1 1 76 76 ALA CB C 13 18.90 0.2 . 1 . . . . . . . . 4817 1 731 . 1 1 76 76 ALA HB1 H 1 1.50 0.1 . 1 . . . . . . . . 4817 1 732 . 1 1 76 76 ALA HB2 H 1 1.50 0.1 . 1 . . . . . . . . 4817 1 733 . 1 1 76 76 ALA HB3 H 1 1.50 0.1 . 1 . . . . . . . . 4817 1 734 . 1 1 77 77 LEU H H 1 7.95 0.1 . 1 . . . . . . . . 4817 1 735 . 1 1 77 77 LEU N N 15 120.92 0.2 . 1 . . . . . . . . 4817 1 736 . 1 1 77 77 LEU CA C 13 58.50 0.2 . 1 . . . . . . . . 4817 1 737 . 1 1 77 77 LEU HA H 1 4.20 0.1 . 1 . . . . . . . . 4817 1 738 . 1 1 77 77 LEU CB C 13 41.55 0.2 . 1 . . . . . . . . 4817 1 739 . 1 1 77 77 LEU HB2 H 1 1.95 0.1 . 1 . . . . . . . . 4817 1 740 . 1 1 77 77 LEU HB3 H 1 1.95 0.1 . 1 . . . . . . . . 4817 1 741 . 1 1 77 77 LEU CG C 13 27.90 0.2 . 1 . . . . . . . . 4817 1 742 . 1 1 77 77 LEU HG H 1 1.65 0.1 . 2 . . . . . . . . 4817 1 743 . 1 1 77 77 LEU CD1 C 13 24.55 0.2 . 1 . . . . . . . . 4817 1 744 . 1 1 77 77 LEU CD2 C 13 24.55 0.2 . 1 . . . . . . . . 4817 1 745 . 1 1 77 77 LEU HD11 H 1 1.05 0.1 . 1 . . . . . . . . 4817 1 746 . 1 1 77 77 LEU HD12 H 1 1.05 0.1 . 1 . . . . . . . . 4817 1 747 . 1 1 77 77 LEU HD13 H 1 1.05 0.1 . 1 . . . . . . . . 4817 1 748 . 1 1 77 77 LEU HD21 H 1 0.85 0.1 . 1 . . . . . . . . 4817 1 749 . 1 1 77 77 LEU HD22 H 1 0.85 0.1 . 1 . . . . . . . . 4817 1 750 . 1 1 77 77 LEU HD23 H 1 0.85 0.1 . 1 . . . . . . . . 4817 1 751 . 1 1 78 78 VAL H H 1 8.76 0.1 . 1 . . . . . . . . 4817 1 752 . 1 1 78 78 VAL N N 15 118.64 0.2 . 1 . . . . . . . . 4817 1 753 . 1 1 78 78 VAL CA C 13 67.95 0.2 . 1 . . . . . . . . 4817 1 754 . 1 1 78 78 VAL HA H 1 3.50 0.1 . 1 . . . . . . . . 4817 1 755 . 1 1 78 78 VAL CB C 13 31.75 0.2 . 1 . . . . . . . . 4817 1 756 . 1 1 78 78 VAL HB H 1 2.15 0.1 . 1 . . . . . . . . 4817 1 757 . 1 1 78 78 VAL CG1 C 13 24.30 0.2 . 1 . . . . . . . . 4817 1 758 . 1 1 78 78 VAL CG2 C 13 24.30 0.2 . 1 . . . . . . . . 4817 1 759 . 1 1 78 78 VAL HG11 H 1 1.10 0.1 . 1 . . . . . . . . 4817 1 760 . 1 1 78 78 VAL HG12 H 1 1.10 0.1 . 1 . . . . . . . . 4817 1 761 . 1 1 78 78 VAL HG13 H 1 1.10 0.1 . 1 . . . . . . . . 4817 1 762 . 1 1 78 78 VAL HG21 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 763 . 1 1 78 78 VAL HG22 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 764 . 1 1 78 78 VAL HG23 H 1 1.00 0.1 . 1 . . . . . . . . 4817 1 765 . 1 1 79 79 GLU H H 1 8.01 0.1 . 1 . . . . . . . . 4817 1 766 . 1 1 79 79 GLU N N 15 118.19 0.2 . 1 . . . . . . . . 4817 1 767 . 1 1 79 79 GLU CA C 13 60.00 0.2 . 1 . . . . . . . . 4817 1 768 . 1 1 79 79 GLU HA H 1 4.02 0.1 . 1 . . . . . . . . 4817 1 769 . 1 1 79 79 GLU CB C 13 29.70 0.2 . 1 . . . . . . . . 4817 1 770 . 1 1 79 79 GLU HB2 H 1 2.15 0.1 . 1 . . . . . . . . 4817 1 771 . 1 1 79 79 GLU HB3 H 1 2.15 0.1 . 1 . . . . . . . . 4817 1 772 . 1 1 79 79 GLU CG C 13 36.35 0.2 . 1 . . . . . . . . 4817 1 773 . 1 1 79 79 GLU HG2 H 1 2.40 0.1 . 1 . . . . . . . . 4817 1 774 . 1 1 79 79 GLU HG3 H 1 2.40 0.1 . 1 . . . . . . . . 4817 1 775 . 1 1 80 80 ALA H H 1 7.67 0.1 . 1 . . . . . . . . 4817 1 776 . 1 1 80 80 ALA N N 15 119.77 0.2 . 1 . . . . . . . . 4817 1 777 . 1 1 80 80 ALA CA C 13 55.10 0.2 . 1 . . . . . . . . 4817 1 778 . 1 1 80 80 ALA HA H 1 4.20 0.1 . 1 . . . . . . . . 4817 1 779 . 1 1 80 80 ALA CB C 13 18.90 0.2 . 1 . . . . . . . . 4817 1 780 . 1 1 80 80 ALA HB1 H 1 1.70 0.1 . 1 . . . . . . . . 4817 1 781 . 1 1 80 80 ALA HB2 H 1 1.70 0.1 . 1 . . . . . . . . 4817 1 782 . 1 1 80 80 ALA HB3 H 1 1.70 0.1 . 1 . . . . . . . . 4817 1 783 . 1 1 81 81 ILE H H 1 7.99 0.1 . 1 . . . . . . . . 4817 1 784 . 1 1 81 81 ILE N N 15 118.28 0.2 . 1 . . . . . . . . 4817 1 785 . 1 1 81 81 ILE CA C 13 65.40 0.2 . 1 . . . . . . . . 4817 1 786 . 1 1 81 81 ILE HA H 1 3.65 0.1 . 1 . . . . . . . . 4817 1 787 . 1 1 81 81 ILE CB C 13 38.45 0.2 . 1 . . . . . . . . 4817 1 788 . 1 1 81 81 ILE HB H 1 2.00 0.1 . 1 . . . . . . . . 4817 1 789 . 1 1 81 81 ILE CG1 C 13 29.35 0.2 . 1 . . . . . . . . 4817 1 790 . 1 1 81 81 ILE CG2 C 13 17.45 0.2 . 1 . . . . . . . . 4817 1 791 . 1 1 81 81 ILE HG21 H 1 0.85 0.1 . 1 . . . . . . . . 4817 1 792 . 1 1 81 81 ILE HG22 H 1 0.85 0.1 . 1 . . . . . . . . 4817 1 793 . 1 1 81 81 ILE HG23 H 1 0.85 0.1 . 1 . . . . . . . . 4817 1 794 . 1 1 81 81 ILE CD1 C 13 15.80 0.2 . 1 . . . . . . . . 4817 1 795 . 1 1 82 82 LYS H H 1 8.65 0.1 . 1 . . . . . . . . 4817 1 796 . 1 1 82 82 LYS N N 15 117.69 0.2 . 1 . . . . . . . . 4817 1 797 . 1 1 82 82 LYS CA C 13 60.40 0.2 . 1 . . . . . . . . 4817 1 798 . 1 1 82 82 LYS HA H 1 3.90 0.1 . 1 . . . . . . . . 4817 1 799 . 1 1 82 82 LYS CB C 13 32.35 0.2 . 1 . . . . . . . . 4817 1 800 . 1 1 82 82 LYS HB2 H 1 1.95 0.1 . 1 . . . . . . . . 4817 1 801 . 1 1 82 82 LYS HB3 H 1 1.95 0.1 . 1 . . . . . . . . 4817 1 802 . 1 1 82 82 LYS CG C 13 26.35 0.2 . 1 . . . . . . . . 4817 1 803 . 1 1 82 82 LYS HG2 H 1 1.70 0.1 . 1 . . . . . . . . 4817 1 804 . 1 1 82 82 LYS HG3 H 1 1.70 0.1 . 1 . . . . . . . . 4817 1 805 . 1 1 82 82 LYS CD C 13 29.70 0.2 . 1 . . . . . . . . 4817 1 806 . 1 1 82 82 LYS HD2 H 1 1.40 0.1 . 1 . . . . . . . . 4817 1 807 . 1 1 82 82 LYS HD3 H 1 1.40 0.1 . 1 . . . . . . . . 4817 1 808 . 1 1 82 82 LYS CE C 13 42.05 0.2 . 1 . . . . . . . . 4817 1 809 . 1 1 82 82 LYS HE2 H 1 2.95 0.1 . 1 . . . . . . . . 4817 1 810 . 1 1 82 82 LYS HE3 H 1 2.95 0.1 . 1 . . . . . . . . 4817 1 811 . 1 1 83 83 LYS H H 1 7.50 0.1 . 1 . . . . . . . . 4817 1 812 . 1 1 83 83 LYS N N 15 115.63 0.2 . 1 . . . . . . . . 4817 1 813 . 1 1 83 83 LYS CA C 13 58.45 0.2 . 1 . . . . . . . . 4817 1 814 . 1 1 83 83 LYS HA H 1 4.25 0.1 . 1 . . . . . . . . 4817 1 815 . 1 1 83 83 LYS CB C 13 32.55 0.2 . 1 . . . . . . . . 4817 1 816 . 1 1 83 83 LYS HB2 H 1 2.00 0.1 . 1 . . . . . . . . 4817 1 817 . 1 1 83 83 LYS HB3 H 1 2.00 0.1 . 1 . . . . . . . . 4817 1 818 . 1 1 83 83 LYS CG C 13 25.25 0.2 . 1 . . . . . . . . 4817 1 819 . 1 1 83 83 LYS HG2 H 1 1.65 0.1 . 1 . . . . . . . . 4817 1 820 . 1 1 83 83 LYS HG3 H 1 1.65 0.1 . 1 . . . . . . . . 4817 1 821 . 1 1 83 83 LYS CD C 13 29.80 0.2 . 1 . . . . . . . . 4817 1 822 . 1 1 83 83 LYS HD2 H 1 1.65 0.1 . 1 . . . . . . . . 4817 1 823 . 1 1 83 83 LYS HD3 H 1 1.65 0.1 . 1 . . . . . . . . 4817 1 824 . 1 1 83 83 LYS CE C 13 46.95 0.2 . 1 . . . . . . . . 4817 1 825 . 1 1 83 83 LYS HE2 H 1 3.00 0.1 . 1 . . . . . . . . 4817 1 826 . 1 1 83 83 LYS HE3 H 1 3.00 0.1 . 1 . . . . . . . . 4817 1 827 . 1 1 84 84 ARG H H 1 7.76 0.1 . 1 . . . . . . . . 4817 1 828 . 1 1 84 84 ARG N N 15 117.77 0.2 . 1 . . . . . . . . 4817 1 829 . 1 1 84 84 ARG CA C 13 56.20 0.2 . 1 . . . . . . . . 4817 1 830 . 1 1 84 84 ARG HA H 1 4.45 0.1 . 1 . . . . . . . . 4817 1 831 . 1 1 84 84 ARG CB C 13 32.10 0.2 . 1 . . . . . . . . 4817 1 832 . 1 1 84 84 ARG HB2 H 1 2.20 0.1 . 1 . . . . . . . . 4817 1 833 . 1 1 84 84 ARG HB3 H 1 2.20 0.1 . 1 . . . . . . . . 4817 1 834 . 1 1 84 84 ARG CG C 13 29.20 0.2 . 1 . . . . . . . . 4817 1 835 . 1 1 84 84 ARG HG2 H 1 1.80 0.1 . 1 . . . . . . . . 4817 1 836 . 1 1 84 84 ARG HG3 H 1 1.80 0.1 . 1 . . . . . . . . 4817 1 837 . 1 1 84 84 ARG CD C 13 44.20 0.2 . 1 . . . . . . . . 4817 1 838 . 1 1 84 84 ARG HD2 H 1 3.15 0.1 . 1 . . . . . . . . 4817 1 839 . 1 1 84 84 ARG HD3 H 1 3.15 0.1 . 1 . . . . . . . . 4817 1 840 . 1 1 85 85 LEU H H 1 7.03 0.1 . 1 . . . . . . . . 4817 1 841 . 1 1 85 85 LEU N N 15 125.71 0.2 . 1 . . . . . . . . 4817 1 842 . 1 1 85 85 LEU CA C 13 57.00 0.2 . 1 . . . . . . . . 4817 1 843 . 1 1 85 85 LEU HA H 1 4.20 0.1 . 1 . . . . . . . . 4817 1 844 . 1 1 85 85 LEU CB C 13 43.00 0.2 . 1 . . . . . . . . 4817 1 845 . 1 1 85 85 LEU HB2 H 1 1.75 0.1 . 1 . . . . . . . . 4817 1 846 . 1 1 85 85 LEU HB3 H 1 1.75 0.1 . 1 . . . . . . . . 4817 1 847 . 1 1 85 85 LEU HG H 1 1.65 0.1 . 2 . . . . . . . . 4817 1 848 . 1 1 85 85 LEU HD11 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 849 . 1 1 85 85 LEU HD12 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 850 . 1 1 85 85 LEU HD13 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 851 . 1 1 85 85 LEU HD21 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 852 . 1 1 85 85 LEU HD22 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 853 . 1 1 85 85 LEU HD23 H 1 0.90 0.1 . 1 . . . . . . . . 4817 1 stop_ save_