data_6574 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6574 _Entry.Title ; MrR5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-31 _Entry.Accession_date 2005-04-14 _Entry.Last_release_date 2005-12-09 _Entry.Original_release_date 2005-12-09 _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 P. Rossi . . . 6574 2 J. Aramini . M. . 6574 3 R. Xiao . . . 6574 4 C. Ho . K. . 6574 5 L. Ma . C. . 6574 6 T. Acton . B. . 6574 7 G. Montelione . T. . 6574 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6574 coupling_constants 1 6574 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 482 6574 '13C chemical shifts' 306 6574 '15N chemical shifts' 68 6574 'coupling constants' 57 6574 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-12-09 2005-03-31 original author . 6574 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6574 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 P. Rossi . . . 6574 1 2 J. Aramini . M. . 6574 1 3 R. Xiao . . . 6574 1 4 C. Ho . K. . 6574 1 5 L. Ma . C. . 6574 1 6 T. Acton . B. . 6574 1 7 G. Montelione . T. . 6574 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MrR5 6574 1 'NMR Structure' 6574 1 AutoStructure 6574 1 AutoAssign 6574 1 'Northeast Structural Genomics' 6574 1 AutoQF 6574 1 PSI 6574 1 'Protein Structure Initiative' 6574 1 'Northeast Structural Genomics Consortium' 6574 1 NESG 6574 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 6574 _Assembly.ID 1 _Assembly.Name MrR5 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 6574 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 MrR5 1 $MrR5 . . . native . . . . . 6574 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID MrR5 system 6574 1 MrR5 abbreviation 6574 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MrR5 _Entity.Sf_category entity _Entity.Sf_framecode MrR5 _Entity.Entry_ID 6574 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MrR5 _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 ; MAFGKPAMKNVPVEAGKEYE VTIEDMGKGGDGIARIDGFV VFVPNAEKGSVINVKVTAVK EKFAFAERVL ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1YVC . "Solution Structure Of The Conserved Protein From The Gene Locus Mmp0076 Of Methanococcus Maripaludis. Northeast Structural Geno" . . . . . 100.00 70 100.00 100.00 1.38e-39 . . . . 6574 1 2 no DBJ BAP60196 . "hypothetical protein MMKA1_00790 [Methanococcus maripaludis KA1]" . . . . . 98.57 69 100.00 100.00 8.44e-39 . . . . 6574 1 3 no DBJ BAP62190 . "hypothetical protein MMOS7_01040 [Methanococcus maripaludis OS7]" . . . . . 98.57 69 100.00 100.00 8.44e-39 . . . . 6574 1 4 no EMBL CAF29632 . "conserved hypothetical protein [Methanococcus maripaludis S2]" . . . . . 98.57 69 100.00 100.00 8.44e-39 . . . . 6574 1 5 no GB ABO35898 . "deoxyribonuclease/rho motif-related TRAM [Methanococcus maripaludis C5]" . . . . . 98.57 69 97.10 98.55 2.65e-37 . . . . 6574 1 6 no GB ABR66141 . "deoxyribonuclease/rho motif-related TRAM [Methanococcus maripaludis C7]" . . . . . 98.57 69 97.10 98.55 2.65e-37 . . . . 6574 1 7 no GB ABX01687 . "deoxyribonuclease/rho motif-related TRAM [Methanococcus maripaludis C6]" . . . . . 98.57 69 97.10 98.55 2.65e-37 . . . . 6574 1 8 no GB AEK18968 . "deoxyribonuclease [Methanococcus maripaludis X1]" . . . . . 98.57 69 100.00 100.00 8.44e-39 . . . . 6574 1 9 no REF NP_987196 . "deoxyribonuclease [Methanococcus maripaludis S2]" . . . . . 98.57 69 100.00 100.00 8.44e-39 . . . . 6574 1 10 no REF WP_011170020 . "deoxyribonuclease [Methanococcus maripaludis]" . . . . . 98.57 69 100.00 100.00 8.44e-39 . . . . 6574 1 11 no REF WP_011869345 . "deoxyribonuclease [Methanococcus maripaludis]" . . . . . 98.57 69 97.10 98.55 2.65e-37 . . . . 6574 1 12 no REF YP_001098112 . "deoxyribonuclease [Methanococcus maripaludis C5]" . . . . . 98.57 69 97.10 98.55 2.65e-37 . . . . 6574 1 13 no REF YP_001330292 . "deoxyribonuclease [Methanococcus maripaludis C7]" . . . . . 98.57 69 97.10 98.55 2.65e-37 . . . . 6574 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MrR5 common 6574 1 MrR5 abbreviation 6574 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 . 6574 1 2 . ALA . 6574 1 3 . PHE . 6574 1 4 . GLY . 6574 1 5 . LYS . 6574 1 6 . PRO . 6574 1 7 . ALA . 6574 1 8 . MET . 6574 1 9 . LYS . 6574 1 10 . ASN . 6574 1 11 . VAL . 6574 1 12 . PRO . 6574 1 13 . VAL . 6574 1 14 . GLU . 6574 1 15 . ALA . 6574 1 16 . GLY . 6574 1 17 . LYS . 6574 1 18 . GLU . 6574 1 19 . TYR . 6574 1 20 . GLU . 6574 1 21 . VAL . 6574 1 22 . THR . 6574 1 23 . ILE . 6574 1 24 . GLU . 6574 1 25 . ASP . 6574 1 26 . MET . 6574 1 27 . GLY . 6574 1 28 . LYS . 6574 1 29 . GLY . 6574 1 30 . GLY . 6574 1 31 . ASP . 6574 1 32 . GLY . 6574 1 33 . ILE . 6574 1 34 . ALA . 6574 1 35 . ARG . 6574 1 36 . ILE . 6574 1 37 . ASP . 6574 1 38 . GLY . 6574 1 39 . PHE . 6574 1 40 . VAL . 6574 1 41 . VAL . 6574 1 42 . PHE . 6574 1 43 . VAL . 6574 1 44 . PRO . 6574 1 45 . ASN . 6574 1 46 . ALA . 6574 1 47 . GLU . 6574 1 48 . LYS . 6574 1 49 . GLY . 6574 1 50 . SER . 6574 1 51 . VAL . 6574 1 52 . ILE . 6574 1 53 . ASN . 6574 1 54 . VAL . 6574 1 55 . LYS . 6574 1 56 . VAL . 6574 1 57 . THR . 6574 1 58 . ALA . 6574 1 59 . VAL . 6574 1 60 . LYS . 6574 1 61 . GLU . 6574 1 62 . LYS . 6574 1 63 . PHE . 6574 1 64 . ALA . 6574 1 65 . PHE . 6574 1 66 . ALA . 6574 1 67 . GLU . 6574 1 68 . ARG . 6574 1 69 . VAL . 6574 1 70 . LEU . 6574 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 6574 1 . ALA 2 2 6574 1 . PHE 3 3 6574 1 . GLY 4 4 6574 1 . LYS 5 5 6574 1 . PRO 6 6 6574 1 . ALA 7 7 6574 1 . MET 8 8 6574 1 . LYS 9 9 6574 1 . ASN 10 10 6574 1 . VAL 11 11 6574 1 . PRO 12 12 6574 1 . VAL 13 13 6574 1 . GLU 14 14 6574 1 . ALA 15 15 6574 1 . GLY 16 16 6574 1 . LYS 17 17 6574 1 . GLU 18 18 6574 1 . TYR 19 19 6574 1 . GLU 20 20 6574 1 . VAL 21 21 6574 1 . THR 22 22 6574 1 . ILE 23 23 6574 1 . GLU 24 24 6574 1 . ASP 25 25 6574 1 . MET 26 26 6574 1 . GLY 27 27 6574 1 . LYS 28 28 6574 1 . GLY 29 29 6574 1 . GLY 30 30 6574 1 . ASP 31 31 6574 1 . GLY 32 32 6574 1 . ILE 33 33 6574 1 . ALA 34 34 6574 1 . ARG 35 35 6574 1 . ILE 36 36 6574 1 . ASP 37 37 6574 1 . GLY 38 38 6574 1 . PHE 39 39 6574 1 . VAL 40 40 6574 1 . VAL 41 41 6574 1 . PHE 42 42 6574 1 . VAL 43 43 6574 1 . PRO 44 44 6574 1 . ASN 45 45 6574 1 . ALA 46 46 6574 1 . GLU 47 47 6574 1 . LYS 48 48 6574 1 . GLY 49 49 6574 1 . SER 50 50 6574 1 . VAL 51 51 6574 1 . ILE 52 52 6574 1 . ASN 53 53 6574 1 . VAL 54 54 6574 1 . LYS 55 55 6574 1 . VAL 56 56 6574 1 . THR 57 57 6574 1 . ALA 58 58 6574 1 . VAL 59 59 6574 1 . LYS 60 60 6574 1 . GLU 61 61 6574 1 . LYS 62 62 6574 1 . PHE 63 63 6574 1 . ALA 64 64 6574 1 . PHE 65 65 6574 1 . ALA 66 66 6574 1 . GLU 67 67 6574 1 . ARG 68 68 6574 1 . VAL 69 69 6574 1 . LEU 70 70 6574 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 6574 _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 $MrR5 . 39152 . . 'Methanococcus maripaludis' 'Methanococcus maripaludis' . . Archaea . Methanococcus maripaludis . . . . . . . . . . . . . . . . . . . . . 6574 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 6574 _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 $MrR5 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6574 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6574 _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 MrR5 '[U-15N; U-5% 13C]' . . 1 $MrR5 . . 1.1 . . mM . . . . 6574 1 2 DTT . . . . . . . 10 . . mM . . . . 6574 1 3 CaCl2 . . . . . . . 5 . . mM . . . . 6574 1 4 NaCl . . . . . . . 100 . . mM . . . . 6574 1 5 NH4OAc . . . . . . . 20 . . mM . . . . 6574 1 6 NaN3 . . . . . . . 0.02 . . % . . . . 6574 1 7 D2O . . . . . . . 5 . . % . . . . 6574 1 8 H2O . . . . . . . 95 . . % . . . . 6574 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6574 _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 MrR5 '[U-15N; U-13C]' . . 1 $MrR5 . . 1.2 . . mM . . . . 6574 2 2 DTT . . . . . . . 10 . . mM . . . . 6574 2 3 CaCl2 . . . . . . . 5 . . mM . . . . 6574 2 4 NaCl . . . . . . . 100 . . mM . . . . 6574 2 5 NH4OAc . . . . . . . 20 . . mM . . . . 6574 2 6 NaN3 . . . . . . . 0.02 . . % . . . . 6574 2 7 D2O . . . . . . . 5 . . % . . . . 6574 2 8 H2O . . . . . . . 95 . . % . . . . 6574 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6574 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.5 . pH 6574 1 temperature 293 . K 6574 1 'ionic strength' 100 . mM 6574 1 pressure 1 . atm 6574 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 6574 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1 _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6574 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6574 _Software.ID 2 _Software.Name XWINNMR _Software.Version 3.5 _Software.Details 'Bruker Biospin' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6574 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6574 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details 'Delaglio (NIH)' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6574 3 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6574 _Software.ID 4 _Software.Name Sparky _Software.Version 3.91 _Software.Details 'Goddard (UCSF)' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6574 4 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 6574 _Software.ID 5 _Software.Name AutoAssign _Software.Version 1.15.1 _Software.Details 'Zimmerman (Rutgers)' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6574 5 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 6574 _Software.ID 6 _Software.Name AutoStructure _Software.Version 2.1.0 _Software.Details 'Huang (Rutgers)' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6574 6 refinement 6574 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6574 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 6574 _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 Bruker AVANCE . 500 . . . 6574 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 6574 _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 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6574 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6574 1 3 HcCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6574 1 4 'Hi-Res CH-HSQC(st. Me assign)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6574 1 5 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6574 1 6 HetNOE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6574 1 7 'TR backbone' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6574 1 8 H,C_TOCSYs . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6574 1 9 NH-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6574 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 6574 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated 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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6574 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6574 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HcCH-COSY _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 6574 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'Hi-Res CH-HSQC(st. Me assign)' _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 6574 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNHA _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 6574 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HetNOE _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 6574 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 'TR backbone' _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 6574 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name H,C_TOCSYs _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 6574 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name NH-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_ #################### # 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 6574 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct . external cylindrical parallel . . . . . . 6574 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect . external cylindrical parallel . . . . . . 6574 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect . external cylindrical parallel . . . . . . 6574 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 6574 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_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 '3D 13C-separated NOESY' . . . 6574 1 2 '3D 15N-separated NOESY' . . . 6574 1 3 HcCH-COSY . . . 6574 1 4 'Hi-Res CH-HSQC(st. Me assign)' . . . 6574 1 5 HNHA . . . 6574 1 6 HetNOE . . . 6574 1 7 'TR backbone' . . . 6574 1 8 H,C_TOCSYs . . . 6574 1 9 NH-HSQC . . . 6574 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 2 2 ALA HA H 1 4.072 . . 1 . . . . . . . . 6574 1 2 . 1 1 2 2 ALA HB1 H 1 1.504 . . 1 . . . . . . . . 6574 1 3 . 1 1 2 2 ALA HB2 H 1 1.504 . . 1 . . . . . . . . 6574 1 4 . 1 1 2 2 ALA HB3 H 1 1.504 . . 1 . . . . . . . . 6574 1 5 . 1 1 2 2 ALA C C 13 174.252 . . 1 . . . . . . . . 6574 1 6 . 1 1 2 2 ALA CA C 13 51.809 . . 1 . . . . . . . . 6574 1 7 . 1 1 2 2 ALA CB C 13 19.445 . . 1 . . . . . . . . 6574 1 8 . 1 1 3 3 PHE H H 1 8.745 . . 1 . . . . . . . . 6574 1 9 . 1 1 3 3 PHE HA H 1 4.666 . . 1 . . . . . . . . 6574 1 10 . 1 1 3 3 PHE HB2 H 1 3.210 . . 2 . . . . . . . . 6574 1 11 . 1 1 3 3 PHE HB3 H 1 3.134 . . 2 . . . . . . . . 6574 1 12 . 1 1 3 3 PHE C C 13 176.134 . . 1 . . . . . . . . 6574 1 13 . 1 1 3 3 PHE CA C 13 58.310 . . 1 . . . . . . . . 6574 1 14 . 1 1 3 3 PHE CB C 13 39.489 . . 1 . . . . . . . . 6574 1 15 . 1 1 3 3 PHE N N 15 120.179 . . 1 . . . . . . . . 6574 1 16 . 1 1 4 4 GLY H H 1 8.433 . . 1 . . . . . . . . 6574 1 17 . 1 1 4 4 GLY HA2 H 1 3.917 . . 2 . . . . . . . . 6574 1 18 . 1 1 4 4 GLY HA3 H 1 3.913 . . 2 . . . . . . . . 6574 1 19 . 1 1 4 4 GLY C C 13 173.456 . . 1 . . . . . . . . 6574 1 20 . 1 1 4 4 GLY CA C 13 45.140 . . 1 . . . . . . . . 6574 1 21 . 1 1 4 4 GLY N N 15 111.293 . . 1 . . . . . . . . 6574 1 22 . 1 1 5 5 LYS H H 1 8.136 . . 1 . . . . . . . . 6574 1 23 . 1 1 5 5 LYS HA H 1 4.674 . . 1 . . . . . . . . 6574 1 24 . 1 1 5 5 LYS HB2 H 1 1.863 . . 2 . . . . . . . . 6574 1 25 . 1 1 5 5 LYS HB3 H 1 1.753 . . 2 . . . . . . . . 6574 1 26 . 1 1 5 5 LYS HG2 H 1 1.512 . . 2 . . . . . . . . 6574 1 27 . 1 1 5 5 LYS HG3 H 1 1.492 . . 2 . . . . . . . . 6574 1 28 . 1 1 5 5 LYS HD2 H 1 1.740 . . 2 . . . . . . . . 6574 1 29 . 1 1 5 5 LYS HD3 H 1 1.733 . . 2 . . . . . . . . 6574 1 30 . 1 1 5 5 LYS HE2 H 1 3.058 . . 2 . . . . . . . . 6574 1 31 . 1 1 5 5 LYS HE3 H 1 3.044 . . 2 . . . . . . . . 6574 1 32 . 1 1 5 5 LYS C C 13 175.404 . . 1 . . . . . . . . 6574 1 33 . 1 1 5 5 LYS CA C 13 54.216 . . 1 . . . . . . . . 6574 1 34 . 1 1 5 5 LYS CB C 13 32.634 . . 1 . . . . . . . . 6574 1 35 . 1 1 5 5 LYS CG C 13 24.800 . . 1 . . . . . . . . 6574 1 36 . 1 1 5 5 LYS CD C 13 29.540 . . 1 . . . . . . . . 6574 1 37 . 1 1 5 5 LYS CE C 13 42.000 . . 1 . . . . . . . . 6574 1 38 . 1 1 5 5 LYS N N 15 122.133 . . 1 . . . . . . . . 6574 1 39 . 1 1 6 6 PRO HA H 1 4.447 . . 1 . . . . . . . . 6574 1 40 . 1 1 6 6 PRO HB2 H 1 2.288 . . 2 . . . . . . . . 6574 1 41 . 1 1 6 6 PRO HB3 H 1 1.938 . . 2 . . . . . . . . 6574 1 42 . 1 1 6 6 PRO HG2 H 1 2.072 . . 2 . . . . . . . . 6574 1 43 . 1 1 6 6 PRO HG3 H 1 2.074 . . 2 . . . . . . . . 6574 1 44 . 1 1 6 6 PRO HD2 H 1 3.879 . . 2 . . . . . . . . 6574 1 45 . 1 1 6 6 PRO HD3 H 1 3.689 . . 2 . . . . . . . . 6574 1 46 . 1 1 6 6 PRO C C 13 176.618 . . 1 . . . . . . . . 6574 1 47 . 1 1 6 6 PRO CA C 13 63.229 . . 1 . . . . . . . . 6574 1 48 . 1 1 6 6 PRO CB C 13 32.231 . . 1 . . . . . . . . 6574 1 49 . 1 1 6 6 PRO CG C 13 27.472 . . 1 . . . . . . . . 6574 1 50 . 1 1 6 6 PRO CD C 13 50.754 . . 1 . . . . . . . . 6574 1 51 . 1 1 7 7 ALA H H 1 8.479 . . 1 . . . . . . . . 6574 1 52 . 1 1 7 7 ALA HA H 1 4.324 . . 1 . . . . . . . . 6574 1 53 . 1 1 7 7 ALA HB1 H 1 1.423 . . 1 . . . . . . . . 6574 1 54 . 1 1 7 7 ALA HB2 H 1 1.423 . . 1 . . . . . . . . 6574 1 55 . 1 1 7 7 ALA HB3 H 1 1.423 . . 1 . . . . . . . . 6574 1 56 . 1 1 7 7 ALA C C 13 177.837 . . 1 . . . . . . . . 6574 1 57 . 1 1 7 7 ALA CA C 13 52.485 . . 1 . . . . . . . . 6574 1 58 . 1 1 7 7 ALA CB C 13 19.278 . . 1 . . . . . . . . 6574 1 59 . 1 1 7 7 ALA N N 15 124.645 . . 1 . . . . . . . . 6574 1 60 . 1 1 8 8 MET H H 1 8.395 . . 1 . . . . . . . . 6574 1 61 . 1 1 8 8 MET HA H 1 4.492 . . 1 . . . . . . . . 6574 1 62 . 1 1 8 8 MET HB2 H 1 2.113 . . 2 . . . . . . . . 6574 1 63 . 1 1 8 8 MET HB3 H 1 2.041 . . 2 . . . . . . . . 6574 1 64 . 1 1 8 8 MET HG2 H 1 2.650 . . 2 . . . . . . . . 6574 1 65 . 1 1 8 8 MET HG3 H 1 2.578 . . 2 . . . . . . . . 6574 1 66 . 1 1 8 8 MET C C 13 176.093 . . 1 . . . . . . . . 6574 1 67 . 1 1 8 8 MET CA C 13 55.480 . . 1 . . . . . . . . 6574 1 68 . 1 1 8 8 MET CB C 13 33.055 . . 1 . . . . . . . . 6574 1 69 . 1 1 8 8 MET CG C 13 32.162 . . 1 . . . . . . . . 6574 1 70 . 1 1 8 8 MET N N 15 120.300 . . 1 . . . . . . . . 6574 1 71 . 1 1 9 9 LYS H H 1 8.409 . . 1 . . . . . . . . 6574 1 72 . 1 1 9 9 LYS HA H 1 4.352 . . 1 . . . . . . . . 6574 1 73 . 1 1 9 9 LYS HB2 H 1 1.844 . . 2 . . . . . . . . 6574 1 74 . 1 1 9 9 LYS HB3 H 1 1.784 . . 2 . . . . . . . . 6574 1 75 . 1 1 9 9 LYS HG2 H 1 1.495 . . 2 . . . . . . . . 6574 1 76 . 1 1 9 9 LYS HG3 H 1 1.462 . . 2 . . . . . . . . 6574 1 77 . 1 1 9 9 LYS HD2 H 1 1.738 . . 2 . . . . . . . . 6574 1 78 . 1 1 9 9 LYS HD3 H 1 1.741 . . 2 . . . . . . . . 6574 1 79 . 1 1 9 9 LYS HE2 H 1 3.045 . . 2 . . . . . . . . 6574 1 80 . 1 1 9 9 LYS HE3 H 1 3.047 . . 2 . . . . . . . . 6574 1 81 . 1 1 9 9 LYS C C 13 176.074 . . 1 . . . . . . . . 6574 1 82 . 1 1 9 9 LYS CA C 13 56.327 . . 1 . . . . . . . . 6574 1 83 . 1 1 9 9 LYS CB C 13 33.408 . . 1 . . . . . . . . 6574 1 84 . 1 1 9 9 LYS CG C 13 24.900 . . 1 . . . . . . . . 6574 1 85 . 1 1 9 9 LYS CD C 13 29.300 . . 1 . . . . . . . . 6574 1 86 . 1 1 9 9 LYS CE C 13 42.300 . . 1 . . . . . . . . 6574 1 87 . 1 1 9 9 LYS N N 15 123.018 . . 1 . . . . . . . . 6574 1 88 . 1 1 10 10 ASN H H 1 8.525 . . 1 . . . . . . . . 6574 1 89 . 1 1 10 10 ASN HA H 1 4.716 . . 1 . . . . . . . . 6574 1 90 . 1 1 10 10 ASN HB2 H 1 2.816 . . 2 . . . . . . . . 6574 1 91 . 1 1 10 10 ASN HB3 H 1 2.747 . . 2 . . . . . . . . 6574 1 92 . 1 1 10 10 ASN HD21 H 1 7.643 . . 1 . . . . . . . . 6574 1 93 . 1 1 10 10 ASN HD22 H 1 6.931 . . 1 . . . . . . . . 6574 1 94 . 1 1 10 10 ASN C C 13 174.681 . . 1 . . . . . . . . 6574 1 95 . 1 1 10 10 ASN CA C 13 53.302 . . 1 . . . . . . . . 6574 1 96 . 1 1 10 10 ASN CB C 13 39.100 . . 1 . . . . . . . . 6574 1 97 . 1 1 10 10 ASN CG C 13 176.994 . . 1 . . . . . . . . 6574 1 98 . 1 1 10 10 ASN N N 15 120.311 . . 1 . . . . . . . . 6574 1 99 . 1 1 10 10 ASN ND2 N 15 113.020 . . 1 . . . . . . . . 6574 1 100 . 1 1 11 11 VAL H H 1 8.142 . . 1 . . . . . . . . 6574 1 101 . 1 1 11 11 VAL HA H 1 4.267 . . 1 . . . . . . . . 6574 1 102 . 1 1 11 11 VAL HB H 1 1.850 . . 1 . . . . . . . . 6574 1 103 . 1 1 11 11 VAL HG11 H 1 0.762 . . 1 . . . . . . . . 6574 1 104 . 1 1 11 11 VAL HG12 H 1 0.762 . . 1 . . . . . . . . 6574 1 105 . 1 1 11 11 VAL HG13 H 1 0.762 . . 1 . . . . . . . . 6574 1 106 . 1 1 11 11 VAL HG21 H 1 0.881 . . 1 . . . . . . . . 6574 1 107 . 1 1 11 11 VAL HG22 H 1 0.881 . . 1 . . . . . . . . 6574 1 108 . 1 1 11 11 VAL HG23 H 1 0.881 . . 1 . . . . . . . . 6574 1 109 . 1 1 11 11 VAL C C 13 175.402 . . 1 . . . . . . . . 6574 1 110 . 1 1 11 11 VAL CA C 13 59.684 . . 1 . . . . . . . . 6574 1 111 . 1 1 11 11 VAL CB C 13 32.642 . . 1 . . . . . . . . 6574 1 112 . 1 1 11 11 VAL CG1 C 13 21.387 . . 1 . . . . . . . . 6574 1 113 . 1 1 11 11 VAL CG2 C 13 20.516 . . 1 . . . . . . . . 6574 1 114 . 1 1 11 11 VAL N N 15 121.850 . . 1 . . . . . . . . 6574 1 115 . 1 1 12 12 PRO HA H 1 4.369 . . 1 . . . . . . . . 6574 1 116 . 1 1 12 12 PRO HB2 H 1 2.234 . . 2 . . . . . . . . 6574 1 117 . 1 1 12 12 PRO HB3 H 1 1.860 . . 2 . . . . . . . . 6574 1 118 . 1 1 12 12 PRO HG2 H 1 2.145 . . 2 . . . . . . . . 6574 1 119 . 1 1 12 12 PRO HG3 H 1 1.703 . . 2 . . . . . . . . 6574 1 120 . 1 1 12 12 PRO HD2 H 1 3.729 . . 2 . . . . . . . . 6574 1 121 . 1 1 12 12 PRO HD3 H 1 3.116 . . 2 . . . . . . . . 6574 1 122 . 1 1 12 12 PRO C C 13 175.686 . . 1 . . . . . . . . 6574 1 123 . 1 1 12 12 PRO CA C 13 64.064 . . 1 . . . . . . . . 6574 1 124 . 1 1 12 12 PRO CB C 13 32.442 . . 1 . . . . . . . . 6574 1 125 . 1 1 12 12 PRO CG C 13 27.289 . . 1 . . . . . . . . 6574 1 126 . 1 1 12 12 PRO CD C 13 50.989 . . 1 . . . . . . . . 6574 1 127 . 1 1 13 13 VAL H H 1 6.385 . . 1 . . . . . . . . 6574 1 128 . 1 1 13 13 VAL HA H 1 4.378 . . 1 . . . . . . . . 6574 1 129 . 1 1 13 13 VAL HB H 1 1.419 . . 1 . . . . . . . . 6574 1 130 . 1 1 13 13 VAL HG11 H 1 0.267 . . 1 . . . . . . . . 6574 1 131 . 1 1 13 13 VAL HG12 H 1 0.267 . . 1 . . . . . . . . 6574 1 132 . 1 1 13 13 VAL HG13 H 1 0.267 . . 1 . . . . . . . . 6574 1 133 . 1 1 13 13 VAL HG21 H 1 0.406 . . 1 . . . . . . . . 6574 1 134 . 1 1 13 13 VAL HG22 H 1 0.406 . . 1 . . . . . . . . 6574 1 135 . 1 1 13 13 VAL HG23 H 1 0.406 . . 1 . . . . . . . . 6574 1 136 . 1 1 13 13 VAL C C 13 173.482 . . 1 . . . . . . . . 6574 1 137 . 1 1 13 13 VAL CA C 13 59.591 . . 1 . . . . . . . . 6574 1 138 . 1 1 13 13 VAL CB C 13 34.466 . . 1 . . . . . . . . 6574 1 139 . 1 1 13 13 VAL CG1 C 13 22.547 . . 1 . . . . . . . . 6574 1 140 . 1 1 13 13 VAL CG2 C 13 20.407 . . 1 . . . . . . . . 6574 1 141 . 1 1 13 13 VAL N N 15 111.264 . . 1 . . . . . . . . 6574 1 142 . 1 1 14 14 GLU H H 1 7.881 . . 1 . . . . . . . . 6574 1 143 . 1 1 14 14 GLU HA H 1 4.483 . . 1 . . . . . . . . 6574 1 144 . 1 1 14 14 GLU HB2 H 1 1.980 . . 2 . . . . . . . . 6574 1 145 . 1 1 14 14 GLU HB3 H 1 1.795 . . 2 . . . . . . . . 6574 1 146 . 1 1 14 14 GLU HG2 H 1 2.210 . . 2 . . . . . . . . 6574 1 147 . 1 1 14 14 GLU HG3 H 1 2.168 . . 2 . . . . . . . . 6574 1 148 . 1 1 14 14 GLU C C 13 174.770 . . 1 . . . . . . . . 6574 1 149 . 1 1 14 14 GLU CA C 13 54.422 . . 1 . . . . . . . . 6574 1 150 . 1 1 14 14 GLU CB C 13 33.562 . . 1 . . . . . . . . 6574 1 151 . 1 1 14 14 GLU CG C 13 36.100 . . 1 . . . . . . . . 6574 1 152 . 1 1 14 14 GLU N N 15 120.834 . . 1 . . . . . . . . 6574 1 153 . 1 1 15 15 ALA H H 1 8.758 . . 1 . . . . . . . . 6574 1 154 . 1 1 15 15 ALA HA H 1 3.890 . . 1 . . . . . . . . 6574 1 155 . 1 1 15 15 ALA HB1 H 1 1.362 . . 1 . . . . . . . . 6574 1 156 . 1 1 15 15 ALA HB2 H 1 1.362 . . 1 . . . . . . . . 6574 1 157 . 1 1 15 15 ALA HB3 H 1 1.362 . . 1 . . . . . . . . 6574 1 158 . 1 1 15 15 ALA C C 13 178.359 . . 1 . . . . . . . . 6574 1 159 . 1 1 15 15 ALA CA C 13 53.303 . . 1 . . . . . . . . 6574 1 160 . 1 1 15 15 ALA CB C 13 17.696 . . 1 . . . . . . . . 6574 1 161 . 1 1 15 15 ALA N N 15 124.615 . . 1 . . . . . . . . 6574 1 162 . 1 1 16 16 GLY H H 1 9.189 . . 1 . . . . . . . . 6574 1 163 . 1 1 16 16 GLY HA2 H 1 4.422 . . 2 . . . . . . . . 6574 1 164 . 1 1 16 16 GLY HA3 H 1 3.691 . . 2 . . . . . . . . 6574 1 165 . 1 1 16 16 GLY C C 13 173.574 . . 1 . . . . . . . . 6574 1 166 . 1 1 16 16 GLY CA C 13 45.229 . . 1 . . . . . . . . 6574 1 167 . 1 1 16 16 GLY N N 15 110.784 . . 1 . . . . . . . . 6574 1 168 . 1 1 17 17 LYS H H 1 7.547 . . 1 . . . . . . . . 6574 1 169 . 1 1 17 17 LYS HA H 1 4.495 . . 1 . . . . . . . . 6574 1 170 . 1 1 17 17 LYS HB2 H 1 2.122 . . 2 . . . . . . . . 6574 1 171 . 1 1 17 17 LYS HB3 H 1 1.662 . . 2 . . . . . . . . 6574 1 172 . 1 1 17 17 LYS HG2 H 1 1.385 . . 2 . . . . . . . . 6574 1 173 . 1 1 17 17 LYS HG3 H 1 1.118 . . 2 . . . . . . . . 6574 1 174 . 1 1 17 17 LYS HD2 H 1 1.618 . . 1 . . . . . . . . 6574 1 175 . 1 1 17 17 LYS HD3 H 1 1.618 . . 1 . . . . . . . . 6574 1 176 . 1 1 17 17 LYS HE2 H 1 2.894 . . 2 . . . . . . . . 6574 1 177 . 1 1 17 17 LYS HE3 H 1 2.887 . . 2 . . . . . . . . 6574 1 178 . 1 1 17 17 LYS C C 13 174.222 . . 1 . . . . . . . . 6574 1 179 . 1 1 17 17 LYS CA C 13 55.668 . . 1 . . . . . . . . 6574 1 180 . 1 1 17 17 LYS CB C 13 33.812 . . 1 . . . . . . . . 6574 1 181 . 1 1 17 17 LYS CG C 13 26.529 . . 1 . . . . . . . . 6574 1 182 . 1 1 17 17 LYS CD C 13 29.060 . . 1 . . . . . . . . 6574 1 183 . 1 1 17 17 LYS CE C 13 42.535 . . 1 . . . . . . . . 6574 1 184 . 1 1 17 17 LYS N N 15 120.763 . . 1 . . . . . . . . 6574 1 185 . 1 1 18 18 GLU H H 1 7.813 . . 1 . . . . . . . . 6574 1 186 . 1 1 18 18 GLU HA H 1 5.686 . . 1 . . . . . . . . 6574 1 187 . 1 1 18 18 GLU HB2 H 1 1.998 . . 2 . . . . . . . . 6574 1 188 . 1 1 18 18 GLU HB3 H 1 1.760 . . 2 . . . . . . . . 6574 1 189 . 1 1 18 18 GLU HG2 H 1 2.263 . . 2 . . . . . . . . 6574 1 190 . 1 1 18 18 GLU HG3 H 1 2.013 . . 2 . . . . . . . . 6574 1 191 . 1 1 18 18 GLU C C 13 175.970 . . 1 . . . . . . . . 6574 1 192 . 1 1 18 18 GLU CA C 13 54.079 . . 1 . . . . . . . . 6574 1 193 . 1 1 18 18 GLU CB C 13 31.641 . . 1 . . . . . . . . 6574 1 194 . 1 1 18 18 GLU CG C 13 36.134 . . 1 . . . . . . . . 6574 1 195 . 1 1 18 18 GLU N N 15 119.463 . . 1 . . . . . . . . 6574 1 196 . 1 1 19 19 TYR H H 1 9.077 . . 1 . . . . . . . . 6574 1 197 . 1 1 19 19 TYR HA H 1 4.667 . . 1 . . . . . . . . 6574 1 198 . 1 1 19 19 TYR HB2 H 1 2.974 . . 2 . . . . . . . . 6574 1 199 . 1 1 19 19 TYR HB3 H 1 2.237 . . 2 . . . . . . . . 6574 1 200 . 1 1 19 19 TYR HD1 H 1 6.982 . . 1 . . . . . . . . 6574 1 201 . 1 1 19 19 TYR HD2 H 1 6.982 . . 1 . . . . . . . . 6574 1 202 . 1 1 19 19 TYR HE1 H 1 6.761 . . 1 . . . . . . . . 6574 1 203 . 1 1 19 19 TYR HE2 H 1 6.761 . . 1 . . . . . . . . 6574 1 204 . 1 1 19 19 TYR C C 13 173.971 . . 1 . . . . . . . . 6574 1 205 . 1 1 19 19 TYR CA C 13 56.995 . . 1 . . . . . . . . 6574 1 206 . 1 1 19 19 TYR CB C 13 43.316 . . 1 . . . . . . . . 6574 1 207 . 1 1 19 19 TYR CD1 C 13 133.903 . . 1 . . . . . . . . 6574 1 208 . 1 1 19 19 TYR CD2 C 13 133.903 . . 1 . . . . . . . . 6574 1 209 . 1 1 19 19 TYR CE1 C 13 118.006 . . 2 . . . . . . . . 6574 1 210 . 1 1 19 19 TYR CE2 C 13 118.005 . . 2 . . . . . . . . 6574 1 211 . 1 1 19 19 TYR N N 15 119.903 . . 1 . . . . . . . . 6574 1 212 . 1 1 20 20 GLU H H 1 8.711 . . 1 . . . . . . . . 6574 1 213 . 1 1 20 20 GLU HA H 1 5.122 . . 1 . . . . . . . . 6574 1 214 . 1 1 20 20 GLU HB2 H 1 2.046 . . 2 . . . . . . . . 6574 1 215 . 1 1 20 20 GLU HB3 H 1 1.957 . . 2 . . . . . . . . 6574 1 216 . 1 1 20 20 GLU HG2 H 1 2.068 . . 2 . . . . . . . . 6574 1 217 . 1 1 20 20 GLU HG3 H 1 2.046 . . 2 . . . . . . . . 6574 1 218 . 1 1 20 20 GLU C C 13 176.442 . . 1 . . . . . . . . 6574 1 219 . 1 1 20 20 GLU CA C 13 55.799 . . 1 . . . . . . . . 6574 1 220 . 1 1 20 20 GLU CB C 13 30.371 . . 1 . . . . . . . . 6574 1 221 . 1 1 20 20 GLU CG C 13 36.227 . . 1 . . . . . . . . 6574 1 222 . 1 1 20 20 GLU N N 15 124.200 . . 1 . . . . . . . . 6574 1 223 . 1 1 21 21 VAL H H 1 9.245 . . 1 . . . . . . . . 6574 1 224 . 1 1 21 21 VAL HA H 1 4.961 . . 1 . . . . . . . . 6574 1 225 . 1 1 21 21 VAL HB H 1 2.038 . . 1 . . . . . . . . 6574 1 226 . 1 1 21 21 VAL HG11 H 1 0.698 . . 1 . . . . . . . . 6574 1 227 . 1 1 21 21 VAL HG12 H 1 0.698 . . 1 . . . . . . . . 6574 1 228 . 1 1 21 21 VAL HG13 H 1 0.698 . . 1 . . . . . . . . 6574 1 229 . 1 1 21 21 VAL HG21 H 1 0.631 . . 1 . . . . . . . . 6574 1 230 . 1 1 21 21 VAL HG22 H 1 0.631 . . 1 . . . . . . . . 6574 1 231 . 1 1 21 21 VAL HG23 H 1 0.631 . . 1 . . . . . . . . 6574 1 232 . 1 1 21 21 VAL C C 13 173.737 . . 1 . . . . . . . . 6574 1 233 . 1 1 21 21 VAL CA C 13 58.691 . . 1 . . . . . . . . 6574 1 234 . 1 1 21 21 VAL CB C 13 35.946 . . 1 . . . . . . . . 6574 1 235 . 1 1 21 21 VAL CG1 C 13 21.966 . . 1 . . . . . . . . 6574 1 236 . 1 1 21 21 VAL CG2 C 13 18.994 . . 1 . . . . . . . . 6574 1 237 . 1 1 21 21 VAL N N 15 119.760 . . 1 . . . . . . . . 6574 1 238 . 1 1 22 22 THR H H 1 8.236 . . 1 . . . . . . . . 6574 1 239 . 1 1 22 22 THR HA H 1 5.187 . . 1 . . . . . . . . 6574 1 240 . 1 1 22 22 THR HB H 1 3.984 . . 1 . . . . . . . . 6574 1 241 . 1 1 22 22 THR HG21 H 1 1.024 . . 1 . . . . . . . . 6574 1 242 . 1 1 22 22 THR HG22 H 1 1.024 . . 1 . . . . . . . . 6574 1 243 . 1 1 22 22 THR HG23 H 1 1.024 . . 1 . . . . . . . . 6574 1 244 . 1 1 22 22 THR C C 13 175.067 . . 1 . . . . . . . . 6574 1 245 . 1 1 22 22 THR CA C 13 61.267 . . 1 . . . . . . . . 6574 1 246 . 1 1 22 22 THR CB C 13 70.178 . . 1 . . . . . . . . 6574 1 247 . 1 1 22 22 THR CG2 C 13 20.831 . . 1 . . . . . . . . 6574 1 248 . 1 1 22 22 THR N N 15 115.507 . . 1 . . . . . . . . 6574 1 249 . 1 1 23 23 ILE H H 1 8.919 . . 1 . . . . . . . . 6574 1 250 . 1 1 23 23 ILE HA H 1 4.152 . . 1 . . . . . . . . 6574 1 251 . 1 1 23 23 ILE HB H 1 2.496 . . 1 . . . . . . . . 6574 1 252 . 1 1 23 23 ILE HG12 H 1 1.756 . . 2 . . . . . . . . 6574 1 253 . 1 1 23 23 ILE HG13 H 1 1.162 . . 2 . . . . . . . . 6574 1 254 . 1 1 23 23 ILE HG21 H 1 0.895 . . 1 . . . . . . . . 6574 1 255 . 1 1 23 23 ILE HG22 H 1 0.895 . . 1 . . . . . . . . 6574 1 256 . 1 1 23 23 ILE HG23 H 1 0.895 . . 1 . . . . . . . . 6574 1 257 . 1 1 23 23 ILE HD11 H 1 0.440 . . 1 . . . . . . . . 6574 1 258 . 1 1 23 23 ILE HD12 H 1 0.440 . . 1 . . . . . . . . 6574 1 259 . 1 1 23 23 ILE HD13 H 1 0.440 . . 1 . . . . . . . . 6574 1 260 . 1 1 23 23 ILE C C 13 176.343 . . 1 . . . . . . . . 6574 1 261 . 1 1 23 23 ILE CA C 13 58.767 . . 1 . . . . . . . . 6574 1 262 . 1 1 23 23 ILE CB C 13 33.764 . . 1 . . . . . . . . 6574 1 263 . 1 1 23 23 ILE CG1 C 13 25.265 . . 1 . . . . . . . . 6574 1 264 . 1 1 23 23 ILE CG2 C 13 18.261 . . 1 . . . . . . . . 6574 1 265 . 1 1 23 23 ILE CD1 C 13 8.337 . . 1 . . . . . . . . 6574 1 266 . 1 1 23 23 ILE N N 15 126.458 . . 1 . . . . . . . . 6574 1 267 . 1 1 24 24 GLU H H 1 8.889 . . 1 . . . . . . . . 6574 1 268 . 1 1 24 24 GLU HA H 1 4.573 . . 1 . . . . . . . . 6574 1 269 . 1 1 24 24 GLU HB2 H 1 2.104 . . 2 . . . . . . . . 6574 1 270 . 1 1 24 24 GLU HB3 H 1 2.091 . . 2 . . . . . . . . 6574 1 271 . 1 1 24 24 GLU HG2 H 1 2.306 . . 2 . . . . . . . . 6574 1 272 . 1 1 24 24 GLU HG3 H 1 2.285 . . 2 . . . . . . . . 6574 1 273 . 1 1 24 24 GLU C C 13 174.938 . . 1 . . . . . . . . 6574 1 274 . 1 1 24 24 GLU CA C 13 56.842 . . 1 . . . . . . . . 6574 1 275 . 1 1 24 24 GLU CB C 13 32.142 . . 1 . . . . . . . . 6574 1 276 . 1 1 24 24 GLU CG C 13 35.489 . . 1 . . . . . . . . 6574 1 277 . 1 1 24 24 GLU N N 15 129.865 . . 1 . . . . . . . . 6574 1 278 . 1 1 25 25 ASP H H 1 8.062 . . 1 . . . . . . . . 6574 1 279 . 1 1 25 25 ASP HA H 1 4.861 . . 1 . . . . . . . . 6574 1 280 . 1 1 25 25 ASP HB2 H 1 2.634 . . 2 . . . . . . . . 6574 1 281 . 1 1 25 25 ASP HB3 H 1 2.525 . . 2 . . . . . . . . 6574 1 282 . 1 1 25 25 ASP C C 13 173.004 . . 1 . . . . . . . . 6574 1 283 . 1 1 25 25 ASP CA C 13 52.530 . . 1 . . . . . . . . 6574 1 284 . 1 1 25 25 ASP CB C 13 44.217 . . 1 . . . . . . . . 6574 1 285 . 1 1 25 25 ASP N N 15 117.588 . . 1 . . . . . . . . 6574 1 286 . 1 1 26 26 MET H H 1 9.023 . . 1 . . . . . . . . 6574 1 287 . 1 1 26 26 MET HA H 1 5.333 . . 1 . . . . . . . . 6574 1 288 . 1 1 26 26 MET HB2 H 1 2.104 . . 2 . . . . . . . . 6574 1 289 . 1 1 26 26 MET HB3 H 1 1.961 . . 2 . . . . . . . . 6574 1 290 . 1 1 26 26 MET HG2 H 1 2.673 . . 2 . . . . . . . . 6574 1 291 . 1 1 26 26 MET HG3 H 1 2.471 . . 2 . . . . . . . . 6574 1 292 . 1 1 26 26 MET HE1 H 1 2.079 . . 1 . . . . . . . . 6574 1 293 . 1 1 26 26 MET HE2 H 1 2.079 . . 1 . . . . . . . . 6574 1 294 . 1 1 26 26 MET HE3 H 1 2.079 . . 1 . . . . . . . . 6574 1 295 . 1 1 26 26 MET C C 13 176.701 . . 1 . . . . . . . . 6574 1 296 . 1 1 26 26 MET CA C 13 53.683 . . 1 . . . . . . . . 6574 1 297 . 1 1 26 26 MET CB C 13 34.068 . . 1 . . . . . . . . 6574 1 298 . 1 1 26 26 MET CG C 13 31.712 . . 1 . . . . . . . . 6574 1 299 . 1 1 26 26 MET CE C 13 16.296 . . 1 . . . . . . . . 6574 1 300 . 1 1 26 26 MET N N 15 118.726 . . 1 . . . . . . . . 6574 1 301 . 1 1 27 27 GLY H H 1 9.301 . . 1 . . . . . . . . 6574 1 302 . 1 1 27 27 GLY HA2 H 1 4.506 . . 2 . . . . . . . . 6574 1 303 . 1 1 27 27 GLY HA3 H 1 3.813 . . 2 . . . . . . . . 6574 1 304 . 1 1 27 27 GLY C C 13 174.704 . . 1 . . . . . . . . 6574 1 305 . 1 1 27 27 GLY CA C 13 44.303 . . 1 . . . . . . . . 6574 1 306 . 1 1 27 27 GLY N N 15 111.952 . . 1 . . . . . . . . 6574 1 307 . 1 1 28 28 LYS H H 1 8.787 . . 1 . . . . . . . . 6574 1 308 . 1 1 28 28 LYS HA H 1 4.192 . . 1 . . . . . . . . 6574 1 309 . 1 1 28 28 LYS HB2 H 1 1.783 . . 2 . . . . . . . . 6574 1 310 . 1 1 28 28 LYS HB3 H 1 1.788 . . 2 . . . . . . . . 6574 1 311 . 1 1 28 28 LYS HG2 H 1 1.470 . . 2 . . . . . . . . 6574 1 312 . 1 1 28 28 LYS HG3 H 1 1.482 . . 2 . . . . . . . . 6574 1 313 . 1 1 28 28 LYS HD2 H 1 1.739 . . 2 . . . . . . . . 6574 1 314 . 1 1 28 28 LYS HD3 H 1 1.727 . . 2 . . . . . . . . 6574 1 315 . 1 1 28 28 LYS HE2 H 1 3.054 . . 2 . . . . . . . . 6574 1 316 . 1 1 28 28 LYS HE3 H 1 3.042 . . 2 . . . . . . . . 6574 1 317 . 1 1 28 28 LYS C C 13 178.229 . . 1 . . . . . . . . 6574 1 318 . 1 1 28 28 LYS CA C 13 57.837 . . 1 . . . . . . . . 6574 1 319 . 1 1 28 28 LYS CB C 13 32.471 . . 1 . . . . . . . . 6574 1 320 . 1 1 28 28 LYS CG C 13 25.000 . . 1 . . . . . . . . 6574 1 321 . 1 1 28 28 LYS CD C 13 29.100 . . 1 . . . . . . . . 6574 1 322 . 1 1 28 28 LYS CE C 13 42.200 . . 1 . . . . . . . . 6574 1 323 . 1 1 28 28 LYS N N 15 123.107 . . 1 . . . . . . . . 6574 1 324 . 1 1 29 29 GLY H H 1 8.785 . . 1 . . . . . . . . 6574 1 325 . 1 1 29 29 GLY HA2 H 1 3.862 . . 2 . . . . . . . . 6574 1 326 . 1 1 29 29 GLY HA3 H 1 4.049 . . 2 . . . . . . . . 6574 1 327 . 1 1 29 29 GLY C C 13 175.238 . . 1 . . . . . . . . 6574 1 328 . 1 1 29 29 GLY CA C 13 45.738 . . 1 . . . . . . . . 6574 1 329 . 1 1 29 29 GLY N N 15 109.495 . . 1 . . . . . . . . 6574 1 330 . 1 1 30 30 GLY H H 1 8.126 . . 1 . . . . . . . . 6574 1 331 . 1 1 30 30 GLY HA2 H 1 3.735 . . 2 . . . . . . . . 6574 1 332 . 1 1 30 30 GLY HA3 H 1 4.352 . . 2 . . . . . . . . 6574 1 333 . 1 1 30 30 GLY C C 13 174.050 . . 1 . . . . . . . . 6574 1 334 . 1 1 30 30 GLY CA C 13 45.274 . . 1 . . . . . . . . 6574 1 335 . 1 1 30 30 GLY N N 15 107.298 . . 1 . . . . . . . . 6574 1 336 . 1 1 31 31 ASP H H 1 7.721 . . 1 . . . . . . . . 6574 1 337 . 1 1 31 31 ASP HA H 1 4.823 . . 1 . . . . . . . . 6574 1 338 . 1 1 31 31 ASP HB2 H 1 2.739 . . 2 . . . . . . . . 6574 1 339 . 1 1 31 31 ASP HB3 H 1 2.613 . . 2 . . . . . . . . 6574 1 340 . 1 1 31 31 ASP C C 13 175.941 . . 1 . . . . . . . . 6574 1 341 . 1 1 31 31 ASP CA C 13 54.056 . . 1 . . . . . . . . 6574 1 342 . 1 1 31 31 ASP CB C 13 40.023 . . 1 . . . . . . . . 6574 1 343 . 1 1 31 31 ASP N N 15 119.791 . . 1 . . . . . . . . 6574 1 344 . 1 1 32 32 GLY H H 1 9.102 . . 1 . . . . . . . . 6574 1 345 . 1 1 32 32 GLY HA2 H 1 4.779 . . 2 . . . . . . . . 6574 1 346 . 1 1 32 32 GLY HA3 H 1 3.473 . . 2 . . . . . . . . 6574 1 347 . 1 1 32 32 GLY C C 13 172.119 . . 1 . . . . . . . . 6574 1 348 . 1 1 32 32 GLY CA C 13 45.866 . . 1 . . . . . . . . 6574 1 349 . 1 1 32 32 GLY N N 15 110.639 . . 1 . . . . . . . . 6574 1 350 . 1 1 33 33 ILE H H 1 8.488 . . 1 . . . . . . . . 6574 1 351 . 1 1 33 33 ILE HA H 1 4.707 . . 1 . . . . . . . . 6574 1 352 . 1 1 33 33 ILE HB H 1 1.330 . . 1 . . . . . . . . 6574 1 353 . 1 1 33 33 ILE HG12 H 1 1.450 . . 2 . . . . . . . . 6574 1 354 . 1 1 33 33 ILE HG13 H 1 0.805 . . 2 . . . . . . . . 6574 1 355 . 1 1 33 33 ILE HG21 H 1 0.652 . . 1 . . . . . . . . 6574 1 356 . 1 1 33 33 ILE HG22 H 1 0.652 . . 1 . . . . . . . . 6574 1 357 . 1 1 33 33 ILE HG23 H 1 0.652 . . 1 . . . . . . . . 6574 1 358 . 1 1 33 33 ILE HD11 H 1 0.734 . . 1 . . . . . . . . 6574 1 359 . 1 1 33 33 ILE HD12 H 1 0.734 . . 1 . . . . . . . . 6574 1 360 . 1 1 33 33 ILE HD13 H 1 0.734 . . 1 . . . . . . . . 6574 1 361 . 1 1 33 33 ILE C C 13 174.432 . . 1 . . . . . . . . 6574 1 362 . 1 1 33 33 ILE CA C 13 61.178 . . 1 . . . . . . . . 6574 1 363 . 1 1 33 33 ILE CB C 13 40.704 . . 1 . . . . . . . . 6574 1 364 . 1 1 33 33 ILE CG1 C 13 27.784 . . 1 . . . . . . . . 6574 1 365 . 1 1 33 33 ILE CG2 C 13 17.545 . . 1 . . . . . . . . 6574 1 366 . 1 1 33 33 ILE CD1 C 13 13.968 . . 1 . . . . . . . . 6574 1 367 . 1 1 33 33 ILE N N 15 121.277 . . 1 . . . . . . . . 6574 1 368 . 1 1 34 34 ALA H H 1 9.146 . . 1 . . . . . . . . 6574 1 369 . 1 1 34 34 ALA HA H 1 4.981 . . 1 . . . . . . . . 6574 1 370 . 1 1 34 34 ALA HB1 H 1 1.190 . . 1 . . . . . . . . 6574 1 371 . 1 1 34 34 ALA HB2 H 1 1.190 . . 1 . . . . . . . . 6574 1 372 . 1 1 34 34 ALA HB3 H 1 1.190 . . 1 . . . . . . . . 6574 1 373 . 1 1 34 34 ALA C C 13 175.052 . . 1 . . . . . . . . 6574 1 374 . 1 1 34 34 ALA CA C 13 49.299 . . 1 . . . . . . . . 6574 1 375 . 1 1 34 34 ALA CB C 13 23.350 . . 1 . . . . . . . . 6574 1 376 . 1 1 34 34 ALA N N 15 130.371 . . 1 . . . . . . . . 6574 1 377 . 1 1 35 35 ARG H H 1 8.962 . . 1 . . . . . . . . 6574 1 378 . 1 1 35 35 ARG HA H 1 5.221 . . 1 . . . . . . . . 6574 1 379 . 1 1 35 35 ARG HB2 H 1 1.677 . . 2 . . . . . . . . 6574 1 380 . 1 1 35 35 ARG HB3 H 1 1.290 . . 2 . . . . . . . . 6574 1 381 . 1 1 35 35 ARG HG2 H 1 1.159 . . 2 . . . . . . . . 6574 1 382 . 1 1 35 35 ARG HG3 H 1 1.040 . . 2 . . . . . . . . 6574 1 383 . 1 1 35 35 ARG HD2 H 1 2.722 . . 2 . . . . . . . . 6574 1 384 . 1 1 35 35 ARG HD3 H 1 2.778 . . 2 . . . . . . . . 6574 1 385 . 1 1 35 35 ARG C C 13 176.377 . . 1 . . . . . . . . 6574 1 386 . 1 1 35 35 ARG CA C 13 54.952 . . 1 . . . . . . . . 6574 1 387 . 1 1 35 35 ARG CB C 13 36.421 . . 1 . . . . . . . . 6574 1 388 . 1 1 35 35 ARG CG C 13 25.798 . . 1 . . . . . . . . 6574 1 389 . 1 1 35 35 ARG CD C 13 42.210 . . 1 . . . . . . . . 6574 1 390 . 1 1 35 35 ARG N N 15 117.977 . . 1 . . . . . . . . 6574 1 391 . 1 1 36 36 ILE H H 1 8.631 . . 1 . . . . . . . . 6574 1 392 . 1 1 36 36 ILE HA H 1 4.172 . . 1 . . . . . . . . 6574 1 393 . 1 1 36 36 ILE HB H 1 1.336 . . 1 . . . . . . . . 6574 1 394 . 1 1 36 36 ILE HG12 H 1 1.170 . . 2 . . . . . . . . 6574 1 395 . 1 1 36 36 ILE HG13 H 1 0.847 . . 2 . . . . . . . . 6574 1 396 . 1 1 36 36 ILE HG21 H 1 0.595 . . 1 . . . . . . . . 6574 1 397 . 1 1 36 36 ILE HG22 H 1 0.595 . . 1 . . . . . . . . 6574 1 398 . 1 1 36 36 ILE HG23 H 1 0.595 . . 1 . . . . . . . . 6574 1 399 . 1 1 36 36 ILE HD11 H 1 0.193 . . 1 . . . . . . . . 6574 1 400 . 1 1 36 36 ILE HD12 H 1 0.193 . . 1 . . . . . . . . 6574 1 401 . 1 1 36 36 ILE HD13 H 1 0.193 . . 1 . . . . . . . . 6574 1 402 . 1 1 36 36 ILE C C 13 175.307 . . 1 . . . . . . . . 6574 1 403 . 1 1 36 36 ILE CA C 13 60.745 . . 1 . . . . . . . . 6574 1 404 . 1 1 36 36 ILE CB C 13 39.704 . . 1 . . . . . . . . 6574 1 405 . 1 1 36 36 ILE CG1 C 13 26.703 . . 1 . . . . . . . . 6574 1 406 . 1 1 36 36 ILE CG2 C 13 16.951 . . 1 . . . . . . . . 6574 1 407 . 1 1 36 36 ILE CD1 C 13 13.331 . . 1 . . . . . . . . 6574 1 408 . 1 1 36 36 ILE N N 15 122.941 . . 1 . . . . . . . . 6574 1 409 . 1 1 37 37 ASP H H 1 9.295 . . 1 . . . . . . . . 6574 1 410 . 1 1 37 37 ASP HA H 1 4.290 . . 1 . . . . . . . . 6574 1 411 . 1 1 37 37 ASP HB2 H 1 3.077 . . 2 . . . . . . . . 6574 1 412 . 1 1 37 37 ASP HB3 H 1 2.612 . . 2 . . . . . . . . 6574 1 413 . 1 1 37 37 ASP C C 13 176.003 . . 1 . . . . . . . . 6574 1 414 . 1 1 37 37 ASP CA C 13 55.092 . . 1 . . . . . . . . 6574 1 415 . 1 1 37 37 ASP CB C 13 39.465 . . 1 . . . . . . . . 6574 1 416 . 1 1 37 37 ASP N N 15 127.895 . . 1 . . . . . . . . 6574 1 417 . 1 1 38 38 GLY H H 1 8.387 . . 1 . . . . . . . . 6574 1 418 . 1 1 38 38 GLY HA2 H 1 4.232 . . 2 . . . . . . . . 6574 1 419 . 1 1 38 38 GLY HA3 H 1 3.520 . . 2 . . . . . . . . 6574 1 420 . 1 1 38 38 GLY C C 13 172.543 . . 1 . . . . . . . . 6574 1 421 . 1 1 38 38 GLY CA C 13 45.542 . . 1 . . . . . . . . 6574 1 422 . 1 1 38 38 GLY N N 15 102.860 . . 1 . . . . . . . . 6574 1 423 . 1 1 39 39 PHE H H 1 8.321 . . 1 . . . . . . . . 6574 1 424 . 1 1 39 39 PHE HA H 1 4.602 . . 1 . . . . . . . . 6574 1 425 . 1 1 39 39 PHE HB2 H 1 3.065 . . 2 . . . . . . . . 6574 1 426 . 1 1 39 39 PHE HB3 H 1 2.898 . . 2 . . . . . . . . 6574 1 427 . 1 1 39 39 PHE HD1 H 1 7.024 . . 2 . . . . . . . . 6574 1 428 . 1 1 39 39 PHE HD2 H 1 7.025 . . 2 . . . . . . . . 6574 1 429 . 1 1 39 39 PHE HE1 H 1 7.024 . . 2 . . . . . . . . 6574 1 430 . 1 1 39 39 PHE HE2 H 1 7.026 . . 2 . . . . . . . . 6574 1 431 . 1 1 39 39 PHE HZ H 1 7.155 . . 1 . . . . . . . . 6574 1 432 . 1 1 39 39 PHE C C 13 175.019 . . 1 . . . . . . . . 6574 1 433 . 1 1 39 39 PHE CA C 13 57.649 . . 1 . . . . . . . . 6574 1 434 . 1 1 39 39 PHE CB C 13 41.688 . . 1 . . . . . . . . 6574 1 435 . 1 1 39 39 PHE CD1 C 13 132.114 . . 1 . . . . . . . . 6574 1 436 . 1 1 39 39 PHE CD2 C 13 132.114 . . 1 . . . . . . . . 6574 1 437 . 1 1 39 39 PHE CE1 C 13 131.648 . . 1 . . . . . . . . 6574 1 438 . 1 1 39 39 PHE CE2 C 13 131.648 . . 1 . . . . . . . . 6574 1 439 . 1 1 39 39 PHE CZ C 13 131.648 . . 1 . . . . . . . . 6574 1 440 . 1 1 39 39 PHE N N 15 125.608 . . 1 . . . . . . . . 6574 1 441 . 1 1 40 40 VAL H H 1 7.667 . . 1 . . . . . . . . 6574 1 442 . 1 1 40 40 VAL HA H 1 3.829 . . 1 . . . . . . . . 6574 1 443 . 1 1 40 40 VAL HB H 1 1.661 . . 1 . . . . . . . . 6574 1 444 . 1 1 40 40 VAL HG11 H 1 0.233 . . 1 . . . . . . . . 6574 1 445 . 1 1 40 40 VAL HG12 H 1 0.233 . . 1 . . . . . . . . 6574 1 446 . 1 1 40 40 VAL HG13 H 1 0.233 . . 1 . . . . . . . . 6574 1 447 . 1 1 40 40 VAL HG21 H 1 0.844 . . 1 . . . . . . . . 6574 1 448 . 1 1 40 40 VAL HG22 H 1 0.844 . . 1 . . . . . . . . 6574 1 449 . 1 1 40 40 VAL HG23 H 1 0.844 . . 1 . . . . . . . . 6574 1 450 . 1 1 40 40 VAL C C 13 173.443 . . 1 . . . . . . . . 6574 1 451 . 1 1 40 40 VAL CA C 13 64.218 . . 1 . . . . . . . . 6574 1 452 . 1 1 40 40 VAL CB C 13 32.575 . . 1 . . . . . . . . 6574 1 453 . 1 1 40 40 VAL CG1 C 13 21.335 . . 1 . . . . . . . . 6574 1 454 . 1 1 40 40 VAL CG2 C 13 22.900 . . 1 . . . . . . . . 6574 1 455 . 1 1 40 40 VAL N N 15 128.011 . . 1 . . . . . . . . 6574 1 456 . 1 1 41 41 VAL H H 1 8.785 . . 1 . . . . . . . . 6574 1 457 . 1 1 41 41 VAL HA H 1 4.458 . . 1 . . . . . . . . 6574 1 458 . 1 1 41 41 VAL HB H 1 1.641 . . 1 . . . . . . . . 6574 1 459 . 1 1 41 41 VAL HG11 H 1 0.610 . . 1 . . . . . . . . 6574 1 460 . 1 1 41 41 VAL HG12 H 1 0.610 . . 1 . . . . . . . . 6574 1 461 . 1 1 41 41 VAL HG13 H 1 0.610 . . 1 . . . . . . . . 6574 1 462 . 1 1 41 41 VAL HG21 H 1 0.735 . . 1 . . . . . . . . 6574 1 463 . 1 1 41 41 VAL HG22 H 1 0.735 . . 1 . . . . . . . . 6574 1 464 . 1 1 41 41 VAL HG23 H 1 0.735 . . 1 . . . . . . . . 6574 1 465 . 1 1 41 41 VAL C C 13 174.183 . . 1 . . . . . . . . 6574 1 466 . 1 1 41 41 VAL CA C 13 60.020 . . 1 . . . . . . . . 6574 1 467 . 1 1 41 41 VAL CB C 13 34.614 . . 1 . . . . . . . . 6574 1 468 . 1 1 41 41 VAL CG1 C 13 22.152 . . 1 . . . . . . . . 6574 1 469 . 1 1 41 41 VAL CG2 C 13 20.715 . . 1 . . . . . . . . 6574 1 470 . 1 1 41 41 VAL N N 15 126.399 . . 1 . . . . . . . . 6574 1 471 . 1 1 42 42 PHE H H 1 8.742 . . 1 . . . . . . . . 6574 1 472 . 1 1 42 42 PHE HA H 1 5.368 . . 1 . . . . . . . . 6574 1 473 . 1 1 42 42 PHE HB2 H 1 3.030 . . 2 . . . . . . . . 6574 1 474 . 1 1 42 42 PHE HB3 H 1 2.818 . . 2 . . . . . . . . 6574 1 475 . 1 1 42 42 PHE HD1 H 1 6.809 . . 1 . . . . . . . . 6574 1 476 . 1 1 42 42 PHE HD2 H 1 6.809 . . 1 . . . . . . . . 6574 1 477 . 1 1 42 42 PHE HE1 H 1 6.630 . . 1 . . . . . . . . 6574 1 478 . 1 1 42 42 PHE HE2 H 1 6.630 . . 1 . . . . . . . . 6574 1 479 . 1 1 42 42 PHE C C 13 176.465 . . 1 . . . . . . . . 6574 1 480 . 1 1 42 42 PHE CA C 13 57.035 . . 1 . . . . . . . . 6574 1 481 . 1 1 42 42 PHE CB C 13 41.400 . . 1 . . . . . . . . 6574 1 482 . 1 1 42 42 PHE CD1 C 13 131.384 . . 2 . . . . . . . . 6574 1 483 . 1 1 42 42 PHE CD2 C 13 131.360 . . 2 . . . . . . . . 6574 1 484 . 1 1 42 42 PHE CE1 C 13 131.267 . . 1 . . . . . . . . 6574 1 485 . 1 1 42 42 PHE CE2 C 13 131.267 . . 1 . . . . . . . . 6574 1 486 . 1 1 42 42 PHE N N 15 124.982 . . 1 . . . . . . . . 6574 1 487 . 1 1 43 43 VAL H H 1 9.228 . . 1 . . . . . . . . 6574 1 488 . 1 1 43 43 VAL HA H 1 5.135 . . 1 . . . . . . . . 6574 1 489 . 1 1 43 43 VAL HB H 1 1.892 . . 1 . . . . . . . . 6574 1 490 . 1 1 43 43 VAL HG11 H 1 0.812 . . 1 . . . . . . . . 6574 1 491 . 1 1 43 43 VAL HG12 H 1 0.812 . . 1 . . . . . . . . 6574 1 492 . 1 1 43 43 VAL HG13 H 1 0.812 . . 1 . . . . . . . . 6574 1 493 . 1 1 43 43 VAL HG21 H 1 0.709 . . 1 . . . . . . . . 6574 1 494 . 1 1 43 43 VAL HG22 H 1 0.709 . . 1 . . . . . . . . 6574 1 495 . 1 1 43 43 VAL HG23 H 1 0.709 . . 1 . . . . . . . . 6574 1 496 . 1 1 43 43 VAL C C 13 173.877 . . 1 . . . . . . . . 6574 1 497 . 1 1 43 43 VAL CA C 13 58.214 . . 1 . . . . . . . . 6574 1 498 . 1 1 43 43 VAL CB C 13 34.359 . . 1 . . . . . . . . 6574 1 499 . 1 1 43 43 VAL CG1 C 13 21.335 . . 1 . . . . . . . . 6574 1 500 . 1 1 43 43 VAL CG2 C 13 20.584 . . 1 . . . . . . . . 6574 1 501 . 1 1 43 43 VAL N N 15 121.344 . . 1 . . . . . . . . 6574 1 502 . 1 1 44 44 PRO HA H 1 4.698 . . 1 . . . . . . . . 6574 1 503 . 1 1 44 44 PRO HB2 H 1 2.441 . . 2 . . . . . . . . 6574 1 504 . 1 1 44 44 PRO HB3 H 1 1.931 . . 2 . . . . . . . . 6574 1 505 . 1 1 44 44 PRO HG2 H 1 2.266 . . 2 . . . . . . . . 6574 1 506 . 1 1 44 44 PRO HG3 H 1 2.221 . . 2 . . . . . . . . 6574 1 507 . 1 1 44 44 PRO HD2 H 1 4.256 . . 2 . . . . . . . . 6574 1 508 . 1 1 44 44 PRO HD3 H 1 4.097 . . 2 . . . . . . . . 6574 1 509 . 1 1 44 44 PRO C C 13 177.058 . . 1 . . . . . . . . 6574 1 510 . 1 1 44 44 PRO CA C 13 63.570 . . 1 . . . . . . . . 6574 1 511 . 1 1 44 44 PRO CB C 13 32.721 . . 1 . . . . . . . . 6574 1 512 . 1 1 44 44 PRO CG C 13 27.689 . . 1 . . . . . . . . 6574 1 513 . 1 1 44 44 PRO CD C 13 51.987 . . 1 . . . . . . . . 6574 1 514 . 1 1 45 45 ASN H H 1 8.977 . . 1 . . . . . . . . 6574 1 515 . 1 1 45 45 ASN HA H 1 4.388 . . 1 . . . . . . . . 6574 1 516 . 1 1 45 45 ASN HB2 H 1 3.080 . . 2 . . . . . . . . 6574 1 517 . 1 1 45 45 ASN HB3 H 1 2.921 . . 2 . . . . . . . . 6574 1 518 . 1 1 45 45 ASN HD21 H 1 6.991 . . 1 . . . . . . . . 6574 1 519 . 1 1 45 45 ASN HD22 H 1 7.665 . . 1 . . . . . . . . 6574 1 520 . 1 1 45 45 ASN C C 13 173.497 . . 1 . . . . . . . . 6574 1 521 . 1 1 45 45 ASN CA C 13 54.872 . . 1 . . . . . . . . 6574 1 522 . 1 1 45 45 ASN CB C 13 37.514 . . 1 . . . . . . . . 6574 1 523 . 1 1 45 45 ASN CG C 13 178.510 . . 1 . . . . . . . . 6574 1 524 . 1 1 45 45 ASN N N 15 116.207 . . 1 . . . . . . . . 6574 1 525 . 1 1 45 45 ASN ND2 N 15 113.472 . . 1 . . . . . . . . 6574 1 526 . 1 1 46 46 ALA H H 1 7.474 . . 1 . . . . . . . . 6574 1 527 . 1 1 46 46 ALA HA H 1 4.653 . . 1 . . . . . . . . 6574 1 528 . 1 1 46 46 ALA HB1 H 1 1.219 . . 1 . . . . . . . . 6574 1 529 . 1 1 46 46 ALA HB2 H 1 1.219 . . 1 . . . . . . . . 6574 1 530 . 1 1 46 46 ALA HB3 H 1 1.219 . . 1 . . . . . . . . 6574 1 531 . 1 1 46 46 ALA C C 13 175.555 . . 1 . . . . . . . . 6574 1 532 . 1 1 46 46 ALA CA C 13 51.079 . . 1 . . . . . . . . 6574 1 533 . 1 1 46 46 ALA CB C 13 21.820 . . 1 . . . . . . . . 6574 1 534 . 1 1 46 46 ALA N N 15 120.738 . . 1 . . . . . . . . 6574 1 535 . 1 1 47 47 GLU H H 1 8.523 . . 1 . . . . . . . . 6574 1 536 . 1 1 47 47 GLU HA H 1 4.500 . . 1 . . . . . . . . 6574 1 537 . 1 1 47 47 GLU HB2 H 1 2.040 . . 2 . . . . . . . . 6574 1 538 . 1 1 47 47 GLU HB3 H 1 1.922 . . 2 . . . . . . . . 6574 1 539 . 1 1 47 47 GLU HG2 H 1 2.341 . . 2 . . . . . . . . 6574 1 540 . 1 1 47 47 GLU HG3 H 1 2.343 . . 2 . . . . . . . . 6574 1 541 . 1 1 47 47 GLU C C 13 177.097 . . 1 . . . . . . . . 6574 1 542 . 1 1 47 47 GLU CA C 13 55.065 . . 1 . . . . . . . . 6574 1 543 . 1 1 47 47 GLU CB C 13 31.431 . . 1 . . . . . . . . 6574 1 544 . 1 1 47 47 GLU CG C 13 35.830 . . 1 . . . . . . . . 6574 1 545 . 1 1 47 47 GLU N N 15 119.354 . . 1 . . . . . . . . 6574 1 546 . 1 1 48 48 LYS H H 1 8.737 . . 1 . . . . . . . . 6574 1 547 . 1 1 48 48 LYS HA H 1 3.675 . . 1 . . . . . . . . 6574 1 548 . 1 1 48 48 LYS HB2 H 1 1.817 . . 2 . . . . . . . . 6574 1 549 . 1 1 48 48 LYS HB3 H 1 1.697 . . 2 . . . . . . . . 6574 1 550 . 1 1 48 48 LYS HG2 H 1 1.335 . . 2 . . . . . . . . 6574 1 551 . 1 1 48 48 LYS HG3 H 1 1.169 . . 2 . . . . . . . . 6574 1 552 . 1 1 48 48 LYS HD2 H 1 1.689 . . 1 . . . . . . . . 6574 1 553 . 1 1 48 48 LYS HD3 H 1 1.689 . . 1 . . . . . . . . 6574 1 554 . 1 1 48 48 LYS HE2 H 1 3.035 . . 2 . . . . . . . . 6574 1 555 . 1 1 48 48 LYS HE3 H 1 2.979 . . 2 . . . . . . . . 6574 1 556 . 1 1 48 48 LYS C C 13 176.867 . . 1 . . . . . . . . 6574 1 557 . 1 1 48 48 LYS CA C 13 59.169 . . 1 . . . . . . . . 6574 1 558 . 1 1 48 48 LYS CB C 13 32.644 . . 1 . . . . . . . . 6574 1 559 . 1 1 48 48 LYS CG C 13 25.499 . . 1 . . . . . . . . 6574 1 560 . 1 1 48 48 LYS CD C 13 29.935 . . 1 . . . . . . . . 6574 1 561 . 1 1 48 48 LYS CE C 13 42.065 . . 1 . . . . . . . . 6574 1 562 . 1 1 48 48 LYS N N 15 126.485 . . 1 . . . . . . . . 6574 1 563 . 1 1 49 49 GLY H H 1 9.106 . . 1 . . . . . . . . 6574 1 564 . 1 1 49 49 GLY HA2 H 1 4.405 . . 2 . . . . . . . . 6574 1 565 . 1 1 49 49 GLY HA3 H 1 3.712 . . 2 . . . . . . . . 6574 1 566 . 1 1 49 49 GLY C C 13 173.990 . . 1 . . . . . . . . 6574 1 567 . 1 1 49 49 GLY CA C 13 44.988 . . 1 . . . . . . . . 6574 1 568 . 1 1 49 49 GLY N N 15 115.542 . . 1 . . . . . . . . 6574 1 569 . 1 1 50 50 SER H H 1 7.803 . . 1 . . . . . . . . 6574 1 570 . 1 1 50 50 SER HA H 1 4.444 . . 1 . . . . . . . . 6574 1 571 . 1 1 50 50 SER HB2 H 1 3.915 . . 2 . . . . . . . . 6574 1 572 . 1 1 50 50 SER HB3 H 1 3.919 . . 2 . . . . . . . . 6574 1 573 . 1 1 50 50 SER C C 13 171.751 . . 1 . . . . . . . . 6574 1 574 . 1 1 50 50 SER CA C 13 59.115 . . 1 . . . . . . . . 6574 1 575 . 1 1 50 50 SER CB C 13 64.803 . . 1 . . . . . . . . 6574 1 576 . 1 1 50 50 SER N N 15 115.846 . . 1 . . . . . . . . 6574 1 577 . 1 1 51 51 VAL H H 1 8.277 . . 1 . . . . . . . . 6574 1 578 . 1 1 51 51 VAL HA H 1 5.079 . . 1 . . . . . . . . 6574 1 579 . 1 1 51 51 VAL HB H 1 1.947 . . 1 . . . . . . . . 6574 1 580 . 1 1 51 51 VAL HG11 H 1 0.795 . . 1 . . . . . . . . 6574 1 581 . 1 1 51 51 VAL HG12 H 1 0.795 . . 1 . . . . . . . . 6574 1 582 . 1 1 51 51 VAL HG13 H 1 0.795 . . 1 . . . . . . . . 6574 1 583 . 1 1 51 51 VAL HG21 H 1 1.022 . . 1 . . . . . . . . 6574 1 584 . 1 1 51 51 VAL HG22 H 1 1.022 . . 1 . . . . . . . . 6574 1 585 . 1 1 51 51 VAL HG23 H 1 1.022 . . 1 . . . . . . . . 6574 1 586 . 1 1 51 51 VAL C C 13 177.140 . . 1 . . . . . . . . 6574 1 587 . 1 1 51 51 VAL CA C 13 61.957 . . 1 . . . . . . . . 6574 1 588 . 1 1 51 51 VAL CB C 13 32.156 . . 1 . . . . . . . . 6574 1 589 . 1 1 51 51 VAL CG1 C 13 20.528 . . 1 . . . . . . . . 6574 1 590 . 1 1 51 51 VAL CG2 C 13 20.502 . . 1 . . . . . . . . 6574 1 591 . 1 1 51 51 VAL N N 15 124.225 . . 1 . . . . . . . . 6574 1 592 . 1 1 52 52 ILE H H 1 8.930 . . 1 . . . . . . . . 6574 1 593 . 1 1 52 52 ILE HA H 1 4.877 . . 1 . . . . . . . . 6574 1 594 . 1 1 52 52 ILE HB H 1 1.867 . . 1 . . . . . . . . 6574 1 595 . 1 1 52 52 ILE HG12 H 1 1.330 . . 2 . . . . . . . . 6574 1 596 . 1 1 52 52 ILE HG13 H 1 0.940 . . 2 . . . . . . . . 6574 1 597 . 1 1 52 52 ILE HG21 H 1 0.961 . . 1 . . . . . . . . 6574 1 598 . 1 1 52 52 ILE HG22 H 1 0.961 . . 1 . . . . . . . . 6574 1 599 . 1 1 52 52 ILE HG23 H 1 0.961 . . 1 . . . . . . . . 6574 1 600 . 1 1 52 52 ILE HD11 H 1 0.720 . . 1 . . . . . . . . 6574 1 601 . 1 1 52 52 ILE HD12 H 1 0.720 . . 1 . . . . . . . . 6574 1 602 . 1 1 52 52 ILE HD13 H 1 0.720 . . 1 . . . . . . . . 6574 1 603 . 1 1 52 52 ILE C C 13 173.482 . . 1 . . . . . . . . 6574 1 604 . 1 1 52 52 ILE CA C 13 59.301 . . 1 . . . . . . . . 6574 1 605 . 1 1 52 52 ILE CB C 13 43.813 . . 1 . . . . . . . . 6574 1 606 . 1 1 52 52 ILE CG1 C 13 25.146 . . 1 . . . . . . . . 6574 1 607 . 1 1 52 52 ILE CG2 C 13 18.680 . . 1 . . . . . . . . 6574 1 608 . 1 1 52 52 ILE CD1 C 13 15.100 . . 1 . . . . . . . . 6574 1 609 . 1 1 52 52 ILE N N 15 120.847 . . 1 . . . . . . . . 6574 1 610 . 1 1 53 53 ASN H H 1 8.618 . . 1 . . . . . . . . 6574 1 611 . 1 1 53 53 ASN HA H 1 5.635 . . 1 . . . . . . . . 6574 1 612 . 1 1 53 53 ASN HB2 H 1 2.733 . . 2 . . . . . . . . 6574 1 613 . 1 1 53 53 ASN HB3 H 1 2.655 . . 2 . . . . . . . . 6574 1 614 . 1 1 53 53 ASN HD21 H 1 7.390 . . 1 . . . . . . . . 6574 1 615 . 1 1 53 53 ASN HD22 H 1 6.890 . . 1 . . . . . . . . 6574 1 616 . 1 1 53 53 ASN C C 13 175.564 . . 1 . . . . . . . . 6574 1 617 . 1 1 53 53 ASN CA C 13 52.567 . . 1 . . . . . . . . 6574 1 618 . 1 1 53 53 ASN CB C 13 40.095 . . 1 . . . . . . . . 6574 1 619 . 1 1 53 53 ASN CG C 13 176.148 . . 1 . . . . . . . . 6574 1 620 . 1 1 53 53 ASN N N 15 120.636 . . 1 . . . . . . . . 6574 1 621 . 1 1 53 53 ASN ND2 N 15 111.497 . . 1 . . . . . . . . 6574 1 622 . 1 1 54 54 VAL H H 1 9.332 . . 1 . . . . . . . . 6574 1 623 . 1 1 54 54 VAL HA H 1 5.323 . . 1 . . . . . . . . 6574 1 624 . 1 1 54 54 VAL HB H 1 1.946 . . 1 . . . . . . . . 6574 1 625 . 1 1 54 54 VAL HG11 H 1 0.747 . . 1 . . . . . . . . 6574 1 626 . 1 1 54 54 VAL HG12 H 1 0.747 . . 1 . . . . . . . . 6574 1 627 . 1 1 54 54 VAL HG13 H 1 0.747 . . 1 . . . . . . . . 6574 1 628 . 1 1 54 54 VAL HG21 H 1 0.761 . . 1 . . . . . . . . 6574 1 629 . 1 1 54 54 VAL HG22 H 1 0.761 . . 1 . . . . . . . . 6574 1 630 . 1 1 54 54 VAL HG23 H 1 0.761 . . 1 . . . . . . . . 6574 1 631 . 1 1 54 54 VAL C C 13 173.140 . . 1 . . . . . . . . 6574 1 632 . 1 1 54 54 VAL CA C 13 58.100 . . 1 . . . . . . . . 6574 1 633 . 1 1 54 54 VAL CB C 13 35.444 . . 1 . . . . . . . . 6574 1 634 . 1 1 54 54 VAL CG1 C 13 22.454 . . 1 . . . . . . . . 6574 1 635 . 1 1 54 54 VAL CG2 C 13 18.056 . . 1 . . . . . . . . 6574 1 636 . 1 1 54 54 VAL N N 15 116.232 . . 1 . . . . . . . . 6574 1 637 . 1 1 55 55 LYS H H 1 9.124 . . 1 . . . . . . . . 6574 1 638 . 1 1 55 55 LYS HA H 1 5.168 . . 1 . . . . . . . . 6574 1 639 . 1 1 55 55 LYS HB2 H 1 1.835 . . 2 . . . . . . . . 6574 1 640 . 1 1 55 55 LYS HB3 H 1 1.542 . . 2 . . . . . . . . 6574 1 641 . 1 1 55 55 LYS HG2 H 1 1.141 . . 1 . . . . . . . . 6574 1 642 . 1 1 55 55 LYS HG3 H 1 1.141 . . 1 . . . . . . . . 6574 1 643 . 1 1 55 55 LYS HD2 H 1 1.682 . . 1 . . . . . . . . 6574 1 644 . 1 1 55 55 LYS HD3 H 1 1.682 . . 1 . . . . . . . . 6574 1 645 . 1 1 55 55 LYS HE2 H 1 2.931 . . 1 . . . . . . . . 6574 1 646 . 1 1 55 55 LYS HE3 H 1 2.931 . . 1 . . . . . . . . 6574 1 647 . 1 1 55 55 LYS C C 13 176.918 . . 1 . . . . . . . . 6574 1 648 . 1 1 55 55 LYS CA C 13 54.174 . . 1 . . . . . . . . 6574 1 649 . 1 1 55 55 LYS CB C 13 35.386 . . 1 . . . . . . . . 6574 1 650 . 1 1 55 55 LYS CG C 13 24.899 . . 1 . . . . . . . . 6574 1 651 . 1 1 55 55 LYS CD C 13 29.783 . . 1 . . . . . . . . 6574 1 652 . 1 1 55 55 LYS CE C 13 42.048 . . 1 . . . . . . . . 6574 1 653 . 1 1 55 55 LYS N N 15 121.788 . . 1 . . . . . . . . 6574 1 654 . 1 1 56 56 VAL H H 1 8.539 . . 1 . . . . . . . . 6574 1 655 . 1 1 56 56 VAL HA H 1 4.268 . . 1 . . . . . . . . 6574 1 656 . 1 1 56 56 VAL HB H 1 2.533 . . 1 . . . . . . . . 6574 1 657 . 1 1 56 56 VAL HG11 H 1 0.913 . . 1 . . . . . . . . 6574 1 658 . 1 1 56 56 VAL HG12 H 1 0.913 . . 1 . . . . . . . . 6574 1 659 . 1 1 56 56 VAL HG13 H 1 0.913 . . 1 . . . . . . . . 6574 1 660 . 1 1 56 56 VAL HG21 H 1 1.000 . . 1 . . . . . . . . 6574 1 661 . 1 1 56 56 VAL HG22 H 1 1.000 . . 1 . . . . . . . . 6574 1 662 . 1 1 56 56 VAL HG23 H 1 1.000 . . 1 . . . . . . . . 6574 1 663 . 1 1 56 56 VAL C C 13 176.898 . . 1 . . . . . . . . 6574 1 664 . 1 1 56 56 VAL CA C 13 63.937 . . 1 . . . . . . . . 6574 1 665 . 1 1 56 56 VAL CB C 13 31.744 . . 1 . . . . . . . . 6574 1 666 . 1 1 56 56 VAL CG1 C 13 22.560 . . 1 . . . . . . . . 6574 1 667 . 1 1 56 56 VAL CG2 C 13 23.287 . . 1 . . . . . . . . 6574 1 668 . 1 1 56 56 VAL N N 15 127.616 . . 1 . . . . . . . . 6574 1 669 . 1 1 57 57 THR H H 1 9.645 . . 1 . . . . . . . . 6574 1 670 . 1 1 57 57 THR HA H 1 4.612 . . 1 . . . . . . . . 6574 1 671 . 1 1 57 57 THR HB H 1 4.343 . . 1 . . . . . . . . 6574 1 672 . 1 1 57 57 THR HG21 H 1 1.271 . . 1 . . . . . . . . 6574 1 673 . 1 1 57 57 THR HG22 H 1 1.271 . . 1 . . . . . . . . 6574 1 674 . 1 1 57 57 THR HG23 H 1 1.271 . . 1 . . . . . . . . 6574 1 675 . 1 1 57 57 THR C C 13 175.626 . . 1 . . . . . . . . 6574 1 676 . 1 1 57 57 THR CA C 13 62.257 . . 1 . . . . . . . . 6574 1 677 . 1 1 57 57 THR CB C 13 69.276 . . 1 . . . . . . . . 6574 1 678 . 1 1 57 57 THR CG2 C 13 22.416 . . 1 . . . . . . . . 6574 1 679 . 1 1 57 57 THR N N 15 121.895 . . 1 . . . . . . . . 6574 1 680 . 1 1 58 58 ALA H H 1 7.784 . . 1 . . . . . . . . 6574 1 681 . 1 1 58 58 ALA HA H 1 4.718 . . 1 . . . . . . . . 6574 1 682 . 1 1 58 58 ALA HB1 H 1 1.595 . . 1 . . . . . . . . 6574 1 683 . 1 1 58 58 ALA HB2 H 1 1.595 . . 1 . . . . . . . . 6574 1 684 . 1 1 58 58 ALA HB3 H 1 1.595 . . 1 . . . . . . . . 6574 1 685 . 1 1 58 58 ALA C C 13 175.097 . . 1 . . . . . . . . 6574 1 686 . 1 1 58 58 ALA CA C 13 52.899 . . 1 . . . . . . . . 6574 1 687 . 1 1 58 58 ALA CB C 13 22.224 . . 1 . . . . . . . . 6574 1 688 . 1 1 58 58 ALA N N 15 123.587 . . 1 . . . . . . . . 6574 1 689 . 1 1 59 59 VAL H H 1 9.022 . . 1 . . . . . . . . 6574 1 690 . 1 1 59 59 VAL HA H 1 4.348 . . 1 . . . . . . . . 6574 1 691 . 1 1 59 59 VAL HB H 1 2.067 . . 1 . . . . . . . . 6574 1 692 . 1 1 59 59 VAL HG11 H 1 1.032 . . 1 . . . . . . . . 6574 1 693 . 1 1 59 59 VAL HG12 H 1 1.032 . . 1 . . . . . . . . 6574 1 694 . 1 1 59 59 VAL HG13 H 1 1.032 . . 1 . . . . . . . . 6574 1 695 . 1 1 59 59 VAL HG21 H 1 0.817 . . 1 . . . . . . . . 6574 1 696 . 1 1 59 59 VAL HG22 H 1 0.817 . . 1 . . . . . . . . 6574 1 697 . 1 1 59 59 VAL HG23 H 1 0.817 . . 1 . . . . . . . . 6574 1 698 . 1 1 59 59 VAL C C 13 175.164 . . 1 . . . . . . . . 6574 1 699 . 1 1 59 59 VAL CA C 13 63.258 . . 1 . . . . . . . . 6574 1 700 . 1 1 59 59 VAL CB C 13 33.682 . . 1 . . . . . . . . 6574 1 701 . 1 1 59 59 VAL CG1 C 13 22.233 . . 1 . . . . . . . . 6574 1 702 . 1 1 59 59 VAL CG2 C 13 22.234 . . 1 . . . . . . . . 6574 1 703 . 1 1 59 59 VAL N N 15 122.459 . . 1 . . . . . . . . 6574 1 704 . 1 1 60 60 LYS H H 1 8.797 . . 1 . . . . . . . . 6574 1 705 . 1 1 60 60 LYS HA H 1 4.763 . . 1 . . . . . . . . 6574 1 706 . 1 1 60 60 LYS HB2 H 1 1.885 . . 2 . . . . . . . . 6574 1 707 . 1 1 60 60 LYS HB3 H 1 1.240 . . 2 . . . . . . . . 6574 1 708 . 1 1 60 60 LYS HG2 H 1 1.467 . . 2 . . . . . . . . 6574 1 709 . 1 1 60 60 LYS HG3 H 1 1.273 . . 2 . . . . . . . . 6574 1 710 . 1 1 60 60 LYS HD2 H 1 1.717 . . 2 . . . . . . . . 6574 1 711 . 1 1 60 60 LYS HD3 H 1 1.703 . . 2 . . . . . . . . 6574 1 712 . 1 1 60 60 LYS HE2 H 1 3.097 . . 2 . . . . . . . . 6574 1 713 . 1 1 60 60 LYS HE3 H 1 2.944 . . 2 . . . . . . . . 6574 1 714 . 1 1 60 60 LYS C C 13 175.240 . . 1 . . . . . . . . 6574 1 715 . 1 1 60 60 LYS CA C 13 53.822 . . 1 . . . . . . . . 6574 1 716 . 1 1 60 60 LYS CB C 13 32.100 . . 1 . . . . . . . . 6574 1 717 . 1 1 60 60 LYS CG C 13 25.399 . . 1 . . . . . . . . 6574 1 718 . 1 1 60 60 LYS CD C 13 28.475 . . 1 . . . . . . . . 6574 1 719 . 1 1 60 60 LYS CE C 13 42.548 . . 1 . . . . . . . . 6574 1 720 . 1 1 60 60 LYS N N 15 128.252 . . 1 . . . . . . . . 6574 1 721 . 1 1 61 61 GLU H H 1 8.281 . . 1 . . . . . . . . 6574 1 722 . 1 1 61 61 GLU HA H 1 4.021 . . 1 . . . . . . . . 6574 1 723 . 1 1 61 61 GLU HB2 H 1 2.161 . . 2 . . . . . . . . 6574 1 724 . 1 1 61 61 GLU HB3 H 1 2.054 . . 2 . . . . . . . . 6574 1 725 . 1 1 61 61 GLU HG2 H 1 2.388 . . 2 . . . . . . . . 6574 1 726 . 1 1 61 61 GLU HG3 H 1 2.358 . . 2 . . . . . . . . 6574 1 727 . 1 1 61 61 GLU C C 13 177.865 . . 1 . . . . . . . . 6574 1 728 . 1 1 61 61 GLU CA C 13 60.222 . . 1 . . . . . . . . 6574 1 729 . 1 1 61 61 GLU CB C 13 29.466 . . 1 . . . . . . . . 6574 1 730 . 1 1 61 61 GLU CG C 13 36.530 . . 1 . . . . . . . . 6574 1 731 . 1 1 61 61 GLU N N 15 119.192 . . 1 . . . . . . . . 6574 1 732 . 1 1 62 62 LYS H H 1 8.023 . . 1 . . . . . . . . 6574 1 733 . 1 1 62 62 LYS HA H 1 4.360 . . 1 . . . . . . . . 6574 1 734 . 1 1 62 62 LYS HB2 H 1 2.020 . . 2 . . . . . . . . 6574 1 735 . 1 1 62 62 LYS HB3 H 1 1.607 . . 2 . . . . . . . . 6574 1 736 . 1 1 62 62 LYS HG2 H 1 1.349 . . 2 . . . . . . . . 6574 1 737 . 1 1 62 62 LYS HG3 H 1 1.293 . . 2 . . . . . . . . 6574 1 738 . 1 1 62 62 LYS HD2 H 1 1.613 . . 1 . . . . . . . . 6574 1 739 . 1 1 62 62 LYS HD3 H 1 1.613 . . 1 . . . . . . . . 6574 1 740 . 1 1 62 62 LYS HE2 H 1 2.965 . . 2 . . . . . . . . 6574 1 741 . 1 1 62 62 LYS HE3 H 1 2.938 . . 2 . . . . . . . . 6574 1 742 . 1 1 62 62 LYS C C 13 175.227 . . 1 . . . . . . . . 6574 1 743 . 1 1 62 62 LYS CA C 13 55.252 . . 1 . . . . . . . . 6574 1 744 . 1 1 62 62 LYS CB C 13 33.502 . . 1 . . . . . . . . 6574 1 745 . 1 1 62 62 LYS CG C 13 25.393 . . 1 . . . . . . . . 6574 1 746 . 1 1 62 62 LYS CD C 13 29.134 . . 1 . . . . . . . . 6574 1 747 . 1 1 62 62 LYS CE C 13 42.352 . . 1 . . . . . . . . 6574 1 748 . 1 1 62 62 LYS N N 15 112.722 . . 1 . . . . . . . . 6574 1 749 . 1 1 63 63 PHE H H 1 7.076 . . 1 . . . . . . . . 6574 1 750 . 1 1 63 63 PHE HA H 1 4.637 . . 1 . . . . . . . . 6574 1 751 . 1 1 63 63 PHE HB2 H 1 3.037 . . 2 . . . . . . . . 6574 1 752 . 1 1 63 63 PHE HB3 H 1 2.776 . . 2 . . . . . . . . 6574 1 753 . 1 1 63 63 PHE HD1 H 1 6.865 . . 2 . . . . . . . . 6574 1 754 . 1 1 63 63 PHE HD2 H 1 6.864 . . 2 . . . . . . . . 6574 1 755 . 1 1 63 63 PHE HE1 H 1 6.863 . . 2 . . . . . . . . 6574 1 756 . 1 1 63 63 PHE HE2 H 1 6.864 . . 2 . . . . . . . . 6574 1 757 . 1 1 63 63 PHE C C 13 172.732 . . 1 . . . . . . . . 6574 1 758 . 1 1 63 63 PHE CA C 13 55.883 . . 1 . . . . . . . . 6574 1 759 . 1 1 63 63 PHE CB C 13 40.438 . . 1 . . . . . . . . 6574 1 760 . 1 1 63 63 PHE CD1 C 13 132.416 . . 1 . . . . . . . . 6574 1 761 . 1 1 63 63 PHE CD2 C 13 132.416 . . 1 . . . . . . . . 6574 1 762 . 1 1 63 63 PHE CE1 C 13 133.138 . . 1 . . . . . . . . 6574 1 763 . 1 1 63 63 PHE CE2 C 13 133.138 . . 1 . . . . . . . . 6574 1 764 . 1 1 63 63 PHE N N 15 115.803 . . 1 . . . . . . . . 6574 1 765 . 1 1 64 64 ALA H H 1 9.076 . . 1 . . . . . . . . 6574 1 766 . 1 1 64 64 ALA HA H 1 5.261 . . 1 . . . . . . . . 6574 1 767 . 1 1 64 64 ALA HB1 H 1 1.679 . . 1 . . . . . . . . 6574 1 768 . 1 1 64 64 ALA HB2 H 1 1.679 . . 1 . . . . . . . . 6574 1 769 . 1 1 64 64 ALA HB3 H 1 1.679 . . 1 . . . . . . . . 6574 1 770 . 1 1 64 64 ALA C C 13 174.669 . . 1 . . . . . . . . 6574 1 771 . 1 1 64 64 ALA CA C 13 49.615 . . 1 . . . . . . . . 6574 1 772 . 1 1 64 64 ALA CB C 13 24.326 . . 1 . . . . . . . . 6574 1 773 . 1 1 64 64 ALA N N 15 120.313 . . 1 . . . . . . . . 6574 1 774 . 1 1 65 65 PHE H H 1 8.992 . . 1 . . . . . . . . 6574 1 775 . 1 1 65 65 PHE HA H 1 5.593 . . 1 . . . . . . . . 6574 1 776 . 1 1 65 65 PHE HB2 H 1 3.426 . . 2 . . . . . . . . 6574 1 777 . 1 1 65 65 PHE HB3 H 1 2.966 . . 2 . . . . . . . . 6574 1 778 . 1 1 65 65 PHE HD1 H 1 7.402 . . 1 . . . . . . . . 6574 1 779 . 1 1 65 65 PHE HD2 H 1 7.402 . . 1 . . . . . . . . 6574 1 780 . 1 1 65 65 PHE HE1 H 1 7.313 . . 2 . . . . . . . . 6574 1 781 . 1 1 65 65 PHE HE2 H 1 7.311 . . 2 . . . . . . . . 6574 1 782 . 1 1 65 65 PHE C C 13 175.251 . . 1 . . . . . . . . 6574 1 783 . 1 1 65 65 PHE CA C 13 57.173 . . 1 . . . . . . . . 6574 1 784 . 1 1 65 65 PHE CB C 13 42.650 . . 1 . . . . . . . . 6574 1 785 . 1 1 65 65 PHE CD1 C 13 131.818 . . 1 . . . . . . . . 6574 1 786 . 1 1 65 65 PHE CD2 C 13 131.818 . . 1 . . . . . . . . 6574 1 787 . 1 1 65 65 PHE CE1 C 13 131.798 . . 2 . . . . . . . . 6574 1 788 . 1 1 65 65 PHE CE2 C 13 131.823 . . 2 . . . . . . . . 6574 1 789 . 1 1 65 65 PHE N N 15 118.036 . . 1 . . . . . . . . 6574 1 790 . 1 1 66 66 ALA H H 1 9.005 . . 1 . . . . . . . . 6574 1 791 . 1 1 66 66 ALA HA H 1 5.419 . . 1 . . . . . . . . 6574 1 792 . 1 1 66 66 ALA HB1 H 1 1.181 . . 1 . . . . . . . . 6574 1 793 . 1 1 66 66 ALA HB2 H 1 1.181 . . 1 . . . . . . . . 6574 1 794 . 1 1 66 66 ALA HB3 H 1 1.181 . . 1 . . . . . . . . 6574 1 795 . 1 1 66 66 ALA C C 13 174.491 . . 1 . . . . . . . . 6574 1 796 . 1 1 66 66 ALA CA C 13 50.721 . . 1 . . . . . . . . 6574 1 797 . 1 1 66 66 ALA CB C 13 24.828 . . 1 . . . . . . . . 6574 1 798 . 1 1 66 66 ALA N N 15 123.073 . . 1 . . . . . . . . 6574 1 799 . 1 1 67 67 GLU H H 1 8.505 . . 1 . . . . . . . . 6574 1 800 . 1 1 67 67 GLU HA H 1 5.092 . . 1 . . . . . . . . 6574 1 801 . 1 1 67 67 GLU HB2 H 1 2.105 . . 2 . . . . . . . . 6574 1 802 . 1 1 67 67 GLU HB3 H 1 1.978 . . 2 . . . . . . . . 6574 1 803 . 1 1 67 67 GLU HG2 H 1 2.422 . . 2 . . . . . . . . 6574 1 804 . 1 1 67 67 GLU HG3 H 1 2.327 . . 2 . . . . . . . . 6574 1 805 . 1 1 67 67 GLU C C 13 175.969 . . 1 . . . . . . . . 6574 1 806 . 1 1 67 67 GLU CA C 13 53.321 . . 1 . . . . . . . . 6574 1 807 . 1 1 67 67 GLU CB C 13 33.280 . . 1 . . . . . . . . 6574 1 808 . 1 1 67 67 GLU CG C 13 35.188 . . 1 . . . . . . . . 6574 1 809 . 1 1 67 67 GLU N N 15 115.139 . . 1 . . . . . . . . 6574 1 810 . 1 1 68 68 ARG H H 1 9.090 . . 1 . . . . . . . . 6574 1 811 . 1 1 68 68 ARG HA H 1 4.373 . . 1 . . . . . . . . 6574 1 812 . 1 1 68 68 ARG HB2 H 1 1.900 . . 2 . . . . . . . . 6574 1 813 . 1 1 68 68 ARG HB3 H 1 1.733 . . 2 . . . . . . . . 6574 1 814 . 1 1 68 68 ARG HG2 H 1 1.633 . . 2 . . . . . . . . 6574 1 815 . 1 1 68 68 ARG HG3 H 1 1.661 . . 2 . . . . . . . . 6574 1 816 . 1 1 68 68 ARG HD2 H 1 3.250 . . 2 . . . . . . . . 6574 1 817 . 1 1 68 68 ARG HD3 H 1 3.236 . . 2 . . . . . . . . 6574 1 818 . 1 1 68 68 ARG C C 13 176.179 . . 1 . . . . . . . . 6574 1 819 . 1 1 68 68 ARG CA C 13 57.793 . . 1 . . . . . . . . 6574 1 820 . 1 1 68 68 ARG CB C 13 30.926 . . 1 . . . . . . . . 6574 1 821 . 1 1 68 68 ARG CG C 13 27.063 . . 1 . . . . . . . . 6574 1 822 . 1 1 68 68 ARG CD C 13 44.046 . . 1 . . . . . . . . 6574 1 823 . 1 1 68 68 ARG N N 15 123.211 . . 1 . . . . . . . . 6574 1 824 . 1 1 69 69 VAL H H 1 8.445 . . 1 . . . . . . . . 6574 1 825 . 1 1 69 69 VAL HA H 1 4.199 . . 1 . . . . . . . . 6574 1 826 . 1 1 69 69 VAL HB H 1 1.921 . . 1 . . . . . . . . 6574 1 827 . 1 1 69 69 VAL HG11 H 1 0.898 . . 1 . . . . . . . . 6574 1 828 . 1 1 69 69 VAL HG12 H 1 0.898 . . 1 . . . . . . . . 6574 1 829 . 1 1 69 69 VAL HG13 H 1 0.898 . . 1 . . . . . . . . 6574 1 830 . 1 1 69 69 VAL HG21 H 1 0.829 . . 1 . . . . . . . . 6574 1 831 . 1 1 69 69 VAL HG22 H 1 0.829 . . 1 . . . . . . . . 6574 1 832 . 1 1 69 69 VAL HG23 H 1 0.829 . . 1 . . . . . . . . 6574 1 833 . 1 1 69 69 VAL C C 13 175.854 . . 1 . . . . . . . . 6574 1 834 . 1 1 69 69 VAL CA C 13 62.010 . . 1 . . . . . . . . 6574 1 835 . 1 1 69 69 VAL CB C 13 33.084 . . 1 . . . . . . . . 6574 1 836 . 1 1 69 69 VAL CG1 C 13 21.515 . . 1 . . . . . . . . 6574 1 837 . 1 1 69 69 VAL CG2 C 13 20.887 . . 1 . . . . . . . . 6574 1 838 . 1 1 69 69 VAL N N 15 125.001 . . 1 . . . . . . . . 6574 1 839 . 1 1 70 70 LEU H H 1 8.577 . . 1 . . . . . . . . 6574 1 840 . 1 1 70 70 LEU HA H 1 4.419 . . 1 . . . . . . . . 6574 1 841 . 1 1 70 70 LEU HB2 H 1 1.653 . . 2 . . . . . . . . 6574 1 842 . 1 1 70 70 LEU HB3 H 1 1.541 . . 2 . . . . . . . . 6574 1 843 . 1 1 70 70 LEU HG H 1 1.648 . . 1 . . . . . . . . 6574 1 844 . 1 1 70 70 LEU HD11 H 1 0.954 . . 1 . . . . . . . . 6574 1 845 . 1 1 70 70 LEU HD12 H 1 0.954 . . 1 . . . . . . . . 6574 1 846 . 1 1 70 70 LEU HD13 H 1 0.954 . . 1 . . . . . . . . 6574 1 847 . 1 1 70 70 LEU HD21 H 1 0.885 . . 1 . . . . . . . . 6574 1 848 . 1 1 70 70 LEU HD22 H 1 0.885 . . 1 . . . . . . . . 6574 1 849 . 1 1 70 70 LEU HD23 H 1 0.885 . . 1 . . . . . . . . 6574 1 850 . 1 1 70 70 LEU C C 13 176.979 . . 1 . . . . . . . . 6574 1 851 . 1 1 70 70 LEU CA C 13 55.186 . . 1 . . . . . . . . 6574 1 852 . 1 1 70 70 LEU CB C 13 42.416 . . 1 . . . . . . . . 6574 1 853 . 1 1 70 70 LEU CG C 13 27.123 . . 1 . . . . . . . . 6574 1 854 . 1 1 70 70 LEU CD1 C 13 25.084 . . 1 . . . . . . . . 6574 1 855 . 1 1 70 70 LEU CD2 C 13 23.248 . . 1 . . . . . . . . 6574 1 856 . 1 1 70 70 LEU N N 15 127.744 . . 1 . . . . . . . . 6574 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_1 _Coupling_constant_list.Entry_ID 6574 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 6574 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . . . 3 3 PHE H . . . . . . 3 3 PHE HA . . . 9.04 . . 1.5 . . . . . . . . . . . 6574 1 2 3JHNHA . . . 5 5 LYS H . . . . . . 5 5 LYS HA . . . 6.66 . . 1.5 . . . . . . . . . . . 6574 1 3 3JHNHA . . . 7 7 ALA H . . . . . . 7 7 ALA HA . . . 5.61 . . 1.5 . . . . . . . . . . . 6574 1 4 3JHNHA . . . 8 8 MET H . . . . . . 8 8 MET HA . . . 6.7 . . 1.5 . . . . . . . . . . . 6574 1 5 3JHNHA . . . 9 9 LYS H . . . . . . 9 9 LYS HA . . . 6.63 . . 1.5 . . . . . . . . . . . 6574 1 6 3JHNHA . . . 10 10 ASN H . . . . . . 10 10 ASN HA . . . 6.75 . . 1.5 . . . . . . . . . . . 6574 1 7 3JHNHA . . . 11 11 VAL H . . . . . . 11 11 VAL HA . . . 3.98 . . 1.5 . . . . . . . . . . . 6574 1 8 3JHNHA . . . 13 13 VAL H . . . . . . 13 13 VAL HA . . . 8.31 . . 1.5 . . . . . . . . . . . 6574 1 9 3JHNHA . . . 14 14 GLU H . . . . . . 14 14 GLU HA . . . 9.19 . . 1.5 . . . . . . . . . . . 6574 1 10 3JHNHA . . . 15 15 ALA H . . . . . . 15 15 ALA HA . . . 3.38 . . 1.5 . . . . . . . . . . . 6574 1 11 3JHNHA . . . 17 17 LYS H . . . . . . 17 17 LYS HA . . . 8.24 . . 1.5 . . . . . . . . . . . 6574 1 12 3JHNHA . . . 18 18 GLU H . . . . . . 18 18 GLU HA . . . 8.27 . . 1.5 . . . . . . . . . . . 6574 1 13 3JHNHA . . . 19 19 TYR H . . . . . . 19 19 TYR HA . . . 8.59 . . 1.5 . . . . . . . . . . . 6574 1 14 3JHNHA . . . 20 20 GLU H . . . . . . 20 20 GLU HA . . . 8.09 . . 1.5 . . . . . . . . . . . 6574 1 15 3JHNHA . . . 21 21 VAL H . . . . . . 21 21 VAL HA . . . 9.22 . . 1.5 . . . . . . . . . . . 6574 1 16 3JHNHA . . . 22 22 THR H . . . . . . 22 22 THR HA . . . 8.91 . . 1.5 . . . . . . . . . . . 6574 1 17 3JHNHA . . . 23 23 ILE H . . . . . . 23 23 ILE HA . . . 6.19 . . 1.5 . . . . . . . . . . . 6574 1 18 3JHNHA . . . 24 24 GLU H . . . . . . 24 24 GLU HA . . . 8.54 . . 1.5 . . . . . . . . . . . 6574 1 19 3JHNHA . . . 25 25 ASP H . . . . . . 25 25 ASP HA . . . 5.98 . . 1.5 . . . . . . . . . . . 6574 1 20 3JHNHA . . . 26 26 MET H . . . . . . 26 26 MET HA . . . 8.64 . . 1.5 . . . . . . . . . . . 6574 1 21 3JHNHA . . . 28 28 LYS H . . . . . . 28 28 LYS HA . . . 4.33 . . 1.5 . . . . . . . . . . . 6574 1 22 3JHNHA . . . 31 31 ASP H . . . . . . 31 31 ASP HA . . . 5.55 . . 1.5 . . . . . . . . . . . 6574 1 23 3JHNHA . . . 33 33 ILE H . . . . . . 33 33 ILE HA . . . 9.08 . . 1.5 . . . . . . . . . . . 6574 1 24 3JHNHA . . . 34 34 ALA H . . . . . . 34 34 ALA HA . . . 8.95 . . 1.5 . . . . . . . . . . . 6574 1 25 3JHNHA . . . 35 35 ARG H . . . . . . 35 35 ARG HA . . . 8.4 . . 1.5 . . . . . . . . . . . 6574 1 26 3JHNHA . . . 36 36 ILE H . . . . . . 36 36 ILE HA . . . 9.27 . . 1.5 . . . . . . . . . . . 6574 1 27 3JHNHA . . . 37 37 ASP H . . . . . . 37 37 ASP HA . . . 6.18 . . 1.5 . . . . . . . . . . . 6574 1 28 3JHNHA . . . 39 39 PHE H . . . . . . 39 39 PHE HA . . . 7.38 . . 1.5 . . . . . . . . . . . 6574 1 29 3JHNHA . . . 40 40 VAL H . . . . . . 40 40 VAL HA . . . 5.46 . . 1.5 . . . . . . . . . . . 6574 1 30 3JHNHA . . . 41 41 VAL H . . . . . . 41 41 VAL HA . . . 8.88 . . 1.5 . . . . . . . . . . . 6574 1 31 3JHNHA . . . 42 42 PHE H . . . . . . 42 42 PHE HA . . . 5.73 . . 1.5 . . . . . . . . . . . 6574 1 32 3JHNHA . . . 43 43 VAL H . . . . . . 43 43 VAL HA . . . 9.29 . . 1.5 . . . . . . . . . . . 6574 1 33 3JHNHA . . . 45 45 ASN H . . . . . . 45 45 ASN HA . . . 6.5 . . 1.5 . . . . . . . . . . . 6574 1 34 3JHNHA . . . 46 46 ALA H . . . . . . 46 46 ALA HA . . . 7.78 . . 1.5 . . . . . . . . . . . 6574 1 35 3JHNHA . . . 47 47 GLU H . . . . . . 47 47 GLU HA . . . 6.77 . . 1.5 . . . . . . . . . . . 6574 1 36 3JHNHA . . . 48 48 LYS H . . . . . . 48 48 LYS HA . . . 2.67 . . 1.5 . . . . . . . . . . . 6574 1 37 3JHNHA . . . 50 50 SER H . . . . . . 50 50 SER HA . . . 6.04 . . 1.5 . . . . . . . . . . . 6574 1 38 3JHNHA . . . 51 51 VAL H . . . . . . 51 51 VAL HA . . . 8.84 . . 1.5 . . . . . . . . . . . 6574 1 39 3JHNHA . . . 52 52 ILE H . . . . . . 52 52 ILE HA . . . 8.25 . . 1.5 . . . . . . . . . . . 6574 1 40 3JHNHA . . . 53 53 ASN H . . . . . . 53 53 ASN HA . . . 6.43 . . 1.5 . . . . . . . . . . . 6574 1 41 3JHNHA . . . 54 54 VAL H . . . . . . 54 54 VAL HA . . . 9.08 . . 1.5 . . . . . . . . . . . 6574 1 42 3JHNHA . . . 55 55 LYS H . . . . . . 55 55 LYS HA . . . 8.74 . . 1.5 . . . . . . . . . . . 6574 1 43 3JHNHA . . . 56 56 VAL H . . . . . . 56 56 VAL HA . . . 4.14 . . 1.5 . . . . . . . . . . . 6574 1 44 3JHNHA . . . 57 57 THR H . . . . . . 57 57 THR HA . . . 9.68 . . 1.5 . . . . . . . . . . . 6574 1 45 3JHNHA . . . 58 58 ALA H . . . . . . 58 58 ALA HA . . . 6.88 . . 1.5 . . . . . . . . . . . 6574 1 46 3JHNHA . . . 59 59 VAL H . . . . . . 59 59 VAL HA . . . 8.41 . . 1.5 . . . . . . . . . . . 6574 1 47 3JHNHA . . . 60 60 LYS H . . . . . . 60 60 LYS HA . . . 8.95 . . 1.5 . . . . . . . . . . . 6574 1 48 3JHNHA . . . 61 61 GLU H . . . . . . 61 61 GLU HA . . . 3.88 . . 1.5 . . . . . . . . . . . 6574 1 49 3JHNHA . . . 62 62 LYS H . . . . . . 62 62 LYS HA . . . 8.83 . . 1.5 . . . . . . . . . . . 6574 1 50 3JHNHA . . . 63 63 PHE H . . . . . . 63 63 PHE HA . . . 5.29 . . 1.5 . . . . . . . . . . . 6574 1 51 3JHNHA . . . 64 64 ALA H . . . . . . 64 64 ALA HA . . . 8.04 . . 1.5 . . . . . . . . . . . 6574 1 52 3JHNHA . . . 65 65 PHE H . . . . . . 65 65 PHE HA . . . 9.62 . . 1.5 . . . . . . . . . . . 6574 1 53 3JHNHA . . . 66 66 ALA H . . . . . . 66 66 ALA HA . . . 7.28 . . 1.5 . . . . . . . . . . . 6574 1 54 3JHNHA . . . 67 67 GLU H . . . . . . 67 67 GLU HA . . . 9.30 . . 1.5 . . . . . . . . . . . 6574 1 55 3JHNHA . . . 68 68 ARG H . . . . . . 68 68 ARG HA . . . 3.80 . . 1.5 . . . . . . . . . . . 6574 1 56 3JHNHA . . . 69 69 VAL H . . . . . . 69 69 VAL HA . . . 4.82 . . 1.5 . . . . . . . . . . . 6574 1 57 3JHNHA . . . 70 70 LEU H . . . . . . 70 70 LEU HA . . . 7.07 . . 1.5 . . . . . . . . . . . 6574 1 stop_ save_