data_6553 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6553 _Entry.Title ; Specific non-native hydrophobic interactions in a hidden folding intermediate: implication for protein folding ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-18 _Entry.Accession_date 2005-03-31 _Entry.Last_release_date 2005-08-30 _Entry.Original_release_date 2005-08-30 _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 H. Feng . . . 6553 2 T. Takei . . . 6553 3 R. Lipsitz . . . 6553 4 N. Tjandra . . . 6553 5 Y. Bai . . . 6553 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6553 coupling_constants 1 6553 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 315 6553 '15N chemical shifts' 113 6553 '1H chemical shifts' 672 6553 'coupling constants' 76 6553 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 . . 2005-08-30 2005-03-18 original author . 6553 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6552 'Multiple Folding Protein' 6553 PDB 1YZA 'BMRB Entry Tracking System' 6553 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6553 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14580191 _Citation.Full_citation . _Citation.Title ; Specific non-native hydrophobic interactions in a hidden folding intermediate: implications for protein folding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 43 _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 12461 _Citation.Page_last 12465 _Citation.Year 2003 _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 H. Feng . . . 6553 1 2 J. Takei . . . 6553 1 3 R. Lipsitz . . . 6553 1 4 N. Tjandra . . . 6553 1 5 Y. Bai . . . 6553 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Berkeley Structural Genomics Center' 6553 1 BSGC 6553 1 'Hidden folding Intermediate' 6553 1 hydrophobic-interactions 6553 1 non-native 6553 1 'protein folding' 6553 1 'Protein Structure Initiative' 6553 1 PSI 6553 1 'Rd-apocyt b562' 6553 1 'Structural Genomics' 6553 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_b562 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_b562 _Assembly.Entry_ID 6553 _Assembly.ID 1 _Assembly.Name 'Redesigned apo-cytochrome b562' _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 6553 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 'Redesigned apo-cytochrome b562' 1 $b562 . . . native . . . . . 6553 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1YZA . . . . . . 6553 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Redesigned apo-cytochrome b562' abbreviation 6553 1 'Redesigned apo-cytochrome b562' system 6553 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_b562 _Entity.Sf_category entity _Entity.Sf_framecode b562 _Entity.Entry_ID 6553 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'redesigned apo-cytochrome b562' _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 ; ADLEDNDETGNDNGKGGEKA DNAAQVKDALTKMRAAALDA QKATPPKLEDKSPDSPEMKD FRHGFDILVGQIDDALKLAN EGKVKEAQAAAEQLKTTIRA YNQKYG ; _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 106 _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 BMRB 6552 . b562 . . . . . 100.00 106 97.17 97.17 1.96e-63 . . . . 6553 1 2 no PDB 1YZA . "The Solution Structure Of A Redesigned Apocytochrome B562 (Rd-Apocyt B562) With The N-Terminal Helix Unfolded" . . . . . 100.00 106 100.00 100.00 6.50e-68 . . . . 6553 1 3 no PDB 1YZC . "The Solution Structure Of A Redesigned Apocytochrome B562 (Rd-Apocyt B562) With The N- And A Part Of The C-Terminal Helices Unf" . . . . . 100.00 106 97.17 97.17 1.96e-63 . . . . 6553 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'redesigned apo-cytochrome b562' abbreviation 6553 1 'redesigned apo-cytochrome b562' common 6553 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 6553 1 2 . ASP . 6553 1 3 . LEU . 6553 1 4 . GLU . 6553 1 5 . ASP . 6553 1 6 . ASN . 6553 1 7 . ASP . 6553 1 8 . GLU . 6553 1 9 . THR . 6553 1 10 . GLY . 6553 1 11 . ASN . 6553 1 12 . ASP . 6553 1 13 . ASN . 6553 1 14 . GLY . 6553 1 15 . LYS . 6553 1 16 . GLY . 6553 1 17 . GLY . 6553 1 18 . GLU . 6553 1 19 . LYS . 6553 1 20 . ALA . 6553 1 21 . ASP . 6553 1 22 . ASN . 6553 1 23 . ALA . 6553 1 24 . ALA . 6553 1 25 . GLN . 6553 1 26 . VAL . 6553 1 27 . LYS . 6553 1 28 . ASP . 6553 1 29 . ALA . 6553 1 30 . LEU . 6553 1 31 . THR . 6553 1 32 . LYS . 6553 1 33 . MET . 6553 1 34 . ARG . 6553 1 35 . ALA . 6553 1 36 . ALA . 6553 1 37 . ALA . 6553 1 38 . LEU . 6553 1 39 . ASP . 6553 1 40 . ALA . 6553 1 41 . GLN . 6553 1 42 . LYS . 6553 1 43 . ALA . 6553 1 44 . THR . 6553 1 45 . PRO . 6553 1 46 . PRO . 6553 1 47 . LYS . 6553 1 48 . LEU . 6553 1 49 . GLU . 6553 1 50 . ASP . 6553 1 51 . LYS . 6553 1 52 . SER . 6553 1 53 . PRO . 6553 1 54 . ASP . 6553 1 55 . SER . 6553 1 56 . PRO . 6553 1 57 . GLU . 6553 1 58 . MET . 6553 1 59 . LYS . 6553 1 60 . ASP . 6553 1 61 . PHE . 6553 1 62 . ARG . 6553 1 63 . HIS . 6553 1 64 . GLY . 6553 1 65 . PHE . 6553 1 66 . ASP . 6553 1 67 . ILE . 6553 1 68 . LEU . 6553 1 69 . VAL . 6553 1 70 . GLY . 6553 1 71 . GLN . 6553 1 72 . ILE . 6553 1 73 . ASP . 6553 1 74 . ASP . 6553 1 75 . ALA . 6553 1 76 . LEU . 6553 1 77 . LYS . 6553 1 78 . LEU . 6553 1 79 . ALA . 6553 1 80 . ASN . 6553 1 81 . GLU . 6553 1 82 . GLY . 6553 1 83 . LYS . 6553 1 84 . VAL . 6553 1 85 . LYS . 6553 1 86 . GLU . 6553 1 87 . ALA . 6553 1 88 . GLN . 6553 1 89 . ALA . 6553 1 90 . ALA . 6553 1 91 . ALA . 6553 1 92 . GLU . 6553 1 93 . GLN . 6553 1 94 . LEU . 6553 1 95 . LYS . 6553 1 96 . THR . 6553 1 97 . THR . 6553 1 98 . ILE . 6553 1 99 . ARG . 6553 1 100 . ALA . 6553 1 101 . TYR . 6553 1 102 . ASN . 6553 1 103 . GLN . 6553 1 104 . LYS . 6553 1 105 . TYR . 6553 1 106 . GLY . 6553 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 6553 1 . ASP 2 2 6553 1 . LEU 3 3 6553 1 . GLU 4 4 6553 1 . ASP 5 5 6553 1 . ASN 6 6 6553 1 . ASP 7 7 6553 1 . GLU 8 8 6553 1 . THR 9 9 6553 1 . GLY 10 10 6553 1 . ASN 11 11 6553 1 . ASP 12 12 6553 1 . ASN 13 13 6553 1 . GLY 14 14 6553 1 . LYS 15 15 6553 1 . GLY 16 16 6553 1 . GLY 17 17 6553 1 . GLU 18 18 6553 1 . LYS 19 19 6553 1 . ALA 20 20 6553 1 . ASP 21 21 6553 1 . ASN 22 22 6553 1 . ALA 23 23 6553 1 . ALA 24 24 6553 1 . GLN 25 25 6553 1 . VAL 26 26 6553 1 . LYS 27 27 6553 1 . ASP 28 28 6553 1 . ALA 29 29 6553 1 . LEU 30 30 6553 1 . THR 31 31 6553 1 . LYS 32 32 6553 1 . MET 33 33 6553 1 . ARG 34 34 6553 1 . ALA 35 35 6553 1 . ALA 36 36 6553 1 . ALA 37 37 6553 1 . LEU 38 38 6553 1 . ASP 39 39 6553 1 . ALA 40 40 6553 1 . GLN 41 41 6553 1 . LYS 42 42 6553 1 . ALA 43 43 6553 1 . THR 44 44 6553 1 . PRO 45 45 6553 1 . PRO 46 46 6553 1 . LYS 47 47 6553 1 . LEU 48 48 6553 1 . GLU 49 49 6553 1 . ASP 50 50 6553 1 . LYS 51 51 6553 1 . SER 52 52 6553 1 . PRO 53 53 6553 1 . ASP 54 54 6553 1 . SER 55 55 6553 1 . PRO 56 56 6553 1 . GLU 57 57 6553 1 . MET 58 58 6553 1 . LYS 59 59 6553 1 . ASP 60 60 6553 1 . PHE 61 61 6553 1 . ARG 62 62 6553 1 . HIS 63 63 6553 1 . GLY 64 64 6553 1 . PHE 65 65 6553 1 . ASP 66 66 6553 1 . ILE 67 67 6553 1 . LEU 68 68 6553 1 . VAL 69 69 6553 1 . GLY 70 70 6553 1 . GLN 71 71 6553 1 . ILE 72 72 6553 1 . ASP 73 73 6553 1 . ASP 74 74 6553 1 . ALA 75 75 6553 1 . LEU 76 76 6553 1 . LYS 77 77 6553 1 . LEU 78 78 6553 1 . ALA 79 79 6553 1 . ASN 80 80 6553 1 . GLU 81 81 6553 1 . GLY 82 82 6553 1 . LYS 83 83 6553 1 . VAL 84 84 6553 1 . LYS 85 85 6553 1 . GLU 86 86 6553 1 . ALA 87 87 6553 1 . GLN 88 88 6553 1 . ALA 89 89 6553 1 . ALA 90 90 6553 1 . ALA 91 91 6553 1 . GLU 92 92 6553 1 . GLN 93 93 6553 1 . LEU 94 94 6553 1 . LYS 95 95 6553 1 . THR 96 96 6553 1 . THR 97 97 6553 1 . ILE 98 98 6553 1 . ARG 99 99 6553 1 . ALA 100 100 6553 1 . TYR 101 101 6553 1 . ASN 102 102 6553 1 . GLN 103 103 6553 1 . LYS 104 104 6553 1 . TYR 105 105 6553 1 . GLY 106 106 6553 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 6553 _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 $b562 . 9606 . . 'Homon sapiens' Human . . Eukaryota Metazoa Homon sapiens . . . . . . . . . . . . . . . . . . . . . 6553 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 6553 _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 $b562 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6553 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6553 _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 'redesigned apo-cytochrome b562' . . . 1 $b562 . . . . . mM . . . . 6553 1 2 'sodium acetate' . . . . . . . . . . mM . . . . 6553 1 3 H2O . . . . . . . 92.5 . . % . . . . 6553 1 4 D2O . . . . . . . 7.5 . . % . . . . 6553 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6553 _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 'redesigned apo-cytochrome b562' . . . 1 $b562 . . . . . mM . . . . 6553 2 2 D2O . . . . . . . 99 . . % . . . . 6553 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 6553 _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 4.84 . pH 6553 1 pressure 1 . atm 6553 1 temperature 298 . K 6553 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 6553 _Software.ID 1 _Software.Name X-PLOR _Software.Version XPLOR-NIH-2.9 _Software.Details 'Schwieters, C.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6553 1 'structure solution' 6553 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6553 _Software.ID 2 _Software.Name NMRPipe _Software.Version 5.0.4 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6553 2 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 6553 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6553 _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 DRX . 750 . . . 6553 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 6553 _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 '2D HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6553 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6553 1 3 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6553 1 4 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6553 1 5 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6553 1 6 '3D CBCACONH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6553 1 7 'D HAHBCONH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6553 1 8 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6553 1 9 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6553 1 10 '2D residual dipolar expts' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6553 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 6553 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6553 _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 6553 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6553 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6553 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ 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 6553 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D CBCACONH' _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 6553 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 'D HAHBCONH' _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 6553 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HNCO' _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 6553 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '2D 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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6553 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '2D residual dipolar expts' _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 6553 _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 C 13 . . . . . . ppm . . . . . . . . . . . . . 6553 1 H 1 . . . . . . ppm . . . . . . . . . . . . . 6553 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 6553 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 6553 _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 $sample_1 . 6553 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.0000 . . . . . . . . . . . 6553 1 2 . 1 1 1 1 ALA HB1 H 1 1.4000 . . . . . . . . . . . 6553 1 3 . 1 1 1 1 ALA HB2 H 1 1.4000 . . . . . . . . . . . 6553 1 4 . 1 1 1 1 ALA HB3 H 1 1.4000 . . . . . . . . . . . 6553 1 5 . 1 1 1 1 ALA CA C 13 49.1610 . . . . . . . . . . . 6553 1 6 . 1 1 1 1 ALA CB C 13 17.1360 . . . . . . . . . . . 6553 1 7 . 1 1 2 2 ASP H H 1 8.6290 . . . . . . . . . . . 6553 1 8 . 1 1 2 2 ASP HA H 1 4.6800 . . . . . . . . . . . 6553 1 9 . 1 1 2 2 ASP HB2 H 1 2.8100 . . . . . . . . . . . 6553 1 10 . 1 1 2 2 ASP HB3 H 1 2.7600 . . . . . . . . . . . 6553 1 11 . 1 1 2 2 ASP CA C 13 52.1620 . . . . . . . . . . . 6553 1 12 . 1 1 2 2 ASP CB C 13 38.9450 . . . . . . . . . . . 6553 1 13 . 1 1 2 2 ASP N N 15 120.4780 . . . . . . . . . . . 6553 1 14 . 1 1 3 3 LEU H H 1 8.3110 . . . . . . . . . . . 6553 1 15 . 1 1 3 3 LEU HA H 1 4.2400 . . . . . . . . . . . 6553 1 16 . 1 1 3 3 LEU HB2 H 1 1.5500 . . . . . . . . . . . 6553 1 17 . 1 1 3 3 LEU HB3 H 1 1.5500 . . . . . . . . . . . 6553 1 18 . 1 1 3 3 LEU HG H 1 1.3700 . . . . . . . . . . . 6553 1 19 . 1 1 3 3 LEU HD11 H 1 0.8700 . . . . . . . . . . . 6553 1 20 . 1 1 3 3 LEU HD12 H 1 0.8700 . . . . . . . . . . . 6553 1 21 . 1 1 3 3 LEU HD13 H 1 0.8700 . . . . . . . . . . . 6553 1 22 . 1 1 3 3 LEU HD21 H 1 0.8100 . . . . . . . . . . . 6553 1 23 . 1 1 3 3 LEU HD22 H 1 0.8100 . . . . . . . . . . . 6553 1 24 . 1 1 3 3 LEU HD23 H 1 0.8100 . . . . . . . . . . . 6553 1 25 . 1 1 3 3 LEU CA C 13 53.1980 . . . . . . . . . . . 6553 1 26 . 1 1 3 3 LEU CB C 13 39.9770 . . . . . . . . . . . 6553 1 27 . 1 1 3 3 LEU CG C 13 23.5300 . . . . . . . . . . . 6553 1 28 . 1 1 3 3 LEU CD1 C 13 22.5900 . . . . . . . . . . . 6553 1 29 . 1 1 3 3 LEU CD2 C 13 22.5900 . . . . . . . . . . . 6553 1 30 . 1 1 3 3 LEU N N 15 122.1780 . . . . . . . . . . . 6553 1 31 . 1 1 4 4 GLU H H 1 8.3260 . . . . . . . . . . . 6553 1 32 . 1 1 4 4 GLU HA H 1 4.2400 . . . . . . . . . . . 6553 1 33 . 1 1 4 4 GLU HB2 H 1 1.9400 . . . . . . . . . . . 6553 1 34 . 1 1 4 4 GLU HB3 H 1 1.9400 . . . . . . . . . . . 6553 1 35 . 1 1 4 4 GLU HG2 H 1 2.2600 . . . . . . . . . . . 6553 1 36 . 1 1 4 4 GLU HG3 H 1 2.2600 . . . . . . . . . . . 6553 1 37 . 1 1 4 4 GLU CA C 13 54.0210 . . . . . . . . . . . 6553 1 38 . 1 1 4 4 GLU CB C 13 27.6890 . . . . . . . . . . . 6553 1 39 . 1 1 4 4 GLU CG C 13 35.1000 . . . . . . . . . . . 6553 1 40 . 1 1 4 4 GLU N N 15 120.4900 . . . . . . . . . . . 6553 1 41 . 1 1 5 5 ASP H H 1 8.2360 . . . . . . . . . . . 6553 1 42 . 1 1 5 5 ASP HA H 1 4.5800 . . . . . . . . . . . 6553 1 43 . 1 1 5 5 ASP HB2 H 1 2.5700 . . . . . . . . . . . 6553 1 44 . 1 1 5 5 ASP HB3 H 1 2.5700 . . . . . . . . . . . 6553 1 45 . 1 1 5 5 ASP CA C 13 51.6460 . . . . . . . . . . . 6553 1 46 . 1 1 5 5 ASP CB C 13 38.5320 . . . . . . . . . . . 6553 1 47 . 1 1 5 5 ASP N N 15 120.6490 . . . . . . . . . . . 6553 1 48 . 1 1 6 6 ASN H H 1 8.3030 . . . . . . . . . . . 6553 1 49 . 1 1 6 6 ASN HA H 1 4.5800 . . . . . . . . . . . 6553 1 50 . 1 1 6 6 ASN HB2 H 1 2.7700 . . . . . . . . . . . 6553 1 51 . 1 1 6 6 ASN HB3 H 1 2.6900 . . . . . . . . . . . 6553 1 52 . 1 1 6 6 ASN HD21 H 1 7.5240 . . . . . . . . . . . 6553 1 53 . 1 1 6 6 ASN HD22 H 1 6.8340 . . . . . . . . . . . 6553 1 54 . 1 1 6 6 ASN CA C 13 50.9230 . . . . . . . . . . . 6553 1 55 . 1 1 6 6 ASN CB C 13 36.9830 . . . . . . . . . . . 6553 1 56 . 1 1 6 6 ASN N N 15 119.0140 . . . . . . . . . . . 6553 1 57 . 1 1 6 6 ASN ND2 N 15 113.7010 . . . . . . . . . . . 6553 1 58 . 1 1 7 7 ASP H H 1 8.3650 . . . . . . . . . . . 6553 1 59 . 1 1 7 7 ASP HA H 1 4.6600 . . . . . . . . . . . 6553 1 60 . 1 1 7 7 ASP HB2 H 1 2.6500 . . . . . . . . . . . 6553 1 61 . 1 1 7 7 ASP HB3 H 1 2.6500 . . . . . . . . . . . 6553 1 62 . 1 1 7 7 ASP CA C 13 52.1620 . . . . . . . . . . . 6553 1 63 . 1 1 7 7 ASP CB C 13 38.5320 . . . . . . . . . . . 6553 1 64 . 1 1 7 7 ASP N N 15 120.1990 . . . . . . . . . . . 6553 1 65 . 1 1 8 8 GLU H H 1 8.3820 . . . . . . . . . . . 6553 1 66 . 1 1 8 8 GLU HA H 1 4.3200 . . . . . . . . . . . 6553 1 67 . 1 1 8 8 GLU HB2 H 1 1.9400 . . . . . . . . . . . 6553 1 68 . 1 1 8 8 GLU HB3 H 1 1.9400 . . . . . . . . . . . 6553 1 69 . 1 1 8 8 GLU HG2 H 1 2.2600 . . . . . . . . . . . 6553 1 70 . 1 1 8 8 GLU HG3 H 1 2.2600 . . . . . . . . . . . 6553 1 71 . 1 1 8 8 GLU CA C 13 54.4340 . . . . . . . . . . . 6553 1 72 . 1 1 8 8 GLU CB C 13 27.3790 . . . . . . . . . . . 6553 1 73 . 1 1 8 8 GLU CG C 13 33.7500 . . . . . . . . . . . 6553 1 74 . 1 1 8 8 GLU N N 15 121.0460 . . . . . . . . . . . 6553 1 75 . 1 1 9 9 THR H H 1 8.1690 . . . . . . . . . . . 6553 1 76 . 1 1 9 9 THR HA H 1 4.2500 . . . . . . . . . . . 6553 1 77 . 1 1 9 9 THR HB H 1 4.2600 . . . . . . . . . . . 6553 1 78 . 1 1 9 9 THR HG21 H 1 1.1600 . . . . . . . . . . . 6553 1 79 . 1 1 9 9 THR HG22 H 1 1.1600 . . . . . . . . . . . 6553 1 80 . 1 1 9 9 THR HG23 H 1 1.1600 . . . . . . . . . . . 6553 1 81 . 1 1 9 9 THR CA C 13 60.1140 . . . . . . . . . . . 6553 1 82 . 1 1 9 9 THR CB C 13 67.5490 . . . . . . . . . . . 6553 1 83 . 1 1 9 9 THR CG2 C 13 19.5500 . . . . . . . . . . . 6553 1 84 . 1 1 9 9 THR N N 15 113.5290 . . . . . . . . . . . 6553 1 85 . 1 1 10 10 GLY H H 1 8.3190 . . . . . . . . . . . 6553 1 86 . 1 1 10 10 GLY HA2 H 1 3.9100 . . . . . . . . . . . 6553 1 87 . 1 1 10 10 GLY HA3 H 1 3.9100 . . . . . . . . . . . 6553 1 88 . 1 1 10 10 GLY CA C 13 43.3850 . . . . . . . . . . . 6553 1 89 . 1 1 10 10 GLY N N 15 110.5670 . . . . . . . . . . . 6553 1 90 . 1 1 11 11 ASN H H 1 8.1840 . . . . . . . . . . . 6553 1 91 . 1 1 11 11 ASN HA H 1 4.6800 . . . . . . . . . . . 6553 1 92 . 1 1 11 11 ASN HB2 H 1 2.7100 . . . . . . . . . . . 6553 1 93 . 1 1 11 11 ASN HB3 H 1 2.7100 . . . . . . . . . . . 6553 1 94 . 1 1 11 11 ASN HD21 H 1 7.5230 . . . . . . . . . . . 6553 1 95 . 1 1 11 11 ASN HD22 H 1 6.8330 . . . . . . . . . . . 6553 1 96 . 1 1 11 11 ASN CA C 13 50.9230 . . . . . . . . . . . 6553 1 97 . 1 1 11 11 ASN CB C 13 36.8810 . . . . . . . . . . . 6553 1 98 . 1 1 11 11 ASN N N 15 118.2700 . . . . . . . . . . . 6553 1 99 . 1 1 11 11 ASN ND2 N 15 112.5560 . . . . . . . . . . . 6553 1 100 . 1 1 12 12 ASP H H 1 8.3640 . . . . . . . . . . . 6553 1 101 . 1 1 12 12 ASP HA H 1 4.6900 . . . . . . . . . . . 6553 1 102 . 1 1 12 12 ASP HB2 H 1 2.6800 . . . . . . . . . . . 6553 1 103 . 1 1 12 12 ASP HB3 H 1 2.6800 . . . . . . . . . . . 6553 1 104 . 1 1 12 12 ASP CA C 13 52.0590 . . . . . . . . . . . 6553 1 105 . 1 1 12 12 ASP CB C 13 38.7380 . . . . . . . . . . . 6553 1 106 . 1 1 12 12 ASP N N 15 120.3340 . . . . . . . . . . . 6553 1 107 . 1 1 13 13 ASN H H 1 8.3780 . . . . . . . . . . . 6553 1 108 . 1 1 13 13 ASN HA H 1 4.6100 . . . . . . . . . . . 6553 1 109 . 1 1 13 13 ASN HB2 H 1 2.7800 . . . . . . . . . . . 6553 1 110 . 1 1 13 13 ASN HB3 H 1 2.7800 . . . . . . . . . . . 6553 1 111 . 1 1 13 13 ASN HD21 H 1 7.5200 . . . . . . . . . . . 6553 1 112 . 1 1 13 13 ASN HD22 H 1 6.8560 . . . . . . . . . . . 6553 1 113 . 1 1 13 13 ASN CA C 13 51.2230 . . . . . . . . . . . 6553 1 114 . 1 1 13 13 ASN CB C 13 36.4660 . . . . . . . . . . . 6553 1 115 . 1 1 13 13 ASN N N 15 118.8900 . . . . . . . . . . . 6553 1 116 . 1 1 13 13 ASN ND2 N 15 112.3300 . . . . . . . . . . . 6553 1 117 . 1 1 14 14 GLY H H 1 8.3900 . . . . . . . . . . . 6553 1 118 . 1 1 14 14 GLY HA2 H 1 3.8900 . . . . . . . . . . . 6553 1 119 . 1 1 14 14 GLY HA3 H 1 3.8900 . . . . . . . . . . . 6553 1 120 . 1 1 14 14 GLY CA C 13 43.5920 . . . . . . . . . . . 6553 1 121 . 1 1 14 14 GLY N N 15 108.4350 . . . . . . . . . . . 6553 1 122 . 1 1 15 15 LYS H H 1 8.0180 . . . . . . . . . . . 6553 1 123 . 1 1 15 15 LYS HA H 1 4.2700 . . . . . . . . . . . 6553 1 124 . 1 1 15 15 LYS HB2 H 1 1.7600 . . . . . . . . . . . 6553 1 125 . 1 1 15 15 LYS HB3 H 1 1.7600 . . . . . . . . . . . 6553 1 126 . 1 1 15 15 LYS HG2 H 1 1.3700 . . . . . . . . . . . 6553 1 127 . 1 1 15 15 LYS HG3 H 1 1.3700 . . . . . . . . . . . 6553 1 128 . 1 1 15 15 LYS HD2 H 1 1.5200 . . . . . . . . . . . 6553 1 129 . 1 1 15 15 LYS HD3 H 1 1.5200 . . . . . . . . . . . 6553 1 130 . 1 1 15 15 LYS HE2 H 1 2.9400 . . . . . . . . . . . 6553 1 131 . 1 1 15 15 LYS CA C 13 54.1240 . . . . . . . . . . . 6553 1 132 . 1 1 15 15 LYS CB C 13 30.5800 . . . . . . . . . . . 6553 1 133 . 1 1 15 15 LYS CG C 13 23.1000 . . . . . . . . . . . 6553 1 134 . 1 1 15 15 LYS CD C 13 27.5000 . . . . . . . . . . . 6553 1 135 . 1 1 15 15 LYS CE C 13 40.4100 . . . . . . . . . . . 6553 1 136 . 1 1 15 15 LYS N N 15 120.1620 . . . . . . . . . . . 6553 1 137 . 1 1 16 16 GLY H H 1 8.4730 . . . . . . . . . . . 6553 1 138 . 1 1 16 16 GLY HA2 H 1 3.9100 . . . . . . . . . . . 6553 1 139 . 1 1 16 16 GLY HA3 H 1 3.9100 . . . . . . . . . . . 6553 1 140 . 1 1 16 16 GLY CA C 13 43.3850 . . . . . . . . . . . 6553 1 141 . 1 1 16 16 GLY N N 15 109.4820 . . . . . . . . . . . 6553 1 142 . 1 1 17 17 GLY H H 1 8.2130 . . . . . . . . . . . 6553 1 143 . 1 1 17 17 GLY HA2 H 1 3.9200 . . . . . . . . . . . 6553 1 144 . 1 1 17 17 GLY HA3 H 1 3.9200 . . . . . . . . . . . 6553 1 145 . 1 1 17 17 GLY CA C 13 43.0750 . . . . . . . . . . . 6553 1 146 . 1 1 17 17 GLY N N 15 108.5570 . . . . . . . . . . . 6553 1 147 . 1 1 18 18 GLU H H 1 8.3090 . . . . . . . . . . . 6553 1 148 . 1 1 18 18 GLU HA H 1 4.6300 . . . . . . . . . . . 6553 1 149 . 1 1 18 18 GLU HB2 H 1 1.9200 . . . . . . . . . . . 6553 1 150 . 1 1 18 18 GLU HB3 H 1 1.9200 . . . . . . . . . . . 6553 1 151 . 1 1 18 18 GLU HG2 H 1 2.2400 . . . . . . . . . . . 6553 1 152 . 1 1 18 18 GLU HG3 H 1 2.2400 . . . . . . . . . . . 6553 1 153 . 1 1 18 18 GLU CA C 13 54.5380 . . . . . . . . . . . 6553 1 154 . 1 1 18 18 GLU CB C 13 27.7920 . . . . . . . . . . . 6553 1 155 . 1 1 18 18 GLU CG C 13 33.8400 . . . . . . . . . . . 6553 1 156 . 1 1 18 18 GLU N N 15 120.2790 . . . . . . . . . . . 6553 1 157 . 1 1 19 19 LYS H H 1 8.3280 . . . . . . . . . . . 6553 1 158 . 1 1 19 19 LYS HA H 1 4.2400 . . . . . . . . . . . 6553 1 159 . 1 1 19 19 LYS HB2 H 1 1.7100 . . . . . . . . . . . 6553 1 160 . 1 1 19 19 LYS HG2 H 1 1.3500 . . . . . . . . . . . 6553 1 161 . 1 1 19 19 LYS HD2 H 1 1.5400 . . . . . . . . . . . 6553 1 162 . 1 1 19 19 LYS HE2 H 1 2.9300 . . . . . . . . . . . 6553 1 163 . 1 1 19 19 LYS CA C 13 54.0210 . . . . . . . . . . . 6553 1 164 . 1 1 19 19 LYS CB C 13 30.6840 . . . . . . . . . . . 6553 1 165 . 1 1 19 19 LYS CG C 13 23.0600 . . . . . . . . . . . 6553 1 166 . 1 1 19 19 LYS CD C 13 27.5200 . . . . . . . . . . . 6553 1 167 . 1 1 19 19 LYS CE C 13 40.4100 . . . . . . . . . . . 6553 1 168 . 1 1 19 19 LYS N N 15 121.9420 . . . . . . . . . . . 6553 1 169 . 1 1 20 20 ALA H H 1 8.2090 . . . . . . . . . . . 6553 1 170 . 1 1 20 20 ALA HA H 1 4.2500 . . . . . . . . . . . 6553 1 171 . 1 1 20 20 ALA HB1 H 1 1.3100 . . . . . . . . . . . 6553 1 172 . 1 1 20 20 ALA HB2 H 1 1.3100 . . . . . . . . . . . 6553 1 173 . 1 1 20 20 ALA HB3 H 1 1.3100 . . . . . . . . . . . 6553 1 174 . 1 1 20 20 ALA CA C 13 50.4070 . . . . . . . . . . . 6553 1 175 . 1 1 20 20 ALA CB C 13 17.1560 . . . . . . . . . . . 6553 1 176 . 1 1 20 20 ALA N N 15 124.6170 . . . . . . . . . . . 6553 1 177 . 1 1 21 21 ASP H H 1 8.2460 . . . . . . . . . . . 6553 1 178 . 1 1 21 21 ASP HA H 1 4.5660 . . . . . . . . . . . 6553 1 179 . 1 1 21 21 ASP HB2 H 1 2.6530 . . . . . . . . . . . 6553 1 180 . 1 1 21 21 ASP HB3 H 1 2.6530 . . . . . . . . . . . 6553 1 181 . 1 1 21 21 ASP CA C 13 51.5430 . . . . . . . . . . . 6553 1 182 . 1 1 21 21 ASP CB C 13 38.8420 . . . . . . . . . . . 6553 1 183 . 1 1 21 21 ASP N N 15 119.7280 . . . . . . . . . . . 6553 1 184 . 1 1 22 22 ASN H H 1 8.4190 . . . . . . . . . . . 6553 1 185 . 1 1 22 22 ASN HA H 1 4.5600 . . . . . . . . . . . 6553 1 186 . 1 1 22 22 ASN HB2 H 1 2.6500 . . . . . . . . . . . 6553 1 187 . 1 1 22 22 ASN HB3 H 1 2.7800 . . . . . . . . . . . 6553 1 188 . 1 1 22 22 ASN HD21 H 1 7.5520 . . . . . . . . . . . 6553 1 189 . 1 1 22 22 ASN HD22 H 1 6.8970 . . . . . . . . . . . 6553 1 190 . 1 1 22 22 ASN CA C 13 52.2660 . . . . . . . . . . . 6553 1 191 . 1 1 22 22 ASN CB C 13 36.4660 . . . . . . . . . . . 6553 1 192 . 1 1 22 22 ASN N N 15 119.7710 . . . . . . . . . . . 6553 1 193 . 1 1 22 22 ASN ND2 N 15 111.8370 . . . . . . . . . . . 6553 1 194 . 1 1 23 23 ALA H H 1 8.4470 . . . . . . . . . . . 6553 1 195 . 1 1 23 23 ALA HA H 1 4.0100 . . . . . . . . . . . 6553 1 196 . 1 1 23 23 ALA HB1 H 1 1.4000 . . . . . . . . . . . 6553 1 197 . 1 1 23 23 ALA HB2 H 1 1.4000 . . . . . . . . . . . 6553 1 198 . 1 1 23 23 ALA HB3 H 1 1.4000 . . . . . . . . . . . 6553 1 199 . 1 1 23 23 ALA CA C 13 52.2260 . . . . . . . . . . . 6553 1 200 . 1 1 23 23 ALA CB C 13 16.5370 . . . . . . . . . . . 6553 1 201 . 1 1 23 23 ALA N N 15 122.5270 . . . . . . . . . . . 6553 1 202 . 1 1 24 24 ALA H H 1 7.9520 . . . . . . . . . . . 6553 1 203 . 1 1 24 24 ALA HA H 1 3.9200 . . . . . . . . . . . 6553 1 204 . 1 1 24 24 ALA HB1 H 1 1.4800 . . . . . . . . . . . 6553 1 205 . 1 1 24 24 ALA HB2 H 1 1.4800 . . . . . . . . . . . 6553 1 206 . 1 1 24 24 ALA HB3 H 1 1.4800 . . . . . . . . . . . 6553 1 207 . 1 1 24 24 ALA CA C 13 53.1950 . . . . . . . . . . . 6553 1 208 . 1 1 24 24 ALA CB C 13 16.0210 . . . . . . . . . . . 6553 1 209 . 1 1 24 24 ALA N N 15 120.2180 . . . . . . . . . . . 6553 1 210 . 1 1 25 25 GLN H H 1 8.0850 . . . . . . . . . . . 6553 1 211 . 1 1 25 25 GLN HA H 1 4.0400 . . . . . . . . . . . 6553 1 212 . 1 1 25 25 GLN HB2 H 1 2.1200 . . . . . . . . . . . 6553 1 213 . 1 1 25 25 GLN HB3 H 1 2.1200 . . . . . . . . . . . 6553 1 214 . 1 1 25 25 GLN HG2 H 1 2.4400 . . . . . . . . . . . 6553 1 215 . 1 1 25 25 GLN HG3 H 1 2.4400 . . . . . . . . . . . 6553 1 216 . 1 1 25 25 GLN HE21 H 1 7.4070 . . . . . . . . . . . 6553 1 217 . 1 1 25 25 GLN HE22 H 1 6.8130 . . . . . . . . . . . 6553 1 218 . 1 1 25 25 GLN CA C 13 56.9130 . . . . . . . . . . . 6553 1 219 . 1 1 25 25 GLN CB C 13 26.1450 . . . . . . . . . . . 6553 1 220 . 1 1 25 25 GLN CG C 13 32.4400 . . . . . . . . . . . 6553 1 221 . 1 1 25 25 GLN N N 15 117.2660 . . . . . . . . . . . 6553 1 222 . 1 1 25 25 GLN NE2 N 15 111.6720 . . . . . . . . . . . 6553 1 223 . 1 1 26 26 VAL H H 1 8.0610 . . . . . . . . . . . 6553 1 224 . 1 1 26 26 VAL HA H 1 3.9400 . . . . . . . . . . . 6553 1 225 . 1 1 26 26 VAL HB H 1 2.0600 . . . . . . . . . . . 6553 1 226 . 1 1 26 26 VAL HG11 H 1 0.9200 . . . . . . . . . . . 6553 1 227 . 1 1 26 26 VAL HG12 H 1 0.9200 . . . . . . . . . . . 6553 1 228 . 1 1 26 26 VAL HG13 H 1 0.9200 . . . . . . . . . . . 6553 1 229 . 1 1 26 26 VAL HG21 H 1 0.8400 . . . . . . . . . . . 6553 1 230 . 1 1 26 26 VAL HG22 H 1 0.8400 . . . . . . . . . . . 6553 1 231 . 1 1 26 26 VAL HG23 H 1 0.8400 . . . . . . . . . . . 6553 1 232 . 1 1 26 26 VAL CA C 13 62.9020 . . . . . . . . . . . 6553 1 233 . 1 1 26 26 VAL CB C 13 29.3410 . . . . . . . . . . . 6553 1 234 . 1 1 26 26 VAL CG1 C 13 20.2500 . . . . . . . . . . . 6553 1 235 . 1 1 26 26 VAL CG2 C 13 20.2500 . . . . . . . . . . . 6553 1 236 . 1 1 26 26 VAL N N 15 121.2760 . . . . . . . . . . . 6553 1 237 . 1 1 27 27 LYS H H 1 8.1030 . . . . . . . . . . . 6553 1 238 . 1 1 27 27 LYS HA H 1 3.7500 . . . . . . . . . . . 6553 1 239 . 1 1 27 27 LYS HB2 H 1 1.7500 . . . . . . . . . . . 6553 1 240 . 1 1 27 27 LYS HB3 H 1 1.7500 . . . . . . . . . . . 6553 1 241 . 1 1 27 27 LYS HG2 H 1 1.5500 . . . . . . . . . . . 6553 1 242 . 1 1 27 27 LYS HG3 H 1 1.5500 . . . . . . . . . . . 6553 1 243 . 1 1 27 27 LYS HD2 H 1 1.6910 . . . . . . . . . . . 6553 1 244 . 1 1 27 27 LYS HD3 H 1 1.6910 . . . . . . . . . . . 6553 1 245 . 1 1 27 27 LYS HE2 H 1 2.7600 . . . . . . . . . . . 6553 1 246 . 1 1 27 27 LYS CA C 13 58.3580 . . . . . . . . . . . 6553 1 247 . 1 1 27 27 LYS CB C 13 29.8580 . . . . . . . . . . . 6553 1 248 . 1 1 27 27 LYS CG C 13 26.8150 . . . . . . . . . . . 6553 1 249 . 1 1 27 27 LYS CD C 13 28.6900 . . . . . . . . . . . 6553 1 250 . 1 1 27 27 LYS CE C 13 39.7300 . . . . . . . . . . . 6553 1 251 . 1 1 27 27 LYS N N 15 120.7300 . . . . . . . . . . . 6553 1 252 . 1 1 28 28 ASP H H 1 8.1330 . . . . . . . . . . . 6553 1 253 . 1 1 28 28 ASP HA H 1 4.3300 . . . . . . . . . . . 6553 1 254 . 1 1 28 28 ASP HB2 H 1 2.7200 . . . . . . . . . . . 6553 1 255 . 1 1 28 28 ASP HB3 H 1 2.7200 . . . . . . . . . . . 6553 1 256 . 1 1 28 28 ASP CA C 13 55.3640 . . . . . . . . . . . 6553 1 257 . 1 1 28 28 ASP CB C 13 39.3580 . . . . . . . . . . . 6553 1 258 . 1 1 28 28 ASP N N 15 120.8540 . . . . . . . . . . . 6553 1 259 . 1 1 29 29 ALA H H 1 7.9500 . . . . . . . . . . . 6553 1 260 . 1 1 29 29 ALA HA H 1 4.0200 . . . . . . . . . . . 6553 1 261 . 1 1 29 29 ALA HB1 H 1 1.4600 . . . . . . . . . . . 6553 1 262 . 1 1 29 29 ALA HB2 H 1 1.4600 . . . . . . . . . . . 6553 1 263 . 1 1 29 29 ALA HB3 H 1 1.4600 . . . . . . . . . . . 6553 1 264 . 1 1 29 29 ALA CA C 13 52.9890 . . . . . . . . . . . 6553 1 265 . 1 1 29 29 ALA CB C 13 15.6070 . . . . . . . . . . . 6553 1 266 . 1 1 29 29 ALA N N 15 120.9340 . . . . . . . . . . . 6553 1 267 . 1 1 30 30 LEU H H 1 8.3730 . . . . . . . . . . . 6553 1 268 . 1 1 30 30 LEU HA H 1 4.0900 . . . . . . . . . . . 6553 1 269 . 1 1 30 30 LEU HB2 H 1 2.0300 . . . . . . . . . . . 6553 1 270 . 1 1 30 30 LEU HB3 H 1 2.0300 . . . . . . . . . . . 6553 1 271 . 1 1 30 30 LEU HG H 1 1.4600 . . . . . . . . . . . 6553 1 272 . 1 1 30 30 LEU HD11 H 1 0.8900 . . . . . . . . . . . 6553 1 273 . 1 1 30 30 LEU HD12 H 1 0.8900 . . . . . . . . . . . 6553 1 274 . 1 1 30 30 LEU HD13 H 1 0.8900 . . . . . . . . . . . 6553 1 275 . 1 1 30 30 LEU HD21 H 1 0.8100 . . . . . . . . . . . 6553 1 276 . 1 1 30 30 LEU HD22 H 1 0.8100 . . . . . . . . . . . 6553 1 277 . 1 1 30 30 LEU HD23 H 1 0.8100 . . . . . . . . . . . 6553 1 278 . 1 1 30 30 LEU CA C 13 55.5700 . . . . . . . . . . . 6553 1 279 . 1 1 30 30 LEU CB C 13 40.4940 . . . . . . . . . . . 6553 1 280 . 1 1 30 30 LEU CG C 13 25.8000 . . . . . . . . . . . 6553 1 281 . 1 1 30 30 LEU CD1 C 13 21.6600 . . . . . . . . . . . 6553 1 282 . 1 1 30 30 LEU CD2 C 13 20.7200 . . . . . . . . . . . 6553 1 283 . 1 1 30 30 LEU N N 15 118.5070 . . . . . . . . . . . 6553 1 284 . 1 1 31 31 THR H H 1 8.5120 . . . . . . . . . . . 6553 1 285 . 1 1 31 31 THR HA H 1 3.7300 . . . . . . . . . . . 6553 1 286 . 1 1 31 31 THR HB H 1 4.3530 . . . . . . . . . . . 6553 1 287 . 1 1 31 31 THR HG21 H 1 1.2300 . . . . . . . . . . . 6553 1 288 . 1 1 31 31 THR HG22 H 1 1.2300 . . . . . . . . . . . 6553 1 289 . 1 1 31 31 THR HG23 H 1 1.2300 . . . . . . . . . . . 6553 1 290 . 1 1 31 31 THR CA C 13 65.8350 . . . . . . . . . . . 6553 1 291 . 1 1 31 31 THR CB C 13 66.7230 . . . . . . . . . . . 6553 1 292 . 1 1 31 31 THR CG2 C 13 19.7820 . . . . . . . . . . . 6553 1 293 . 1 1 31 31 THR N N 15 116.8770 . . . . . . . . . . . 6553 1 294 . 1 1 32 32 LYS H H 1 8.1250 . . . . . . . . . . . 6553 1 295 . 1 1 32 32 LYS HA H 1 4.0600 . . . . . . . . . . . 6553 1 296 . 1 1 32 32 LYS HB2 H 1 1.8200 . . . . . . . . . . . 6553 1 297 . 1 1 32 32 LYS HB3 H 1 1.7800 . . . . . . . . . . . 6553 1 298 . 1 1 32 32 LYS HG2 H 1 1.3600 . . . . . . . . . . . 6553 1 299 . 1 1 32 32 LYS HD2 H 1 1.5500 . . . . . . . . . . . 6553 1 300 . 1 1 32 32 LYS HE2 H 1 2.9300 . . . . . . . . . . . 6553 1 301 . 1 1 32 32 LYS HZ1 H 1 6.9500 . . . . . . . . . . . 6553 1 302 . 1 1 32 32 LYS HZ2 H 1 6.9500 . . . . . . . . . . . 6553 1 303 . 1 1 32 32 LYS HZ3 H 1 6.9500 . . . . . . . . . . . 6553 1 304 . 1 1 32 32 LYS CA C 13 57.6350 . . . . . . . . . . . 6553 1 305 . 1 1 32 32 LYS CB C 13 30.2710 . . . . . . . . . . . 6553 1 306 . 1 1 32 32 LYS CG C 13 23.5400 . . . . . . . . . . . 6553 1 307 . 1 1 32 32 LYS CD C 13 29.1600 . . . . . . . . . . . 6553 1 308 . 1 1 32 32 LYS CE C 13 40.1200 . . . . . . . . . . . 6553 1 309 . 1 1 32 32 LYS N N 15 123.1180 . . . . . . . . . . . 6553 1 310 . 1 1 33 33 MET H H 1 8.0730 . . . . . . . . . . . 6553 1 311 . 1 1 33 33 MET HA H 1 4.0400 . . . . . . . . . . . 6553 1 312 . 1 1 33 33 MET HB2 H 1 2.0200 . . . . . . . . . . . 6553 1 313 . 1 1 33 33 MET HB3 H 1 2.0200 . . . . . . . . . . . 6553 1 314 . 1 1 33 33 MET HG2 H 1 2.6700 . . . . . . . . . . . 6553 1 315 . 1 1 33 33 MET HE1 H 1 2.2200 . . . . . . . . . . . 6553 1 316 . 1 1 33 33 MET HE2 H 1 2.2200 . . . . . . . . . . . 6553 1 317 . 1 1 33 33 MET HE3 H 1 2.2200 . . . . . . . . . . . 6553 1 318 . 1 1 33 33 MET CA C 13 57.1190 . . . . . . . . . . . 6553 1 319 . 1 1 33 33 MET CB C 13 32.2330 . . . . . . . . . . . 6553 1 320 . 1 1 33 33 MET CG C 13 30.5600 . . . . . . . . . . . 6553 1 321 . 1 1 33 33 MET N N 15 120.4470 . . . . . . . . . . . 6553 1 322 . 1 1 34 34 ARG H H 1 8.4440 . . . . . . . . . . . 6553 1 323 . 1 1 34 34 ARG HA H 1 3.6400 . . . . . . . . . . . 6553 1 324 . 1 1 34 34 ARG HB2 H 1 1.9800 . . . . . . . . . . . 6553 1 325 . 1 1 34 34 ARG HG2 H 1 1.7600 . . . . . . . . . . . 6553 1 326 . 1 1 34 34 ARG HD2 H 1 3.1600 . . . . . . . . . . . 6553 1 327 . 1 1 34 34 ARG HE H 1 9.5800 . . . . . . . . . . . 6553 1 328 . 1 1 34 34 ARG CA C 13 57.6350 . . . . . . . . . . . 6553 1 329 . 1 1 34 34 ARG CB C 13 28.6180 . . . . . . . . . . . 6553 1 330 . 1 1 34 34 ARG CG C 13 24.9400 . . . . . . . . . . . 6553 1 331 . 1 1 34 34 ARG CD C 13 40.8800 . . . . . . . . . . . 6553 1 332 . 1 1 34 34 ARG N N 15 121.3830 . . . . . . . . . . . 6553 1 333 . 1 1 35 35 ALA H H 1 7.5280 . . . . . . . . . . . 6553 1 334 . 1 1 35 35 ALA HA H 1 4.0100 . . . . . . . . . . . 6553 1 335 . 1 1 35 35 ALA HB1 H 1 1.4400 . . . . . . . . . . . 6553 1 336 . 1 1 35 35 ALA HB2 H 1 1.4400 . . . . . . . . . . . 6553 1 337 . 1 1 35 35 ALA HB3 H 1 1.4400 . . . . . . . . . . . 6553 1 338 . 1 1 35 35 ALA CA C 13 52.7820 . . . . . . . . . . . 6553 1 339 . 1 1 35 35 ALA CB C 13 15.7110 . . . . . . . . . . . 6553 1 340 . 1 1 35 35 ALA N N 15 118.9710 . . . . . . . . . . . 6553 1 341 . 1 1 36 36 ALA H H 1 7.8330 . . . . . . . . . . . 6553 1 342 . 1 1 36 36 ALA HA H 1 4.1200 . . . . . . . . . . . 6553 1 343 . 1 1 36 36 ALA HB1 H 1 1.4200 . . . . . . . . . . . 6553 1 344 . 1 1 36 36 ALA HB2 H 1 1.4200 . . . . . . . . . . . 6553 1 345 . 1 1 36 36 ALA HB3 H 1 1.4200 . . . . . . . . . . . 6553 1 346 . 1 1 36 36 ALA CA C 13 52.3690 . . . . . . . . . . . 6553 1 347 . 1 1 36 36 ALA CB C 13 15.7110 . . . . . . . . . . . 6553 1 348 . 1 1 36 36 ALA N N 15 119.0850 . . . . . . . . . . . 6553 1 349 . 1 1 37 37 ALA H H 1 8.2360 . . . . . . . . . . . 6553 1 350 . 1 1 37 37 ALA HA H 1 3.8500 . . . . . . . . . . . 6553 1 351 . 1 1 37 37 ALA HB1 H 1 1.3600 . . . . . . . . . . . 6553 1 352 . 1 1 37 37 ALA HB2 H 1 1.3600 . . . . . . . . . . . 6553 1 353 . 1 1 37 37 ALA HB3 H 1 1.3600 . . . . . . . . . . . 6553 1 354 . 1 1 37 37 ALA CA C 13 52.5760 . . . . . . . . . . . 6553 1 355 . 1 1 37 37 ALA CB C 13 15.4010 . . . . . . . . . . . 6553 1 356 . 1 1 37 37 ALA N N 15 123.7610 . . . . . . . . . . . 6553 1 357 . 1 1 38 38 LEU H H 1 7.7690 . . . . . . . . . . . 6553 1 358 . 1 1 38 38 LEU HA H 1 3.7600 . . . . . . . . . . . 6553 1 359 . 1 1 38 38 LEU HB2 H 1 1.7100 . . . . . . . . . . . 6553 1 360 . 1 1 38 38 LEU HB3 H 1 1.7100 . . . . . . . . . . . 6553 1 361 . 1 1 38 38 LEU HG H 1 1.3300 . . . . . . . . . . . 6553 1 362 . 1 1 38 38 LEU HD11 H 1 0.7600 . . . . . . . . . . . 6553 1 363 . 1 1 38 38 LEU HD12 H 1 0.7600 . . . . . . . . . . . 6553 1 364 . 1 1 38 38 LEU HD13 H 1 0.7600 . . . . . . . . . . . 6553 1 365 . 1 1 38 38 LEU HD21 H 1 0.7600 . . . . . . . . . . . 6553 1 366 . 1 1 38 38 LEU HD22 H 1 0.7600 . . . . . . . . . . . 6553 1 367 . 1 1 38 38 LEU HD23 H 1 0.7600 . . . . . . . . . . . 6553 1 368 . 1 1 38 38 LEU CA C 13 55.3640 . . . . . . . . . . . 6553 1 369 . 1 1 38 38 LEU CB C 13 39.2550 . . . . . . . . . . . 6553 1 370 . 1 1 38 38 LEU CG C 13 23.0600 . . . . . . . . . . . 6553 1 371 . 1 1 38 38 LEU CD1 C 13 22.0000 . . . . . . . . . . . 6553 1 372 . 1 1 38 38 LEU CD2 C 13 20.5000 . . . . . . . . . . . 6553 1 373 . 1 1 38 38 LEU N N 15 116.9240 . . . . . . . . . . . 6553 1 374 . 1 1 39 39 ASP H H 1 7.7090 . . . . . . . . . . . 6553 1 375 . 1 1 39 39 ASP HA H 1 4.3100 . . . . . . . . . . . 6553 1 376 . 1 1 39 39 ASP HB2 H 1 2.6100 . . . . . . . . . . . 6553 1 377 . 1 1 39 39 ASP HB3 H 1 2.5100 . . . . . . . . . . . 6553 1 378 . 1 1 39 39 ASP CA C 13 54.8470 . . . . . . . . . . . 6553 1 379 . 1 1 39 39 ASP CB C 13 38.1190 . . . . . . . . . . . 6553 1 380 . 1 1 39 39 ASP N N 15 118.6880 . . . . . . . . . . . 6553 1 381 . 1 1 40 40 ALA H H 1 7.6780 . . . . . . . . . . . 6553 1 382 . 1 1 40 40 ALA HA H 1 3.9800 . . . . . . . . . . . 6553 1 383 . 1 1 40 40 ALA HB1 H 1 1.2400 . . . . . . . . . . . 6553 1 384 . 1 1 40 40 ALA HB2 H 1 1.2400 . . . . . . . . . . . 6553 1 385 . 1 1 40 40 ALA HB3 H 1 1.2400 . . . . . . . . . . . 6553 1 386 . 1 1 40 40 ALA CA C 13 52.4720 . . . . . . . . . . . 6553 1 387 . 1 1 40 40 ALA CB C 13 16.7430 . . . . . . . . . . . 6553 1 388 . 1 1 40 40 ALA N N 15 123.5670 . . . . . . . . . . . 6553 1 389 . 1 1 41 41 GLN H H 1 7.4300 . . . . . . . . . . . 6553 1 390 . 1 1 41 41 GLN HA H 1 3.5100 . . . . . . . . . . . 6553 1 391 . 1 1 41 41 GLN HB2 H 1 1.9700 . . . . . . . . . . . 6553 1 392 . 1 1 41 41 GLN HB3 H 1 1.3900 . . . . . . . . . . . 6553 1 393 . 1 1 41 41 GLN HG2 H 1 2.2800 . . . . . . . . . . . 6553 1 394 . 1 1 41 41 GLN HG3 H 1 2.1400 . . . . . . . . . . . 6553 1 395 . 1 1 41 41 GLN HE21 H 1 7.3420 . . . . . . . . . . . 6553 1 396 . 1 1 41 41 GLN HE22 H 1 6.7700 . . . . . . . . . . . 6553 1 397 . 1 1 41 41 GLN CA C 13 55.3640 . . . . . . . . . . . 6553 1 398 . 1 1 41 41 GLN CB C 13 26.8630 . . . . . . . . . . . 6553 1 399 . 1 1 41 41 GLN CG C 13 32.4400 . . . . . . . . . . . 6553 1 400 . 1 1 41 41 GLN N N 15 115.3570 . . . . . . . . . . . 6553 1 401 . 1 1 41 41 GLN NE2 N 15 111.6120 . . . . . . . . . . . 6553 1 402 . 1 1 42 42 LYS H H 1 6.9850 . . . . . . . . . . . 6553 1 403 . 1 1 42 42 LYS HA H 1 4.2100 . . . . . . . . . . . 6553 1 404 . 1 1 42 42 LYS HB2 H 1 1.8700 . . . . . . . . . . . 6553 1 405 . 1 1 42 42 LYS HB3 H 1 1.7200 . . . . . . . . . . . 6553 1 406 . 1 1 42 42 LYS HG2 H 1 1.3500 . . . . . . . . . . . 6553 1 407 . 1 1 42 42 LYS HD2 H 1 1.5100 . . . . . . . . . . . 6553 1 408 . 1 1 42 42 LYS HE2 H 1 2.9400 . . . . . . . . . . . 6553 1 409 . 1 1 42 42 LYS CA C 13 53.5750 . . . . . . . . . . . 6553 1 410 . 1 1 42 42 LYS CB C 13 30.9940 . . . . . . . . . . . 6553 1 411 . 1 1 42 42 LYS CG C 13 22.2500 . . . . . . . . . . . 6553 1 412 . 1 1 42 42 LYS CD C 13 27.7500 . . . . . . . . . . . 6553 1 413 . 1 1 42 42 LYS CE C 13 40.5200 . . . . . . . . . . . 6553 1 414 . 1 1 42 42 LYS N N 15 113.5750 . . . . . . . . . . . 6553 1 415 . 1 1 43 43 ALA H H 1 7.2920 . . . . . . . . . . . 6553 1 416 . 1 1 43 43 ALA HA H 1 4.4300 . . . . . . . . . . . 6553 1 417 . 1 1 43 43 ALA HB1 H 1 1.3600 . . . . . . . . . . . 6553 1 418 . 1 1 43 43 ALA HB2 H 1 1.3600 . . . . . . . . . . . 6553 1 419 . 1 1 43 43 ALA HB3 H 1 1.3600 . . . . . . . . . . . 6553 1 420 . 1 1 43 43 ALA CA C 13 48.6520 . . . . . . . . . . . 6553 1 421 . 1 1 43 43 ALA CB C 13 18.0860 . . . . . . . . . . . 6553 1 422 . 1 1 43 43 ALA N N 15 123.9350 . . . . . . . . . . . 6553 1 423 . 1 1 44 44 THR H H 1 8.1430 . . . . . . . . . . . 6553 1 424 . 1 1 44 44 THR HA H 1 3.8800 . . . . . . . . . . . 6553 1 425 . 1 1 44 44 THR HB H 1 4.3700 . . . . . . . . . . . 6553 1 426 . 1 1 44 44 THR HG21 H 1 1.0100 . . . . . . . . . . . 6553 1 427 . 1 1 44 44 THR HG22 H 1 1.0100 . . . . . . . . . . . 6553 1 428 . 1 1 44 44 THR HG23 H 1 1.0100 . . . . . . . . . . . 6553 1 429 . 1 1 44 44 THR CA C 13 57.6370 . . . . . . . . . . . 6553 1 430 . 1 1 44 44 THR CB C 13 67.4450 . . . . . . . . . . . 6553 1 431 . 1 1 44 44 THR CG2 C 13 18.8400 . . . . . . . . . . . 6553 1 432 . 1 1 44 44 THR N N 15 115.5940 . . . . . . . . . . . 6553 1 433 . 1 1 45 45 PRO HA H 1 4.3400 . . . . . . . . . . . 6553 1 434 . 1 1 45 45 PRO HB2 H 1 2.2600 . . . . . . . . . . . 6553 1 435 . 1 1 45 45 PRO HB3 H 1 1.8100 . . . . . . . . . . . 6553 1 436 . 1 1 45 45 PRO HG2 H 1 2.0400 . . . . . . . . . . . 6553 1 437 . 1 1 45 45 PRO HG3 H 1 1.9500 . . . . . . . . . . . 6553 1 438 . 1 1 45 45 PRO HD2 H 1 3.7800 . . . . . . . . . . . 6553 1 439 . 1 1 45 45 PRO HD3 H 1 3.6600 . . . . . . . . . . . 6553 1 440 . 1 1 45 45 PRO CA C 13 63.2000 . . . . . . . . . . . 6553 1 441 . 1 1 45 45 PRO CB C 13 30.1000 . . . . . . . . . . . 6553 1 442 . 1 1 45 45 PRO CG C 13 26.4000 . . . . . . . . . . . 6553 1 443 . 1 1 45 45 PRO CD C 13 48.1000 . . . . . . . . . . . 6553 1 444 . 1 1 46 46 PRO HA H 1 4.1800 . . . . . . . . . . . 6553 1 445 . 1 1 46 46 PRO HB2 H 1 2.3500 . . . . . . . . . . . 6553 1 446 . 1 1 46 46 PRO HB3 H 1 2.3500 . . . . . . . . . . . 6553 1 447 . 1 1 46 46 PRO HG2 H 1 2.0400 . . . . . . . . . . . 6553 1 448 . 1 1 46 46 PRO HG3 H 1 1.9100 . . . . . . . . . . . 6553 1 449 . 1 1 46 46 PRO HD2 H 1 3.8700 . . . . . . . . . . . 6553 1 450 . 1 1 46 46 PRO CA C 13 63.7280 . . . . . . . . . . . 6553 1 451 . 1 1 46 46 PRO CB C 13 30.4770 . . . . . . . . . . . 6553 1 452 . 1 1 46 46 PRO CG C 13 26.3400 . . . . . . . . . . . 6553 1 453 . 1 1 46 46 PRO CD C 13 48.8400 . . . . . . . . . . . 6553 1 454 . 1 1 47 47 LYS H H 1 8.2250 . . . . . . . . . . . 6553 1 455 . 1 1 47 47 LYS HA H 1 4.0800 . . . . . . . . . . . 6553 1 456 . 1 1 47 47 LYS HB2 H 1 1.7200 . . . . . . . . . . . 6553 1 457 . 1 1 47 47 LYS HG2 H 1 1.2900 . . . . . . . . . . . 6553 1 458 . 1 1 47 47 LYS HD2 H 1 1.7610 . . . . . . . . . . . 6553 1 459 . 1 1 47 47 LYS HE2 H 1 2.9100 . . . . . . . . . . . 6553 1 460 . 1 1 47 47 LYS CA C 13 57.0300 . . . . . . . . . . . 6553 1 461 . 1 1 47 47 LYS CB C 13 30.7870 . . . . . . . . . . . 6553 1 462 . 1 1 47 47 LYS CG C 13 22.2500 . . . . . . . . . . . 6553 1 463 . 1 1 47 47 LYS CD C 13 26.3400 . . . . . . . . . . . 6553 1 464 . 1 1 47 47 LYS CE C 13 40.5200 . . . . . . . . . . . 6553 1 465 . 1 1 47 47 LYS N N 15 113.0190 . . . . . . . . . . . 6553 1 466 . 1 1 48 48 LEU H H 1 7.7900 . . . . . . . . . . . 6553 1 467 . 1 1 48 48 LEU HA H 1 4.5100 . . . . . . . . . . . 6553 1 468 . 1 1 48 48 LEU HB2 H 1 1.6100 . . . . . . . . . . . 6553 1 469 . 1 1 48 48 LEU HG H 1 1.2500 . . . . . . . . . . . 6553 1 470 . 1 1 48 48 LEU HD11 H 1 0.7500 . . . . . . . . . . . 6553 1 471 . 1 1 48 48 LEU HD12 H 1 0.7500 . . . . . . . . . . . 6553 1 472 . 1 1 48 48 LEU HD13 H 1 0.7500 . . . . . . . . . . . 6553 1 473 . 1 1 48 48 LEU HD21 H 1 0.5200 . . . . . . . . . . . 6553 1 474 . 1 1 48 48 LEU HD22 H 1 0.5200 . . . . . . . . . . . 6553 1 475 . 1 1 48 48 LEU HD23 H 1 0.5200 . . . . . . . . . . . 6553 1 476 . 1 1 48 48 LEU CA C 13 50.7170 . . . . . . . . . . . 6553 1 477 . 1 1 48 48 LEU CB C 13 39.6680 . . . . . . . . . . . 6553 1 478 . 1 1 48 48 LEU CD1 C 13 21.2000 . . . . . . . . . . . 6553 1 479 . 1 1 48 48 LEU CD2 C 13 20.9200 . . . . . . . . . . . 6553 1 480 . 1 1 48 48 LEU N N 15 115.8140 . . . . . . . . . . . 6553 1 481 . 1 1 49 49 GLU H H 1 7.1010 . . . . . . . . . . . 6553 1 482 . 1 1 49 49 GLU HA H 1 3.7700 . . . . . . . . . . . 6553 1 483 . 1 1 49 49 GLU HB2 H 1 1.9900 . . . . . . . . . . . 6553 1 484 . 1 1 49 49 GLU HB3 H 1 1.9900 . . . . . . . . . . . 6553 1 485 . 1 1 49 49 GLU HG2 H 1 2.3200 . . . . . . . . . . . 6553 1 486 . 1 1 49 49 GLU HG3 H 1 2.3200 . . . . . . . . . . . 6553 1 487 . 1 1 49 49 GLU CA C 13 56.6030 . . . . . . . . . . . 6553 1 488 . 1 1 49 49 GLU CB C 13 26.9660 . . . . . . . . . . . 6553 1 489 . 1 1 49 49 GLU CG C 13 31.9700 . . . . . . . . . . . 6553 1 490 . 1 1 49 49 GLU N N 15 118.3660 . . . . . . . . . . . 6553 1 491 . 1 1 50 50 ASP H H 1 8.4220 . . . . . . . . . . . 6553 1 492 . 1 1 50 50 ASP HA H 1 4.5500 . . . . . . . . . . . 6553 1 493 . 1 1 50 50 ASP HB2 H 1 2.6900 . . . . . . . . . . . 6553 1 494 . 1 1 50 50 ASP HB3 H 1 2.6900 . . . . . . . . . . . 6553 1 495 . 1 1 50 50 ASP CA C 13 51.1330 . . . . . . . . . . . 6553 1 496 . 1 1 50 50 ASP CB C 13 37.7060 . . . . . . . . . . . 6553 1 497 . 1 1 50 50 ASP N N 15 115.4600 . . . . . . . . . . . 6553 1 498 . 1 1 51 51 LYS H H 1 7.6680 . . . . . . . . . . . 6553 1 499 . 1 1 51 51 LYS HA H 1 4.5300 . . . . . . . . . . . 6553 1 500 . 1 1 51 51 LYS HB2 H 1 1.9200 . . . . . . . . . . . 6553 1 501 . 1 1 51 51 LYS HB3 H 1 1.9200 . . . . . . . . . . . 6553 1 502 . 1 1 51 51 LYS HG2 H 1 1.3400 . . . . . . . . . . . 6553 1 503 . 1 1 51 51 LYS HG3 H 1 1.2900 . . . . . . . . . . . 6553 1 504 . 1 1 51 51 LYS HD2 H 1 1.5800 . . . . . . . . . . . 6553 1 505 . 1 1 51 51 LYS HD3 H 1 1.5800 . . . . . . . . . . . 6553 1 506 . 1 1 51 51 LYS HE2 H 1 2.9100 . . . . . . . . . . . 6553 1 507 . 1 1 51 51 LYS CA C 13 51.1300 . . . . . . . . . . . 6553 1 508 . 1 1 51 51 LYS CB C 13 30.6840 . . . . . . . . . . . 6553 1 509 . 1 1 51 51 LYS CG C 13 22.5900 . . . . . . . . . . . 6553 1 510 . 1 1 51 51 LYS CD C 13 28.2200 . . . . . . . . . . . 6553 1 511 . 1 1 51 51 LYS CE C 13 40.2200 . . . . . . . . . . . 6553 1 512 . 1 1 51 51 LYS N N 15 119.2590 . . . . . . . . . . . 6553 1 513 . 1 1 52 52 SER H H 1 8.7440 . . . . . . . . . . . 6553 1 514 . 1 1 52 52 SER HA H 1 4.7100 . . . . . . . . . . . 6553 1 515 . 1 1 52 52 SER HB2 H 1 4.1300 . . . . . . . . . . . 6553 1 516 . 1 1 52 52 SER HB3 H 1 3.9100 . . . . . . . . . . . 6553 1 517 . 1 1 52 52 SER CA C 13 54.5380 . . . . . . . . . . . 6553 1 518 . 1 1 52 52 SER CB C 13 60.5270 . . . . . . . . . . . 6553 1 519 . 1 1 52 52 SER N N 15 117.0320 . . . . . . . . . . . 6553 1 520 . 1 1 53 53 PRO HA H 1 4.1800 . . . . . . . . . . . 6553 1 521 . 1 1 53 53 PRO HB2 H 1 2.3500 . . . . . . . . . . . 6553 1 522 . 1 1 53 53 PRO HB3 H 1 2.1900 . . . . . . . . . . . 6553 1 523 . 1 1 53 53 PRO HG2 H 1 2.0200 . . . . . . . . . . . 6553 1 524 . 1 1 53 53 PRO HG3 H 1 1.9100 . . . . . . . . . . . 6553 1 525 . 1 1 53 53 PRO HD2 H 1 3.8200 . . . . . . . . . . . 6553 1 526 . 1 1 53 53 PRO CA C 13 63.3150 . . . . . . . . . . . 6553 1 527 . 1 1 53 53 PRO CB C 13 29.6510 . . . . . . . . . . . 6553 1 528 . 1 1 53 53 PRO CG C 13 26.8100 . . . . . . . . . . . 6553 1 529 . 1 1 53 53 PRO CD C 13 49.0100 . . . . . . . . . . . 6553 1 530 . 1 1 54 54 ASP H H 1 7.8900 . . . . . . . . . . . 6553 1 531 . 1 1 54 54 ASP HA H 1 4.6900 . . . . . . . . . . . 6553 1 532 . 1 1 54 54 ASP HB2 H 1 2.6500 . . . . . . . . . . . 6553 1 533 . 1 1 54 54 ASP HB3 H 1 2.5700 . . . . . . . . . . . 6553 1 534 . 1 1 54 54 ASP CA C 13 50.7170 . . . . . . . . . . . 6553 1 535 . 1 1 54 54 ASP CB C 13 38.5320 . . . . . . . . . . . 6553 1 536 . 1 1 54 54 ASP N N 15 113.1850 . . . . . . . . . . . 6553 1 537 . 1 1 55 55 SER H H 1 7.7480 . . . . . . . . . . . 6553 1 538 . 1 1 55 55 SER HA H 1 4.5100 . . . . . . . . . . . 6553 1 539 . 1 1 55 55 SER HB2 H 1 4.2500 . . . . . . . . . . . 6553 1 540 . 1 1 55 55 SER HB3 H 1 3.8800 . . . . . . . . . . . 6553 1 541 . 1 1 55 55 SER CA C 13 54.9510 . . . . . . . . . . . 6553 1 542 . 1 1 55 55 SER CB C 13 61.1460 . . . . . . . . . . . 6553 1 543 . 1 1 55 55 SER N N 15 116.3260 . . . . . . . . . . . 6553 1 544 . 1 1 56 56 PRO HA H 1 4.1900 . . . . . . . . . . . 6553 1 545 . 1 1 56 56 PRO HB2 H 1 2.3500 . . . . . . . . . . . 6553 1 546 . 1 1 56 56 PRO HB3 H 1 2.1900 . . . . . . . . . . . 6553 1 547 . 1 1 56 56 PRO HG2 H 1 2.0200 . . . . . . . . . . . 6553 1 548 . 1 1 56 56 PRO HG3 H 1 1.9100 . . . . . . . . . . . 6553 1 549 . 1 1 56 56 PRO HD2 H 1 3.8200 . . . . . . . . . . . 6553 1 550 . 1 1 56 56 PRO CA C 13 63.1080 . . . . . . . . . . . 6553 1 551 . 1 1 56 56 PRO CB C 13 29.4500 . . . . . . . . . . . 6553 1 552 . 1 1 56 56 PRO CG C 13 26.9900 . . . . . . . . . . . 6553 1 553 . 1 1 56 56 PRO CD C 13 48.9000 . . . . . . . . . . . 6553 1 554 . 1 1 57 57 GLU H H 1 9.6520 . . . . . . . . . . . 6553 1 555 . 1 1 57 57 GLU HA H 1 4.1200 . . . . . . . . . . . 6553 1 556 . 1 1 57 57 GLU HB2 H 1 2.1300 . . . . . . . . . . . 6553 1 557 . 1 1 57 57 GLU HB3 H 1 1.9500 . . . . . . . . . . . 6553 1 558 . 1 1 57 57 GLU HG2 H 1 2.3600 . . . . . . . . . . . 6553 1 559 . 1 1 57 57 GLU HG3 H 1 2.3600 . . . . . . . . . . . 6553 1 560 . 1 1 57 57 GLU CA C 13 58.6680 . . . . . . . . . . . 6553 1 561 . 1 1 57 57 GLU CB C 13 26.8630 . . . . . . . . . . . 6553 1 562 . 1 1 57 57 GLU CG C 13 32.8000 . . . . . . . . . . . 6553 1 563 . 1 1 57 57 GLU N N 15 116.1330 . . . . . . . . . . . 6553 1 564 . 1 1 58 58 MET H H 1 7.7450 . . . . . . . . . . . 6553 1 565 . 1 1 58 58 MET HA H 1 4.6300 . . . . . . . . . . . 6553 1 566 . 1 1 58 58 MET HB2 H 1 2.1200 . . . . . . . . . . . 6553 1 567 . 1 1 58 58 MET HB3 H 1 1.9100 . . . . . . . . . . . 6553 1 568 . 1 1 58 58 MET HG2 H 1 2.7400 . . . . . . . . . . . 6553 1 569 . 1 1 58 58 MET HG3 H 1 2.5400 . . . . . . . . . . . 6553 1 570 . 1 1 58 58 MET HE1 H 1 2.1700 . . . . . . . . . . . 6553 1 571 . 1 1 58 58 MET HE2 H 1 2.1700 . . . . . . . . . . . 6553 1 572 . 1 1 58 58 MET HE3 H 1 2.1700 . . . . . . . . . . . 6553 1 573 . 1 1 58 58 MET CA C 13 54.2280 . . . . . . . . . . . 6553 1 574 . 1 1 58 58 MET CB C 13 28.6180 . . . . . . . . . . . 6553 1 575 . 1 1 58 58 MET CG C 13 30.5000 . . . . . . . . . . . 6553 1 576 . 1 1 58 58 MET N N 15 120.2260 . . . . . . . . . . . 6553 1 577 . 1 1 59 59 LYS H H 1 8.4590 . . . . . . . . . . . 6553 1 578 . 1 1 59 59 LYS HA H 1 3.9500 . . . . . . . . . . . 6553 1 579 . 1 1 59 59 LYS HB2 H 1 1.8300 . . . . . . . . . . . 6553 1 580 . 1 1 59 59 LYS HB3 H 1 1.7800 . . . . . . . . . . . 6553 1 581 . 1 1 59 59 LYS HG2 H 1 1.3800 . . . . . . . . . . . 6553 1 582 . 1 1 59 59 LYS HD2 H 1 1.5400 . . . . . . . . . . . 6553 1 583 . 1 1 59 59 LYS HD3 H 1 1.5000 . . . . . . . . . . . 6553 1 584 . 1 1 59 59 LYS HE2 H 1 2.9300 . . . . . . . . . . . 6553 1 585 . 1 1 59 59 LYS CA C 13 58.1520 . . . . . . . . . . . 6553 1 586 . 1 1 59 59 LYS CB C 13 29.8580 . . . . . . . . . . . 6553 1 587 . 1 1 59 59 LYS CG C 13 23.5300 . . . . . . . . . . . 6553 1 588 . 1 1 59 59 LYS CD C 13 27.2700 . . . . . . . . . . . 6553 1 589 . 1 1 59 59 LYS CE C 13 40.1200 . . . . . . . . . . . 6553 1 590 . 1 1 59 59 LYS N N 15 120.9520 . . . . . . . . . . . 6553 1 591 . 1 1 60 60 ASP H H 1 8.5020 . . . . . . . . . . . 6553 1 592 . 1 1 60 60 ASP HA H 1 4.5100 . . . . . . . . . . . 6553 1 593 . 1 1 60 60 ASP HB2 H 1 2.7900 . . . . . . . . . . . 6553 1 594 . 1 1 60 60 ASP HB3 H 1 2.6700 . . . . . . . . . . . 6553 1 595 . 1 1 60 60 ASP CA C 13 55.2600 . . . . . . . . . . . 6553 1 596 . 1 1 60 60 ASP CB C 13 38.6340 . . . . . . . . . . . 6553 1 597 . 1 1 60 60 ASP N N 15 120.6210 . . . . . . . . . . . 6553 1 598 . 1 1 61 61 PHE H H 1 7.9700 . . . . . . . . . . . 6553 1 599 . 1 1 61 61 PHE HA H 1 4.2500 . . . . . . . . . . . 6553 1 600 . 1 1 61 61 PHE HB2 H 1 3.1600 . . . . . . . . . . . 6553 1 601 . 1 1 61 61 PHE HB3 H 1 3.0700 . . . . . . . . . . . 6553 1 602 . 1 1 61 61 PHE HD1 H 1 6.2800 . . . . . . . . . . . 6553 1 603 . 1 1 61 61 PHE HE1 H 1 7.3600 . . . . . . . . . . . 6553 1 604 . 1 1 61 61 PHE HZ H 1 6.1800 . . . . . . . . . . . 6553 1 605 . 1 1 61 61 PHE CA C 13 57.5390 . . . . . . . . . . . 6553 1 606 . 1 1 61 61 PHE CB C 13 37.0860 . . . . . . . . . . . 6553 1 607 . 1 1 61 61 PHE N N 15 121.3320 . . . . . . . . . . . 6553 1 608 . 1 1 62 62 ARG H H 1 8.5800 . . . . . . . . . . . 6553 1 609 . 1 1 62 62 ARG HA H 1 3.7500 . . . . . . . . . . . 6553 1 610 . 1 1 62 62 ARG HB2 H 1 1.9600 . . . . . . . . . . . 6553 1 611 . 1 1 62 62 ARG HB3 H 1 1.9600 . . . . . . . . . . . 6553 1 612 . 1 1 62 62 ARG HG2 H 1 1.8300 . . . . . . . . . . . 6553 1 613 . 1 1 62 62 ARG HG3 H 1 1.8300 . . . . . . . . . . . 6553 1 614 . 1 1 62 62 ARG HD2 H 1 3.3700 . . . . . . . . . . . 6553 1 615 . 1 1 62 62 ARG HD3 H 1 3.2070 . . . . . . . . . . . 6553 1 616 . 1 1 62 62 ARG CA C 13 59.0810 . . . . . . . . . . . 6553 1 617 . 1 1 62 62 ARG CB C 13 27.9990 . . . . . . . . . . . 6553 1 618 . 1 1 62 62 ARG CG C 13 26.9800 . . . . . . . . . . . 6553 1 619 . 1 1 62 62 ARG CD C 13 42.2800 . . . . . . . . . . . 6553 1 620 . 1 1 62 62 ARG N N 15 118.3850 . . . . . . . . . . . 6553 1 621 . 1 1 63 63 HIS H H 1 8.7490 . . . . . . . . . . . 6553 1 622 . 1 1 63 63 HIS HA H 1 4.5500 . . . . . . . . . . . 6553 1 623 . 1 1 63 63 HIS HB2 H 1 3.4300 . . . . . . . . . . . 6553 1 624 . 1 1 63 63 HIS HB3 H 1 3.3900 . . . . . . . . . . . 6553 1 625 . 1 1 63 63 HIS CA C 13 56.1900 . . . . . . . . . . . 6553 1 626 . 1 1 63 63 HIS CB C 13 25.9340 . . . . . . . . . . . 6553 1 627 . 1 1 63 63 HIS N N 15 119.5200 . . . . . . . . . . . 6553 1 628 . 1 1 64 64 GLY H H 1 8.2110 . . . . . . . . . . . 6553 1 629 . 1 1 64 64 GLY HA2 H 1 4.0100 . . . . . . . . . . . 6553 1 630 . 1 1 64 64 GLY HA3 H 1 3.4800 . . . . . . . . . . . 6553 1 631 . 1 1 64 64 GLY CA C 13 44.8310 . . . . . . . . . . . 6553 1 632 . 1 1 64 64 GLY N N 15 105.9150 . . . . . . . . . . . 6553 1 633 . 1 1 65 65 PHE H H 1 6.8780 . . . . . . . . . . . 6553 1 634 . 1 1 65 65 PHE HA H 1 4.0500 . . . . . . . . . . . 6553 1 635 . 1 1 65 65 PHE HB2 H 1 2.7700 . . . . . . . . . . . 6553 1 636 . 1 1 65 65 PHE HB3 H 1 2.5400 . . . . . . . . . . . 6553 1 637 . 1 1 65 65 PHE HD1 H 1 6.7700 . . . . . . . . . . . 6553 1 638 . 1 1 65 65 PHE HE1 H 1 7.0900 . . . . . . . . . . . 6553 1 639 . 1 1 65 65 PHE HZ H 1 6.5340 . . . . . . . . . . . 6553 1 640 . 1 1 65 65 PHE CA C 13 60.0110 . . . . . . . . . . . 6553 1 641 . 1 1 65 65 PHE CB C 13 37.4990 . . . . . . . . . . . 6553 1 642 . 1 1 65 65 PHE N N 15 117.8250 . . . . . . . . . . . 6553 1 643 . 1 1 66 66 ASP H H 1 7.5500 . . . . . . . . . . . 6553 1 644 . 1 1 66 66 ASP HA H 1 4.3700 . . . . . . . . . . . 6553 1 645 . 1 1 66 66 ASP HB2 H 1 2.8100 . . . . . . . . . . . 6553 1 646 . 1 1 66 66 ASP HB3 H 1 2.5700 . . . . . . . . . . . 6553 1 647 . 1 1 66 66 ASP CA C 13 55.6730 . . . . . . . . . . . 6553 1 648 . 1 1 66 66 ASP CB C 13 37.4990 . . . . . . . . . . . 6553 1 649 . 1 1 66 66 ASP N N 15 120.8930 . . . . . . . . . . . 6553 1 650 . 1 1 67 67 ILE H H 1 7.3070 . . . . . . . . . . . 6553 1 651 . 1 1 67 67 ILE HA H 1 3.5700 . . . . . . . . . . . 6553 1 652 . 1 1 67 67 ILE HB H 1 1.7500 . . . . . . . . . . . 6553 1 653 . 1 1 67 67 ILE HG12 H 1 1.1300 . . . . . . . . . . . 6553 1 654 . 1 1 67 67 ILE HG13 H 1 0.9000 . . . . . . . . . . . 6553 1 655 . 1 1 67 67 ILE HG21 H 1 0.6900 . . . . . . . . . . . 6553 1 656 . 1 1 67 67 ILE HG22 H 1 0.6900 . . . . . . . . . . . 6553 1 657 . 1 1 67 67 ILE HG23 H 1 0.6900 . . . . . . . . . . . 6553 1 658 . 1 1 67 67 ILE HD11 H 1 0.6000 . . . . . . . . . . . 6553 1 659 . 1 1 67 67 ILE HD12 H 1 0.6000 . . . . . . . . . . . 6553 1 660 . 1 1 67 67 ILE HD13 H 1 0.6000 . . . . . . . . . . . 6553 1 661 . 1 1 67 67 ILE CA C 13 61.2500 . . . . . . . . . . . 6553 1 662 . 1 1 67 67 ILE CB C 13 34.8140 . . . . . . . . . . . 6553 1 663 . 1 1 67 67 ILE CG1 C 13 25.1000 . . . . . . . . . . . 6553 1 664 . 1 1 67 67 ILE CG2 C 13 14.6200 . . . . . . . . . . . 6553 1 665 . 1 1 67 67 ILE CD1 C 13 9.2700 . . . . . . . . . . . 6553 1 666 . 1 1 67 67 ILE N N 15 119.9050 . . . . . . . . . . . 6553 1 667 . 1 1 68 68 LEU H H 1 7.1390 . . . . . . . . . . . 6553 1 668 . 1 1 68 68 LEU HA H 1 3.9800 . . . . . . . . . . . 6553 1 669 . 1 1 68 68 LEU HB2 H 1 1.7500 . . . . . . . . . . . 6553 1 670 . 1 1 68 68 LEU HB3 H 1 1.7500 . . . . . . . . . . . 6553 1 671 . 1 1 68 68 LEU HG H 1 1.3300 . . . . . . . . . . . 6553 1 672 . 1 1 68 68 LEU HD11 H 1 0.6100 . . . . . . . . . . . 6553 1 673 . 1 1 68 68 LEU HD12 H 1 0.6100 . . . . . . . . . . . 6553 1 674 . 1 1 68 68 LEU HD13 H 1 0.6100 . . . . . . . . . . . 6553 1 675 . 1 1 68 68 LEU HD21 H 1 0.1200 . . . . . . . . . . . 6553 1 676 . 1 1 68 68 LEU HD22 H 1 0.1200 . . . . . . . . . . . 6553 1 677 . 1 1 68 68 LEU HD23 H 1 0.1200 . . . . . . . . . . . 6553 1 678 . 1 1 68 68 LEU CA C 13 55.7770 . . . . . . . . . . . 6553 1 679 . 1 1 68 68 LEU CB C 13 39.5640 . . . . . . . . . . . 6553 1 680 . 1 1 68 68 LEU CG C 13 23.5300 . . . . . . . . . . . 6553 1 681 . 1 1 68 68 LEU CD1 C 13 20.7200 . . . . . . . . . . . 6553 1 682 . 1 1 68 68 LEU CD2 C 13 22.5900 . . . . . . . . . . . 6553 1 683 . 1 1 68 68 LEU N N 15 120.9810 . . . . . . . . . . . 6553 1 684 . 1 1 69 69 VAL H H 1 8.7900 . . . . . . . . . . . 6553 1 685 . 1 1 69 69 VAL HA H 1 3.4300 . . . . . . . . . . . 6553 1 686 . 1 1 69 69 VAL HB H 1 2.0900 . . . . . . . . . . . 6553 1 687 . 1 1 69 69 VAL HG11 H 1 0.9200 . . . . . . . . . . . 6553 1 688 . 1 1 69 69 VAL HG12 H 1 0.9200 . . . . . . . . . . . 6553 1 689 . 1 1 69 69 VAL HG13 H 1 0.9200 . . . . . . . . . . . 6553 1 690 . 1 1 69 69 VAL HG21 H 1 0.8400 . . . . . . . . . . . 6553 1 691 . 1 1 69 69 VAL HG22 H 1 0.8400 . . . . . . . . . . . 6553 1 692 . 1 1 69 69 VAL HG23 H 1 0.8400 . . . . . . . . . . . 6553 1 693 . 1 1 69 69 VAL CA C 13 65.2770 . . . . . . . . . . . 6553 1 694 . 1 1 69 69 VAL CB C 13 29.0320 . . . . . . . . . . . 6553 1 695 . 1 1 69 69 VAL CG1 C 13 22.1200 . . . . . . . . . . . 6553 1 696 . 1 1 69 69 VAL CG2 C 13 18.7100 . . . . . . . . . . . 6553 1 697 . 1 1 69 69 VAL N N 15 119.5790 . . . . . . . . . . . 6553 1 698 . 1 1 70 70 GLY H H 1 7.7860 . . . . . . . . . . . 6553 1 699 . 1 1 70 70 GLY HA2 H 1 3.8500 . . . . . . . . . . . 6553 1 700 . 1 1 70 70 GLY HA3 H 1 3.8500 . . . . . . . . . . . 6553 1 701 . 1 1 70 70 GLY CA C 13 45.2440 . . . . . . . . . . . 6553 1 702 . 1 1 70 70 GLY N N 15 106.0400 . . . . . . . . . . . 6553 1 703 . 1 1 71 71 GLN H H 1 7.6140 . . . . . . . . . . . 6553 1 704 . 1 1 71 71 GLN HA H 1 4.1700 . . . . . . . . . . . 6553 1 705 . 1 1 71 71 GLN HB2 H 1 2.0300 . . . . . . . . . . . 6553 1 706 . 1 1 71 71 GLN HB3 H 1 2.0300 . . . . . . . . . . . 6553 1 707 . 1 1 71 71 GLN HG2 H 1 2.4600 . . . . . . . . . . . 6553 1 708 . 1 1 71 71 GLN HG3 H 1 2.3600 . . . . . . . . . . . 6553 1 709 . 1 1 71 71 GLN HE21 H 1 7.0280 . . . . . . . . . . . 6553 1 710 . 1 1 71 71 GLN HE22 H 1 6.3760 . . . . . . . . . . . 6553 1 711 . 1 1 71 71 GLN CA C 13 56.7060 . . . . . . . . . . . 6553 1 712 . 1 1 71 71 GLN CB C 13 26.6560 . . . . . . . . . . . 6553 1 713 . 1 1 71 71 GLN CG C 13 32.2000 . . . . . . . . . . . 6553 1 714 . 1 1 71 71 GLN N N 15 120.5840 . . . . . . . . . . . 6553 1 715 . 1 1 71 71 GLN NE2 N 15 108.3020 . . . . . . . . . . . 6553 1 716 . 1 1 72 72 ILE H H 1 8.5470 . . . . . . . . . . . 6553 1 717 . 1 1 72 72 ILE HA H 1 3.5100 . . . . . . . . . . . 6553 1 718 . 1 1 72 72 ILE HB H 1 2.0700 . . . . . . . . . . . 6553 1 719 . 1 1 72 72 ILE HG12 H 1 0.9100 . . . . . . . . . . . 6553 1 720 . 1 1 72 72 ILE HG21 H 1 0.8300 . . . . . . . . . . . 6553 1 721 . 1 1 72 72 ILE HG22 H 1 0.8300 . . . . . . . . . . . 6553 1 722 . 1 1 72 72 ILE HG23 H 1 0.8300 . . . . . . . . . . . 6553 1 723 . 1 1 72 72 ILE HD11 H 1 0.6700 . . . . . . . . . . . 6553 1 724 . 1 1 72 72 ILE HD12 H 1 0.6700 . . . . . . . . . . . 6553 1 725 . 1 1 72 72 ILE HD13 H 1 0.6700 . . . . . . . . . . . 6553 1 726 . 1 1 72 72 ILE CA C 13 63.8310 . . . . . . . . . . . 6553 1 727 . 1 1 72 72 ILE CB C 13 35.7440 . . . . . . . . . . . 6553 1 728 . 1 1 72 72 ILE CG2 C 13 20.7200 . . . . . . . . . . . 6553 1 729 . 1 1 72 72 ILE CD1 C 13 11.8800 . . . . . . . . . . . 6553 1 730 . 1 1 72 72 ILE N N 15 124.9370 . . . . . . . . . . . 6553 1 731 . 1 1 73 73 ASP H H 1 8.6980 . . . . . . . . . . . 6553 1 732 . 1 1 73 73 ASP HA H 1 4.5100 . . . . . . . . . . . 6553 1 733 . 1 1 73 73 ASP HB2 H 1 2.8600 . . . . . . . . . . . 6553 1 734 . 1 1 73 73 ASP HB3 H 1 2.5800 . . . . . . . . . . . 6553 1 735 . 1 1 73 73 ASP CA C 13 55.4620 . . . . . . . . . . . 6553 1 736 . 1 1 73 73 ASP CB C 13 37.0860 . . . . . . . . . . . 6553 1 737 . 1 1 73 73 ASP N N 15 121.5910 . . . . . . . . . . . 6553 1 738 . 1 1 74 74 ASP H H 1 8.1890 . . . . . . . . . . . 6553 1 739 . 1 1 74 74 ASP HA H 1 4.3800 . . . . . . . . . . . 6553 1 740 . 1 1 74 74 ASP HB2 H 1 2.7840 . . . . . . . . . . . 6553 1 741 . 1 1 74 74 ASP HB3 H 1 2.5800 . . . . . . . . . . . 6553 1 742 . 1 1 74 74 ASP CA C 13 55.1540 . . . . . . . . . . . 6553 1 743 . 1 1 74 74 ASP CB C 13 38.0150 . . . . . . . . . . . 6553 1 744 . 1 1 74 74 ASP N N 15 122.4160 . . . . . . . . . . . 6553 1 745 . 1 1 75 75 ALA H H 1 7.7770 . . . . . . . . . . . 6553 1 746 . 1 1 75 75 ALA HA H 1 4.0800 . . . . . . . . . . . 6553 1 747 . 1 1 75 75 ALA HB1 H 1 1.4700 . . . . . . . . . . . 6553 1 748 . 1 1 75 75 ALA HB2 H 1 1.4700 . . . . . . . . . . . 6553 1 749 . 1 1 75 75 ALA HB3 H 1 1.4700 . . . . . . . . . . . 6553 1 750 . 1 1 75 75 ALA CA C 13 52.7840 . . . . . . . . . . . 6553 1 751 . 1 1 75 75 ALA CB C 13 16.1270 . . . . . . . . . . . 6553 1 752 . 1 1 75 75 ALA N N 15 124.5960 . . . . . . . . . . . 6553 1 753 . 1 1 76 76 LEU H H 1 8.7500 . . . . . . . . . . . 6553 1 754 . 1 1 76 76 LEU HA H 1 3.8600 . . . . . . . . . . . 6553 1 755 . 1 1 76 76 LEU HB2 H 1 1.9900 . . . . . . . . . . . 6553 1 756 . 1 1 76 76 LEU HG H 1 1.4200 . . . . . . . . . . . 6553 1 757 . 1 1 76 76 LEU HD11 H 1 0.8900 . . . . . . . . . . . 6553 1 758 . 1 1 76 76 LEU HD12 H 1 0.8900 . . . . . . . . . . . 6553 1 759 . 1 1 76 76 LEU HD13 H 1 0.8900 . . . . . . . . . . . 6553 1 760 . 1 1 76 76 LEU HD21 H 1 0.6900 . . . . . . . . . . . 6553 1 761 . 1 1 76 76 LEU HD22 H 1 0.6900 . . . . . . . . . . . 6553 1 762 . 1 1 76 76 LEU HD23 H 1 0.6900 . . . . . . . . . . . 6553 1 763 . 1 1 76 76 LEU CA C 13 55.6730 . . . . . . . . . . . 6553 1 764 . 1 1 76 76 LEU CB C 13 39.7700 . . . . . . . . . . . 6553 1 765 . 1 1 76 76 LEU CG C 13 29.4900 . . . . . . . . . . . 6553 1 766 . 1 1 76 76 LEU CD1 C 13 23.2500 . . . . . . . . . . . 6553 1 767 . 1 1 76 76 LEU CD2 C 13 23.0500 . . . . . . . . . . . 6553 1 768 . 1 1 76 76 LEU N N 15 120.5490 . . . . . . . . . . . 6553 1 769 . 1 1 77 77 LYS H H 1 7.8370 . . . . . . . . . . . 6553 1 770 . 1 1 77 77 LYS HA H 1 4.0100 . . . . . . . . . . . 6553 1 771 . 1 1 77 77 LYS HB2 H 1 1.9000 . . . . . . . . . . . 6553 1 772 . 1 1 77 77 LYS HG2 H 1 1.4200 . . . . . . . . . . . 6553 1 773 . 1 1 77 77 LYS HD2 H 1 1.6500 . . . . . . . . . . . 6553 1 774 . 1 1 77 77 LYS HD3 H 1 1.5700 . . . . . . . . . . . 6553 1 775 . 1 1 77 77 LYS HE2 H 1 2.9000 . . . . . . . . . . . 6553 1 776 . 1 1 77 77 LYS CA C 13 57.8430 . . . . . . . . . . . 6553 1 777 . 1 1 77 77 LYS CB C 13 29.7550 . . . . . . . . . . . 6553 1 778 . 1 1 77 77 LYS CG C 13 23.5600 . . . . . . . . . . . 6553 1 779 . 1 1 77 77 LYS CD C 13 29.0100 . . . . . . . . . . . 6553 1 780 . 1 1 77 77 LYS CE C 13 39.9400 . . . . . . . . . . . 6553 1 781 . 1 1 77 77 LYS N N 15 120.5390 . . . . . . . . . . . 6553 1 782 . 1 1 78 78 LEU H H 1 7.3650 . . . . . . . . . . . 6553 1 783 . 1 1 78 78 LEU HA H 1 4.0100 . . . . . . . . . . . 6553 1 784 . 1 1 78 78 LEU HB2 H 1 2.1600 . . . . . . . . . . . 6553 1 785 . 1 1 78 78 LEU HB3 H 1 1.8300 . . . . . . . . . . . 6553 1 786 . 1 1 78 78 LEU HG H 1 1.4600 . . . . . . . . . . . 6553 1 787 . 1 1 78 78 LEU HD11 H 1 0.7900 . . . . . . . . . . . 6553 1 788 . 1 1 78 78 LEU HD12 H 1 0.7900 . . . . . . . . . . . 6553 1 789 . 1 1 78 78 LEU HD13 H 1 0.7900 . . . . . . . . . . . 6553 1 790 . 1 1 78 78 LEU HD21 H 1 0.7500 . . . . . . . . . . . 6553 1 791 . 1 1 78 78 LEU HD22 H 1 0.7500 . . . . . . . . . . . 6553 1 792 . 1 1 78 78 LEU HD23 H 1 0.7500 . . . . . . . . . . . 6553 1 793 . 1 1 78 78 LEU CA C 13 55.6730 . . . . . . . . . . . 6553 1 794 . 1 1 78 78 LEU CB C 13 39.1500 . . . . . . . . . . . 6553 1 795 . 1 1 78 78 LEU CG C 13 29.1050 . . . . . . . . . . . 6553 1 796 . 1 1 78 78 LEU CD1 C 13 25.2000 . . . . . . . . . . . 6553 1 797 . 1 1 78 78 LEU CD2 C 13 19.8700 . . . . . . . . . . . 6553 1 798 . 1 1 78 78 LEU N N 15 117.5410 . . . . . . . . . . . 6553 1 799 . 1 1 79 79 ALA H H 1 7.9700 . . . . . . . . . . . 6553 1 800 . 1 1 79 79 ALA HA H 1 3.5200 . . . . . . . . . . . 6553 1 801 . 1 1 79 79 ALA HB1 H 1 1.2800 . . . . . . . . . . . 6553 1 802 . 1 1 79 79 ALA HB2 H 1 1.2800 . . . . . . . . . . . 6553 1 803 . 1 1 79 79 ALA HB3 H 1 1.2800 . . . . . . . . . . . 6553 1 804 . 1 1 79 79 ALA CA C 13 53.1980 . . . . . . . . . . . 6553 1 805 . 1 1 79 79 ALA CB C 13 15.2930 . . . . . . . . . . . 6553 1 806 . 1 1 79 79 ALA N N 15 120.3060 . . . . . . . . . . . 6553 1 807 . 1 1 80 80 ASN H H 1 8.5260 . . . . . . . . . . . 6553 1 808 . 1 1 80 80 ASN HA H 1 4.4300 . . . . . . . . . . . 6553 1 809 . 1 1 80 80 ASN HB2 H 1 2.8200 . . . . . . . . . . . 6553 1 810 . 1 1 80 80 ASN HB3 H 1 2.7600 . . . . . . . . . . . 6553 1 811 . 1 1 80 80 ASN HD21 H 1 7.4130 . . . . . . . . . . . 6553 1 812 . 1 1 80 80 ASN HD22 H 1 6.7410 . . . . . . . . . . . 6553 1 813 . 1 1 80 80 ASN CA C 13 53.4040 . . . . . . . . . . . 6553 1 814 . 1 1 80 80 ASN CB C 13 36.3610 . . . . . . . . . . . 6553 1 815 . 1 1 80 80 ASN N N 15 117.6860 . . . . . . . . . . . 6553 1 816 . 1 1 80 80 ASN ND2 N 15 111.2720 . . . . . . . . . . . 6553 1 817 . 1 1 81 81 GLU H H 1 7.7580 . . . . . . . . . . . 6553 1 818 . 1 1 81 81 GLU HA H 1 4.3700 . . . . . . . . . . . 6553 1 819 . 1 1 81 81 GLU HB2 H 1 2.1200 . . . . . . . . . . . 6553 1 820 . 1 1 81 81 GLU HB3 H 1 2.0600 . . . . . . . . . . . 6553 1 821 . 1 1 81 81 GLU HG2 H 1 2.4900 . . . . . . . . . . . 6553 1 822 . 1 1 81 81 GLU HG3 H 1 2.3100 . . . . . . . . . . . 6553 1 823 . 1 1 81 81 GLU CA C 13 53.5100 . . . . . . . . . . . 6553 1 824 . 1 1 81 81 GLU CB C 13 27.2750 . . . . . . . . . . . 6553 1 825 . 1 1 81 81 GLU CG C 13 32.3000 . . . . . . . . . . . 6553 1 826 . 1 1 81 81 GLU N N 15 117.8000 . . . . . . . . . . . 6553 1 827 . 1 1 82 82 GLY H H 1 7.7190 . . . . . . . . . . . 6553 1 828 . 1 1 82 82 GLY HA2 H 1 4.3300 . . . . . . . . . . . 6553 1 829 . 1 1 82 82 GLY HA3 H 1 3.5900 . . . . . . . . . . . 6553 1 830 . 1 1 82 82 GLY CA C 13 43.3850 . . . . . . . . . . . 6553 1 831 . 1 1 82 82 GLY N N 15 106.4120 . . . . . . . . . . . 6553 1 832 . 1 1 83 83 LYS H H 1 8.1250 . . . . . . . . . . . 6553 1 833 . 1 1 83 83 LYS HA H 1 4.5900 . . . . . . . . . . . 6553 1 834 . 1 1 83 83 LYS HB2 H 1 1.9000 . . . . . . . . . . . 6553 1 835 . 1 1 83 83 LYS HB3 H 1 1.7200 . . . . . . . . . . . 6553 1 836 . 1 1 83 83 LYS HG2 H 1 1.3000 . . . . . . . . . . . 6553 1 837 . 1 1 83 83 LYS HG3 H 1 1.2300 . . . . . . . . . . . 6553 1 838 . 1 1 83 83 LYS HD2 H 1 1.5900 . . . . . . . . . . . 6553 1 839 . 1 1 83 83 LYS HE2 H 1 2.9000 . . . . . . . . . . . 6553 1 840 . 1 1 83 83 LYS CA C 13 52.3680 . . . . . . . . . . . 6553 1 841 . 1 1 83 83 LYS CB C 13 27.5860 . . . . . . . . . . . 6553 1 842 . 1 1 83 83 LYS CG C 13 22.8900 . . . . . . . . . . . 6553 1 843 . 1 1 83 83 LYS CD C 13 26.8800 . . . . . . . . . . . 6553 1 844 . 1 1 83 83 LYS CE C 13 40.5200 . . . . . . . . . . . 6553 1 845 . 1 1 83 83 LYS N N 15 125.7940 . . . . . . . . . . . 6553 1 846 . 1 1 84 84 VAL H H 1 7.4230 . . . . . . . . . . . 6553 1 847 . 1 1 84 84 VAL HA H 1 3.2500 . . . . . . . . . . . 6553 1 848 . 1 1 84 84 VAL HB H 1 2.0200 . . . . . . . . . . . 6553 1 849 . 1 1 84 84 VAL HG11 H 1 0.9300 . . . . . . . . . . . 6553 1 850 . 1 1 84 84 VAL HG12 H 1 0.9300 . . . . . . . . . . . 6553 1 851 . 1 1 84 84 VAL HG13 H 1 0.9300 . . . . . . . . . . . 6553 1 852 . 1 1 84 84 VAL HG21 H 1 0.8300 . . . . . . . . . . . 6553 1 853 . 1 1 84 84 VAL HG22 H 1 0.8300 . . . . . . . . . . . 6553 1 854 . 1 1 84 84 VAL HG23 H 1 0.8300 . . . . . . . . . . . 6553 1 855 . 1 1 84 84 VAL CA C 13 65.1750 . . . . . . . . . . . 6553 1 856 . 1 1 84 84 VAL CB C 13 29.5480 . . . . . . . . . . . 6553 1 857 . 1 1 84 84 VAL CG1 C 13 20.5000 . . . . . . . . . . . 6553 1 858 . 1 1 84 84 VAL CG2 C 13 18.8900 . . . . . . . . . . . 6553 1 859 . 1 1 84 84 VAL N N 15 120.2100 . . . . . . . . . . . 6553 1 860 . 1 1 85 85 LYS H H 1 8.5970 . . . . . . . . . . . 6553 1 861 . 1 1 85 85 LYS HA H 1 4.0800 . . . . . . . . . . . 6553 1 862 . 1 1 85 85 LYS HB2 H 1 1.9900 . . . . . . . . . . . 6553 1 863 . 1 1 85 85 LYS HB3 H 1 1.8900 . . . . . . . . . . . 6553 1 864 . 1 1 85 85 LYS HG2 H 1 1.6000 . . . . . . . . . . . 6553 1 865 . 1 1 85 85 LYS HG3 H 1 1.6000 . . . . . . . . . . . 6553 1 866 . 1 1 85 85 LYS HD2 H 1 1.6000 . . . . . . . . . . . 6553 1 867 . 1 1 85 85 LYS HD3 H 1 1.6000 . . . . . . . . . . . 6553 1 868 . 1 1 85 85 LYS HE2 H 1 3.2200 . . . . . . . . . . . 6553 1 869 . 1 1 85 85 LYS CA C 13 57.5350 . . . . . . . . . . . 6553 1 870 . 1 1 85 85 LYS CB C 13 29.3410 . . . . . . . . . . . 6553 1 871 . 1 1 85 85 LYS CG C 13 24.4700 . . . . . . . . . . . 6553 1 872 . 1 1 85 85 LYS CD C 13 26.8200 . . . . . . . . . . . 6553 1 873 . 1 1 85 85 LYS CE C 13 40.5200 . . . . . . . . . . . 6553 1 874 . 1 1 85 85 LYS N N 15 120.9520 . . . . . . . . . . . 6553 1 875 . 1 1 86 86 GLU H H 1 9.3100 . . . . . . . . . . . 6553 1 876 . 1 1 86 86 GLU HA H 1 3.9700 . . . . . . . . . . . 6553 1 877 . 1 1 86 86 GLU HB2 H 1 1.8700 . . . . . . . . . . . 6553 1 878 . 1 1 86 86 GLU HB3 H 1 1.7200 . . . . . . . . . . . 6553 1 879 . 1 1 86 86 GLU HG2 H 1 2.2400 . . . . . . . . . . . 6553 1 880 . 1 1 86 86 GLU HG3 H 1 2.2400 . . . . . . . . . . . 6553 1 881 . 1 1 86 86 GLU CA C 13 58.0500 . . . . . . . . . . . 6553 1 882 . 1 1 86 86 GLU CB C 13 26.5530 . . . . . . . . . . . 6553 1 883 . 1 1 86 86 GLU CG C 13 34.3000 . . . . . . . . . . . 6553 1 884 . 1 1 86 86 GLU N N 15 121.3900 . . . . . . . . . . . 6553 1 885 . 1 1 87 87 ALA H H 1 8.4480 . . . . . . . . . . . 6553 1 886 . 1 1 87 87 ALA HA H 1 3.9800 . . . . . . . . . . . 6553 1 887 . 1 1 87 87 ALA HB1 H 1 1.4200 . . . . . . . . . . . 6553 1 888 . 1 1 87 87 ALA HB2 H 1 1.4200 . . . . . . . . . . . 6553 1 889 . 1 1 87 87 ALA HB3 H 1 1.4200 . . . . . . . . . . . 6553 1 890 . 1 1 87 87 ALA CA C 13 53.1960 . . . . . . . . . . . 6553 1 891 . 1 1 87 87 ALA CB C 13 16.7410 . . . . . . . . . . . 6553 1 892 . 1 1 87 87 ALA N N 15 123.8600 . . . . . . . . . . . 6553 1 893 . 1 1 88 88 GLN H H 1 8.8500 . . . . . . . . . . . 6553 1 894 . 1 1 88 88 GLN HA H 1 4.0400 . . . . . . . . . . . 6553 1 895 . 1 1 88 88 GLN HB2 H 1 2.0800 . . . . . . . . . . . 6553 1 896 . 1 1 88 88 GLN HB3 H 1 2.0800 . . . . . . . . . . . 6553 1 897 . 1 1 88 88 GLN HG2 H 1 2.4100 . . . . . . . . . . . 6553 1 898 . 1 1 88 88 GLN HG3 H 1 2.2600 . . . . . . . . . . . 6553 1 899 . 1 1 88 88 GLN HE21 H 1 7.4160 . . . . . . . . . . . 6553 1 900 . 1 1 88 88 GLN HE22 H 1 6.6640 . . . . . . . . . . . 6553 1 901 . 1 1 88 88 GLN CA C 13 56.8090 . . . . . . . . . . . 6553 1 902 . 1 1 88 88 GLN CB C 13 26.1420 . . . . . . . . . . . 6553 1 903 . 1 1 88 88 GLN CG C 13 32.2000 . . . . . . . . . . . 6553 1 904 . 1 1 88 88 GLN N N 15 118.2000 . . . . . . . . . . . 6553 1 905 . 1 1 88 88 GLN NE2 N 15 110.7510 . . . . . . . . . . . 6553 1 906 . 1 1 89 89 ALA H H 1 7.8600 . . . . . . . . . . . 6553 1 907 . 1 1 89 89 ALA HA H 1 4.1300 . . . . . . . . . . . 6553 1 908 . 1 1 89 89 ALA HB1 H 1 1.4200 . . . . . . . . . . . 6553 1 909 . 1 1 89 89 ALA HB2 H 1 1.4200 . . . . . . . . . . . 6553 1 910 . 1 1 89 89 ALA HB3 H 1 1.4200 . . . . . . . . . . . 6553 1 911 . 1 1 89 89 ALA CA C 13 52.7840 . . . . . . . . . . . 6553 1 912 . 1 1 89 89 ALA CB C 13 15.5040 . . . . . . . . . . . 6553 1 913 . 1 1 89 89 ALA N N 15 121.9880 . . . . . . . . . . . 6553 1 914 . 1 1 90 90 ALA H H 1 7.8900 . . . . . . . . . . . 6553 1 915 . 1 1 90 90 ALA HA H 1 4.1200 . . . . . . . . . . . 6553 1 916 . 1 1 90 90 ALA HB1 H 1 1.4200 . . . . . . . . . . . 6553 1 917 . 1 1 90 90 ALA HB2 H 1 1.4200 . . . . . . . . . . . 6553 1 918 . 1 1 90 90 ALA HB3 H 1 1.4200 . . . . . . . . . . . 6553 1 919 . 1 1 90 90 ALA CA C 13 52.7800 . . . . . . . . . . . 6553 1 920 . 1 1 90 90 ALA CB C 13 16.1210 . . . . . . . . . . . 6553 1 921 . 1 1 90 90 ALA N N 15 121.1750 . . . . . . . . . . . 6553 1 922 . 1 1 91 91 ALA H H 1 8.7460 . . . . . . . . . . . 6553 1 923 . 1 1 91 91 ALA HA H 1 3.8500 . . . . . . . . . . . 6553 1 924 . 1 1 91 91 ALA HB1 H 1 1.4000 . . . . . . . . . . . 6553 1 925 . 1 1 91 91 ALA HB2 H 1 1.4000 . . . . . . . . . . . 6553 1 926 . 1 1 91 91 ALA HB3 H 1 1.4000 . . . . . . . . . . . 6553 1 927 . 1 1 91 91 ALA CA C 13 53.1970 . . . . . . . . . . . 6553 1 928 . 1 1 91 91 ALA CB C 13 15.6070 . . . . . . . . . . . 6553 1 929 . 1 1 91 91 ALA N N 15 120.5490 . . . . . . . . . . . 6553 1 930 . 1 1 92 92 GLU H H 1 7.9470 . . . . . . . . . . . 6553 1 931 . 1 1 92 92 GLU HA H 1 3.9300 . . . . . . . . . . . 6553 1 932 . 1 1 92 92 GLU HB2 H 1 2.0700 . . . . . . . . . . . 6553 1 933 . 1 1 92 92 GLU HB3 H 1 2.0700 . . . . . . . . . . . 6553 1 934 . 1 1 92 92 GLU HG2 H 1 2.3600 . . . . . . . . . . . 6553 1 935 . 1 1 92 92 GLU HG3 H 1 2.3600 . . . . . . . . . . . 6553 1 936 . 1 1 92 92 GLU CA C 13 57.0130 . . . . . . . . . . . 6553 1 937 . 1 1 92 92 GLU CB C 13 26.9680 . . . . . . . . . . . 6553 1 938 . 1 1 92 92 GLU CG C 13 34.3000 . . . . . . . . . . . 6553 1 939 . 1 1 92 92 GLU N N 15 116.7450 . . . . . . . . . . . 6553 1 940 . 1 1 93 93 GLN H H 1 7.5540 . . . . . . . . . . . 6553 1 941 . 1 1 93 93 GLN HA H 1 4.1300 . . . . . . . . . . . 6553 1 942 . 1 1 93 93 GLN HB2 H 1 2.1200 . . . . . . . . . . . 6553 1 943 . 1 1 93 93 GLN HB3 H 1 2.1200 . . . . . . . . . . . 6553 1 944 . 1 1 93 93 GLN HG2 H 1 2.3600 . . . . . . . . . . . 6553 1 945 . 1 1 93 93 GLN HE21 H 1 7.4090 . . . . . . . . . . . 6553 1 946 . 1 1 93 93 GLN HE22 H 1 6.7710 . . . . . . . . . . . 6553 1 947 . 1 1 93 93 GLN CA C 13 56.2950 . . . . . . . . . . . 6553 1 948 . 1 1 93 93 GLN CB C 13 26.1400 . . . . . . . . . . . 6553 1 949 . 1 1 93 93 GLN CG C 13 32.5500 . . . . . . . . . . . 6553 1 950 . 1 1 93 93 GLN N N 15 118.9820 . . . . . . . . . . . 6553 1 951 . 1 1 93 93 GLN NE2 N 15 111.4650 . . . . . . . . . . . 6553 1 952 . 1 1 94 94 LEU H H 1 8.7230 . . . . . . . . . . . 6553 1 953 . 1 1 94 94 LEU HA H 1 3.9800 . . . . . . . . . . . 6553 1 954 . 1 1 94 94 LEU HB2 H 1 1.8700 . . . . . . . . . . . 6553 1 955 . 1 1 94 94 LEU HB3 H 1 1.8100 . . . . . . . . . . . 6553 1 956 . 1 1 94 94 LEU HG H 1 1.6600 . . . . . . . . . . . 6553 1 957 . 1 1 94 94 LEU HD11 H 1 0.8000 . . . . . . . . . . . 6553 1 958 . 1 1 94 94 LEU HD12 H 1 0.8000 . . . . . . . . . . . 6553 1 959 . 1 1 94 94 LEU HD13 H 1 0.8000 . . . . . . . . . . . 6553 1 960 . 1 1 94 94 LEU HD21 H 1 0.6000 . . . . . . . . . . . 6553 1 961 . 1 1 94 94 LEU HD22 H 1 0.6000 . . . . . . . . . . . 6553 1 962 . 1 1 94 94 LEU HD23 H 1 0.6000 . . . . . . . . . . . 6553 1 963 . 1 1 94 94 LEU CA C 13 55.5700 . . . . . . . . . . . 6553 1 964 . 1 1 94 94 LEU CB C 13 40.1840 . . . . . . . . . . . 6553 1 965 . 1 1 94 94 LEU CG C 13 26.8000 . . . . . . . . . . . 6553 1 966 . 1 1 94 94 LEU CD1 C 13 21.6000 . . . . . . . . . . . 6553 1 967 . 1 1 94 94 LEU CD2 C 13 21.1200 . . . . . . . . . . . 6553 1 968 . 1 1 94 94 LEU N N 15 121.7210 . . . . . . . . . . . 6553 1 969 . 1 1 95 95 LYS H H 1 8.0450 . . . . . . . . . . . 6553 1 970 . 1 1 95 95 LYS HA H 1 3.9400 . . . . . . . . . . . 6553 1 971 . 1 1 95 95 LYS HB2 H 1 1.8900 . . . . . . . . . . . 6553 1 972 . 1 1 95 95 LYS HB3 H 1 1.8200 . . . . . . . . . . . 6553 1 973 . 1 1 95 95 LYS HG2 H 1 1.3600 . . . . . . . . . . . 6553 1 974 . 1 1 95 95 LYS HG3 H 1 1.2900 . . . . . . . . . . . 6553 1 975 . 1 1 95 95 LYS HD2 H 1 1.6200 . . . . . . . . . . . 6553 1 976 . 1 1 95 95 LYS HE2 H 1 2.9200 . . . . . . . . . . . 6553 1 977 . 1 1 95 95 LYS CA C 13 58.2550 . . . . . . . . . . . 6553 1 978 . 1 1 95 95 LYS CB C 13 30.3730 . . . . . . . . . . . 6553 1 979 . 1 1 95 95 LYS CG C 13 23.8000 . . . . . . . . . . . 6553 1 980 . 1 1 95 95 LYS CD C 13 28.6000 . . . . . . . . . . . 6553 1 981 . 1 1 95 95 LYS CE C 13 40.5200 . . . . . . . . . . . 6553 1 982 . 1 1 95 95 LYS N N 15 118.9990 . . . . . . . . . . . 6553 1 983 . 1 1 96 96 THR H H 1 7.3460 . . . . . . . . . . . 6553 1 984 . 1 1 96 96 THR HA H 1 3.9300 . . . . . . . . . . . 6553 1 985 . 1 1 96 96 THR HB H 1 4.3500 . . . . . . . . . . . 6553 1 986 . 1 1 96 96 THR HG21 H 1 1.1900 . . . . . . . . . . . 6553 1 987 . 1 1 96 96 THR HG22 H 1 1.1900 . . . . . . . . . . . 6553 1 988 . 1 1 96 96 THR HG23 H 1 1.1900 . . . . . . . . . . . 6553 1 989 . 1 1 96 96 THR CA C 13 63.8370 . . . . . . . . . . . 6553 1 990 . 1 1 96 96 THR CB C 13 66.4170 . . . . . . . . . . . 6553 1 991 . 1 1 96 96 THR CG2 C 13 20.7200 . . . . . . . . . . . 6553 1 992 . 1 1 96 96 THR N N 15 114.3830 . . . . . . . . . . . 6553 1 993 . 1 1 97 97 THR H H 1 8.4900 . . . . . . . . . . . 6553 1 994 . 1 1 97 97 THR HA H 1 3.9300 . . . . . . . . . . . 6553 1 995 . 1 1 97 97 THR HB H 1 4.1400 . . . . . . . . . . . 6553 1 996 . 1 1 97 97 THR HG21 H 1 1.1700 . . . . . . . . . . . 6553 1 997 . 1 1 97 97 THR HG22 H 1 1.1700 . . . . . . . . . . . 6553 1 998 . 1 1 97 97 THR HG23 H 1 1.1700 . . . . . . . . . . . 6553 1 999 . 1 1 97 97 THR CA C 13 64.3490 . . . . . . . . . . . 6553 1 1000 . 1 1 97 97 THR CB C 13 66.3100 . . . . . . . . . . . 6553 1 1001 . 1 1 97 97 THR CG2 C 13 20.7200 . . . . . . . . . . . 6553 1 1002 . 1 1 97 97 THR N N 15 120.9670 . . . . . . . . . . . 6553 1 1003 . 1 1 98 98 ILE H H 1 9.2460 . . . . . . . . . . . 6553 1 1004 . 1 1 98 98 ILE HA H 1 3.5900 . . . . . . . . . . . 6553 1 1005 . 1 1 98 98 ILE HB H 1 1.8300 . . . . . . . . . . . 6553 1 1006 . 1 1 98 98 ILE HG12 H 1 1.0100 . . . . . . . . . . . 6553 1 1007 . 1 1 98 98 ILE HG21 H 1 0.8800 . . . . . . . . . . . 6553 1 1008 . 1 1 98 98 ILE HG22 H 1 0.8800 . . . . . . . . . . . 6553 1 1009 . 1 1 98 98 ILE HG23 H 1 0.8800 . . . . . . . . . . . 6553 1 1010 . 1 1 98 98 ILE HD11 H 1 0.8600 . . . . . . . . . . . 6553 1 1011 . 1 1 98 98 ILE HD12 H 1 0.8600 . . . . . . . . . . . 6553 1 1012 . 1 1 98 98 ILE HD13 H 1 0.8600 . . . . . . . . . . . 6553 1 1013 . 1 1 98 98 ILE CA C 13 63.8310 . . . . . . . . . . . 6553 1 1014 . 1 1 98 98 ILE CB C 13 35.9500 . . . . . . . . . . . 6553 1 1015 . 1 1 98 98 ILE CG1 C 13 26.1000 . . . . . . . . . . . 6553 1 1016 . 1 1 98 98 ILE CG2 C 13 19.6200 . . . . . . . . . . . 6553 1 1017 . 1 1 98 98 ILE CD1 C 13 11.8100 . . . . . . . . . . . 6553 1 1018 . 1 1 98 98 ILE N N 15 124.0080 . . . . . . . . . . . 6553 1 1019 . 1 1 99 99 ARG H H 1 7.4600 . . . . . . . . . . . 6553 1 1020 . 1 1 99 99 ARG HA H 1 4.1700 . . . . . . . . . . . 6553 1 1021 . 1 1 99 99 ARG HB2 H 1 1.9500 . . . . . . . . . . . 6553 1 1022 . 1 1 99 99 ARG HB3 H 1 1.9500 . . . . . . . . . . . 6553 1 1023 . 1 1 99 99 ARG HG2 H 1 1.5400 . . . . . . . . . . . 6553 1 1024 . 1 1 99 99 ARG HG3 H 1 1.5400 . . . . . . . . . . . 6553 1 1025 . 1 1 99 99 ARG HD2 H 1 3.2100 . . . . . . . . . . . 6553 1 1026 . 1 1 99 99 ARG HD3 H 1 3.1700 . . . . . . . . . . . 6553 1 1027 . 1 1 99 99 ARG CA C 13 57.5350 . . . . . . . . . . . 6553 1 1028 . 1 1 99 99 ARG CB C 13 27.5860 . . . . . . . . . . . 6553 1 1029 . 1 1 99 99 ARG CG C 13 24.6700 . . . . . . . . . . . 6553 1 1030 . 1 1 99 99 ARG CD C 13 42.5000 . . . . . . . . . . . 6553 1 1031 . 1 1 99 99 ARG N N 15 120.1180 . . . . . . . . . . . 6553 1 1032 . 1 1 100 100 ALA H H 1 7.9380 . . . . . . . . . . . 6553 1 1033 . 1 1 100 100 ALA HA H 1 3.9200 . . . . . . . . . . . 6553 1 1034 . 1 1 100 100 ALA HB1 H 1 1.4600 . . . . . . . . . . . 6553 1 1035 . 1 1 100 100 ALA HB2 H 1 1.4600 . . . . . . . . . . . 6553 1 1036 . 1 1 100 100 ALA HB3 H 1 1.4600 . . . . . . . . . . . 6553 1 1037 . 1 1 100 100 ALA CA C 13 52.7840 . . . . . . . . . . . 6553 1 1038 . 1 1 100 100 ALA CB C 13 15.7110 . . . . . . . . . . . 6553 1 1039 . 1 1 100 100 ALA N N 15 120.4320 . . . . . . . . . . . 6553 1 1040 . 1 1 101 101 TYR H H 1 8.2110 . . . . . . . . . . . 6553 1 1041 . 1 1 101 101 TYR HA H 1 4.0700 . . . . . . . . . . . 6553 1 1042 . 1 1 101 101 TYR HB2 H 1 2.9400 . . . . . . . . . . . 6553 1 1043 . 1 1 101 101 TYR HB3 H 1 2.8100 . . . . . . . . . . . 6553 1 1044 . 1 1 101 101 TYR HD1 H 1 6.5400 . . . . . . . . . . . 6553 1 1045 . 1 1 101 101 TYR HE1 H 1 6.1900 . . . . . . . . . . . 6553 1 1046 . 1 1 101 101 TYR CA C 13 59.9070 . . . . . . . . . . . 6553 1 1047 . 1 1 101 101 TYR CB C 13 36.7760 . . . . . . . . . . . 6553 1 1048 . 1 1 101 101 TYR N N 15 122.6180 . . . . . . . . . . . 6553 1 1049 . 1 1 102 102 ASN H H 1 8.3330 . . . . . . . . . . . 6553 1 1050 . 1 1 102 102 ASN HA H 1 4.5800 . . . . . . . . . . . 6553 1 1051 . 1 1 102 102 ASN HB2 H 1 2.9400 . . . . . . . . . . . 6553 1 1052 . 1 1 102 102 ASN HB3 H 1 2.8100 . . . . . . . . . . . 6553 1 1053 . 1 1 102 102 ASN HD21 H 1 7.2500 . . . . . . . . . . . 6553 1 1054 . 1 1 102 102 ASN HD22 H 1 6.7410 . . . . . . . . . . . 6553 1 1055 . 1 1 102 102 ASN CA C 13 54.2280 . . . . . . . . . . . 6553 1 1056 . 1 1 102 102 ASN CB C 13 36.6770 . . . . . . . . . . . 6553 1 1057 . 1 1 102 102 ASN N N 15 114.8970 . . . . . . . . . . . 6553 1 1058 . 1 1 102 102 ASN ND2 N 15 111.2390 . . . . . . . . . . . 6553 1 1059 . 1 1 103 103 GLN H H 1 8.3040 . . . . . . . . . . . 6553 1 1060 . 1 1 103 103 GLN HA H 1 4.0600 . . . . . . . . . . . 6553 1 1061 . 1 1 103 103 GLN HB2 H 1 2.1600 . . . . . . . . . . . 6553 1 1062 . 1 1 103 103 GLN HB3 H 1 2.0200 . . . . . . . . . . . 6553 1 1063 . 1 1 103 103 GLN HG2 H 1 2.4500 . . . . . . . . . . . 6553 1 1064 . 1 1 103 103 GLN HG3 H 1 2.3900 . . . . . . . . . . . 6553 1 1065 . 1 1 103 103 GLN HE21 H 1 7.4090 . . . . . . . . . . . 6553 1 1066 . 1 1 103 103 GLN HE22 H 1 6.7660 . . . . . . . . . . . 6553 1 1067 . 1 1 103 103 GLN CA C 13 56.1900 . . . . . . . . . . . 6553 1 1068 . 1 1 103 103 GLN CB C 13 26.3460 . . . . . . . . . . . 6553 1 1069 . 1 1 103 103 GLN CG C 13 32.4500 . . . . . . . . . . . 6553 1 1070 . 1 1 103 103 GLN N N 15 118.6250 . . . . . . . . . . . 6553 1 1071 . 1 1 103 103 GLN NE2 N 15 111.4340 . . . . . . . . . . . 6553 1 1072 . 1 1 104 104 LYS H H 1 7.7020 . . . . . . . . . . . 6553 1 1073 . 1 1 104 104 LYS HA H 1 3.8400 . . . . . . . . . . . 6553 1 1074 . 1 1 104 104 LYS HB2 H 1 1.5800 . . . . . . . . . . . 6553 1 1075 . 1 1 104 104 LYS HB3 H 1 1.5200 . . . . . . . . . . . 6553 1 1076 . 1 1 104 104 LYS HG2 H 1 1.0100 . . . . . . . . . . . 6553 1 1077 . 1 1 104 104 LYS HG3 H 1 0.5700 . . . . . . . . . . . 6553 1 1078 . 1 1 104 104 LYS HD2 H 1 1.4000 . . . . . . . . . . . 6553 1 1079 . 1 1 104 104 LYS HD3 H 1 1.3600 . . . . . . . . . . . 6553 1 1080 . 1 1 104 104 LYS HE2 H 1 2.7000 . . . . . . . . . . . 6553 1 1081 . 1 1 104 104 LYS CA C 13 56.6030 . . . . . . . . . . . 6553 1 1082 . 1 1 104 104 LYS CB C 13 29.7540 . . . . . . . . . . . 6553 1 1083 . 1 1 104 104 LYS CG C 13 22.5900 . . . . . . . . . . . 6553 1 1084 . 1 1 104 104 LYS CD C 13 27.7400 . . . . . . . . . . . 6553 1 1085 . 1 1 104 104 LYS CE C 13 40.5200 . . . . . . . . . . . 6553 1 1086 . 1 1 104 104 LYS N N 15 120.1690 . . . . . . . . . . . 6553 1 1087 . 1 1 105 105 TYR H H 1 7.1350 . . . . . . . . . . . 6553 1 1088 . 1 1 105 105 TYR HA H 1 4.2900 . . . . . . . . . . . 6553 1 1089 . 1 1 105 105 TYR HB2 H 1 3.1000 . . . . . . . . . . . 6553 1 1090 . 1 1 105 105 TYR HB3 H 1 2.5300 . . . . . . . . . . . 6553 1 1091 . 1 1 105 105 TYR HD1 H 1 6.8300 . . . . . . . . . . . 6553 1 1092 . 1 1 105 105 TYR HE1 H 1 6.4600 . . . . . . . . . . . 6553 1 1093 . 1 1 105 105 TYR CA C 13 57.0160 . . . . . . . . . . . 6553 1 1094 . 1 1 105 105 TYR CB C 13 37.1890 . . . . . . . . . . . 6553 1 1095 . 1 1 105 105 TYR N N 15 115.3780 . . . . . . . . . . . 6553 1 1096 . 1 1 106 106 GLY H H 1 7.3060 . . . . . . . . . . . 6553 1 1097 . 1 1 106 106 GLY HA2 H 1 3.9400 . . . . . . . . . . . 6553 1 1098 . 1 1 106 106 GLY HA3 H 1 3.5900 . . . . . . . . . . . 6553 1 1099 . 1 1 106 106 GLY CA C 13 44.2210 . . . . . . . . . . . 6553 1 1100 . 1 1 106 106 GLY N N 15 113.2800 . . . . . . . . . . . 6553 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 6553 _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 750 _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 . 6553 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 . . . 2 2 ASP H . . . . . . 2 2 ASP HA . . . 7.348 . . 0.5 . . . . . . . . . . . 6553 1 2 3JHNHA . . . 4 4 GLU H . . . . . . 4 4 GLU HA . . . 7.682 . . 0.5 . . . . . . . . . . . 6553 1 3 3JHNHA . . . 5 5 ASP H . . . . . . 5 5 ASP HA . . . 8.529 . . 0.5 . . . . . . . . . . . 6553 1 4 3JHNHA . . . 6 6 ASN H . . . . . . 6 6 ASN HA . . . 6.472 . . 0.5 . . . . . . . . . . . 6553 1 5 3JHNHA . . . 9 9 THR H . . . . . . 9 9 THR HA . . . 7.910 . . 0.5 . . . . . . . . . . . 6553 1 6 3JHNHA . . . 10 10 GLY H . . . . . . 10 10 GLY HA . . . 7.364 . . 0.5 . . . . . . . . . . . 6553 1 7 3JHNHA . . . 11 11 ASN H . . . . . . 11 11 ASN HA . . . 8.335 . . 0.5 . . . . . . . . . . . 6553 1 8 3JHNHA . . . 13 13 ASN H . . . . . . 13 13 ASN HA . . . 7.698 . . 0.5 . . . . . . . . . . . 6553 1 9 3JHNHA . . . 14 14 GLY H . . . . . . 14 14 GLY HA . . . 7.664 . . 0.5 . . . . . . . . . . . 6553 1 10 3JHNHA . . . 15 15 LYS H . . . . . . 15 15 LYS HA . . . 8.536 . . 0.5 . . . . . . . . . . . 6553 1 11 3JHNHA . . . 16 16 GLY H . . . . . . 16 16 GLY HA . . . 7.717 . . 0.5 . . . . . . . . . . . 6553 1 12 3JHNHA . . . 17 17 GLY H . . . . . . 17 17 GLY HA . . . 7.743 . . 0.5 . . . . . . . . . . . 6553 1 13 3JHNHA . . . 20 20 ALA H . . . . . . 20 20 ALA HA . . . 7.831 . . 0.5 . . . . . . . . . . . 6553 1 14 3JHNHA . . . 21 21 ASP H . . . . . . 21 21 ASP HA . . . 7.658 . . 0.5 . . . . . . . . . . . 6553 1 15 3JHNHA . . . 22 22 ASN H . . . . . . 22 22 ASN HA . . . 6.380 . . 0.5 . . . . . . . . . . . 6553 1 16 3JHNHA . . . 24 24 ALA H . . . . . . 24 24 ALA HA . . . 2.798 . . 0.5 . . . . . . . . . . . 6553 1 17 3JHNHA . . . 25 25 GLN H . . . . . . 25 25 GLN HA . . . 4.703 . . 0.5 . . . . . . . . . . . 6553 1 18 3JHNHA . . . 27 27 LYS H . . . . . . 27 27 LYS HA . . . 3.556 . . 0.5 . . . . . . . . . . . 6553 1 19 3JHNHA . . . 28 28 ASP H . . . . . . 28 28 ASP HA . . . 4.041 . . 0.5 . . . . . . . . . . . 6553 1 20 3JHNHA . . . 30 30 LEU H . . . . . . 30 30 LEU HA . . . 6.998 . . 0.5 . . . . . . . . . . . 6553 1 21 3JHNHA . . . 31 31 THR H . . . . . . 31 31 THR HA . . . 3.782 . . 0.5 . . . . . . . . . . . 6553 1 22 3JHNHA . . . 34 34 ARG H . . . . . . 34 34 ARG HA . . . 3.684 . . 0.5 . . . . . . . . . . . 6553 1 23 3JHNHA . . . 35 35 ALA H . . . . . . 35 35 ALA HA . . . 3.550 . . 0.5 . . . . . . . . . . . 6553 1 24 3JHNHA . . . 36 36 ALA H . . . . . . 36 36 ALA HA . . . 4.291 . . 0.5 . . . . . . . . . . . 6553 1 25 3JHNHA . . . 38 38 LEU H . . . . . . 38 38 LEU HA . . . 5.102 . . 0.5 . . . . . . . . . . . 6553 1 26 3JHNHA . . . 39 39 ASP H . . . . . . 39 39 ASP HA . . . 4.856 . . 0.5 . . . . . . . . . . . 6553 1 27 3JHNHA . . . 40 40 ALA H . . . . . . 40 40 ALA HA . . . 5.321 . . 0.5 . . . . . . . . . . . 6553 1 28 3JHNHA . . . 41 41 GLN H . . . . . . 41 41 GLN HA . . . 3.490 . . 0.5 . . . . . . . . . . . 6553 1 29 3JHNHA . . . 43 43 ALA H . . . . . . 43 43 ALA HA . . . 9.116 . . 0.5 . . . . . . . . . . . 6553 1 30 3JHNHA . . . 44 44 THR H . . . . . . 44 44 THR HA . . . 0.023 . . 0.5 . . . . . . . . . . . 6553 1 31 3JHNHA . . . 47 47 LYS H . . . . . . 47 47 LYS HA . . . 4.355 . . 0.5 . . . . . . . . . . . 6553 1 32 3JHNHA . . . 48 48 LEU H . . . . . . 48 48 LEU HA . . . 7.491 . . 0.5 . . . . . . . . . . . 6553 1 33 3JHNHA . . . 50 50 ASP H . . . . . . 50 50 ASP HA . . . 8.382 . . 0.5 . . . . . . . . . . . 6553 1 34 3JHNHA . . . 51 51 LYS H . . . . . . 51 51 LYS HA . . . 7.963 . . 0.5 . . . . . . . . . . . 6553 1 35 3JHNHA . . . 52 52 SER H . . . . . . 52 52 SER HA . . . 3.799 . . 0.5 . . . . . . . . . . . 6553 1 36 3JHNHA . . . 54 54 ASP H . . . . . . 54 54 ASP HA . . . 9.579 . . 0.5 . . . . . . . . . . . 6553 1 37 3JHNHA . . . 55 55 SER H . . . . . . 55 55 SER HA . . . 5.655 . . 0.5 . . . . . . . . . . . 6553 1 38 3JHNHA . . . 57 57 GLU H . . . . . . 57 57 GLU HA . . . 3.425 . . 0.5 . . . . . . . . . . . 6553 1 39 3JHNHA . . . 58 58 MET H . . . . . . 58 58 MET HA . . . 3.624 . . 0.5 . . . . . . . . . . . 6553 1 40 3JHNHA . . . 59 59 LYS H . . . . . . 59 59 LYS HA . . . 4.378 . . 0.5 . . . . . . . . . . . 6553 1 41 3JHNHA . . . 60 60 ASP H . . . . . . 60 60 ASP HA . . . 3.938 . . 0.5 . . . . . . . . . . . 6553 1 42 3JHNHA . . . 61 61 PHE H . . . . . . 61 61 PHE HA . . . 4.676 . . 0.5 . . . . . . . . . . . 6553 1 43 3JHNHA . . . 62 62 ARG H . . . . . . 62 62 ARG HA . . . 4.082 . . 0.5 . . . . . . . . . . . 6553 1 44 3JHNHA . . . 63 63 HIS H . . . . . . 63 63 HIS HA . . . 2.766 . . 0.5 . . . . . . . . . . . 6553 1 45 3JHNHA . . . 65 65 PHE H . . . . . . 65 65 PHE HA . . . 6.878 . . 0.5 . . . . . . . . . . . 6553 1 46 3JHNHA . . . 67 67 ILE H . . . . . . 67 67 ILE HA . . . 4.844 . . 0.5 . . . . . . . . . . . 6553 1 47 3JHNHA . . . 68 68 LEU H . . . . . . 68 68 LEU HA . . . 4.626 . . 0.5 . . . . . . . . . . . 6553 1 48 3JHNHA . . . 69 69 VAL H . . . . . . 69 69 VAL HA . . . 4.037 . . 0.5 . . . . . . . . . . . 6553 1 49 3JHNHA . . . 70 70 GLY H . . . . . . 70 70 GLY HA . . . 6.392 . . 0.5 . . . . . . . . . . . 6553 1 50 3JHNHA . . . 72 72 ILE H . . . . . . 72 72 ILE HA . . . 5.310 . . 0.5 . . . . . . . . . . . 6553 1 51 3JHNHA . . . 74 74 ASP H . . . . . . 74 74 ASP HA . . . 4.344 . . 0.5 . . . . . . . . . . . 6553 1 52 3JHNHA . . . 75 75 ALA H . . . . . . 75 75 ALA HA . . . 5.645 . . 0.5 . . . . . . . . . . . 6553 1 53 3JHNHA . . . 77 77 LYS H . . . . . . 77 77 LYS HA . . . 3.867 . . 0.5 . . . . . . . . . . . 6553 1 54 3JHNHA . . . 78 78 LEU H . . . . . . 78 78 LEU HA . . . 3.120 . . 0.5 . . . . . . . . . . . 6553 1 55 3JHNHA . . . 79 79 ALA H . . . . . . 79 79 ALA HA . . . 6.774 . . 0.5 . . . . . . . . . . . 6553 1 56 3JHNHA . . . 81 81 GLU H . . . . . . 81 81 GLU HA . . . 7.015 . . 0.5 . . . . . . . . . . . 6553 1 57 3JHNHA . . . 82 82 GLY H . . . . . . 82 82 GLY HA . . . 6.158 . . 0.5 . . . . . . . . . . . 6553 1 58 3JHNHA . . . 83 83 LYS H . . . . . . 83 83 LYS HA . . . 4.961 . . 0.5 . . . . . . . . . . . 6553 1 59 3JHNHA . . . 84 84 VAL H . . . . . . 84 84 VAL HA . . . 4.367 . . 0.5 . . . . . . . . . . . 6553 1 60 3JHNHA . . . 85 85 LYS H . . . . . . 85 85 LYS HA . . . 4.303 . . 0.5 . . . . . . . . . . . 6553 1 61 3JHNHA . . . 87 87 ALA H . . . . . . 87 87 ALA HA . . . 4.460 . . 0.5 . . . . . . . . . . . 6553 1 62 3JHNHA . . . 90 90 ALA H . . . . . . 90 90 ALA HA . . . 4.565 . . 0.5 . . . . . . . . . . . 6553 1 63 3JHNHA . . . 91 91 ALA H . . . . . . 91 91 ALA HA . . . 4.306 . . 0.5 . . . . . . . . . . . 6553 1 64 3JHNHA . . . 92 92 GLU H . . . . . . 92 92 GLU HA . . . 4.920 . . 0.5 . . . . . . . . . . . 6553 1 65 3JHNHA . . . 94 94 LEU H . . . . . . 94 94 LEU HA . . . 3.359 . . 0.5 . . . . . . . . . . . 6553 1 66 3JHNHA . . . 95 95 LYS H . . . . . . 95 95 LYS HA . . . 6.426 . . 0.5 . . . . . . . . . . . 6553 1 67 3JHNHA . . . 96 96 THR H . . . . . . 96 96 THR HA . . . 4.199 . . 0.5 . . . . . . . . . . . 6553 1 68 3JHNHA . . . 96 96 THR H . . . . . . 96 96 THR HA . . . 3.523 . . 0.5 . . . . . . . . . . . 6553 1 69 3JHNHA . . . 97 97 THR H . . . . . . 97 97 THR HA . . . 4.630 . . 0.5 . . . . . . . . . . . 6553 1 70 3JHNHA . . . 98 98 ILE H . . . . . . 98 98 ILE HA . . . 4.047 . . 0.5 . . . . . . . . . . . 6553 1 71 3JHNHA . . . 99 99 ARG H . . . . . . 99 99 ARG HA . . . 3.093 . . 0.5 . . . . . . . . . . . 6553 1 72 3JHNHA . . . 101 101 TYR H . . . . . . 101 101 TYR HA . . . 5.870 . . 0.5 . . . . . . . . . . . 6553 1 73 3JHNHA . . . 102 102 ASN H . . . . . . 102 102 ASN HA . . . 5.655 . . 0.5 . . . . . . . . . . . 6553 1 74 3JHNHA . . . 104 104 LYS H . . . . . . 104 104 LYS HA . . . 9.594 . . 0.5 . . . . . . . . . . . 6553 1 75 3JHNHA . . . 105 105 TYR H . . . . . . 105 105 TYR HA . . . 5.830 . . 0.5 . . . . . . . . . . . 6553 1 76 3JHNHA . . . 105 105 TYR H . . . . . . 105 105 TYR HA . . . 4.997 . . 0.5 . . . . . . . . . . . 6553 1 stop_ save_