data_1696 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1696 _Entry.Title ; Complete 1H and 13C assignment of Lys and Leu sidechains of staphylococcal nuclease using HCCH-COSY and HCCH-TOCSY 3D NMR spectroscopy ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Donna Baldisseri . M. . 1696 2 J. Pelton . G. . 1696 3 Steven Sparks . W. . 1696 4 Dennis Torchia . A. . 1696 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1696 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 165 1696 '15N chemical shifts' 33 1696 '1H chemical shifts' 341 1696 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 4 . . 2010-06-15 . revision BMRB 'Complete natural source information' 1696 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1696 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1696 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1696 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1696 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Baldisseri, Donna M., Pelton, J.G., Sparks, Steven W., Torchia, Dennis A., "Complete 1H and 13C assignment of Lys and Leu sidechains of staphylococcal nuclease using HCCH-COSY and HCCH-TOCSY 3D NMR spectroscopy," FEBS Lett. 281 (1-2), 33-38 (1991). ; _Citation.Title ; Complete 1H and 13C assignment of Lys and Leu sidechains of staphylococcal nuclease using HCCH-COSY and HCCH-TOCSY 3D NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 1-2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 33 _Citation.Page_last 38 _Citation.Year 1991 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Donna Baldisseri . M. . 1696 1 2 J. Pelton . G. . 1696 1 3 Steven Sparks . W. . 1696 1 4 Dennis Torchia . A. . 1696 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_micrococcal_nuclease _Assembly.Sf_category assembly _Assembly.Sf_framecode system_micrococcal_nuclease _Assembly.Entry_ID 1696 _Assembly.ID 1 _Assembly.Name 'micrococcal nuclease' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'micrococcal nuclease' 1 $micrococcal_nuclease . . . . . . . . . 1696 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'micrococcal nuclease' system 1696 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_micrococcal_nuclease _Entity.Sf_category entity _Entity.Sf_framecode micrococcal_nuclease _Entity.Entry_ID 1696 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'micrococcal nuclease' _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 ; MDPTVYSATSTKKLHKEPXT LXKAIDGXTVKLMYKGXPMT FRLLLVDTPEXKXPKKGVEK YGPXASAFTKKMVENAKKIE VEFNKGQXTDKYGRGLAXIY ADGKMVNEALVRQGLAKVAY XYKPNNTHXXHLRKSEAQAK KEKLNIXSENDADSGQ ; _Entity.Polymer_seq_one_letter_code ; MDPTVYSATSTKKLHKEPXT LXKAIDGXTVKLMYKGXPMT FRLLLVDTPEXKXPKKGVEK YGPXASAFTKKMVENAKKIE VEFNKGQXTDKYGRGLAXIY ADGKMVNEALVRQGLAKVAY XYKPNNTHXXHLRKSEAQAK KEKLNIXSENDADSGQ ; _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 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.1.31.1 _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 1999-12-06 loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'micrococcal nuclease' common 1696 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 1696 1 2 . ASP . 1696 1 3 . PRO . 1696 1 4 . THR . 1696 1 5 . VAL . 1696 1 6 . TYR . 1696 1 7 . SER . 1696 1 8 . ALA . 1696 1 9 . THR . 1696 1 10 . SER . 1696 1 11 . THR . 1696 1 12 . LYS . 1696 1 13 . LYS . 1696 1 14 . LEU . 1696 1 15 . HIS . 1696 1 16 . LYS . 1696 1 17 . GLU . 1696 1 18 . PRO . 1696 1 19 . X . 1696 1 20 . THR . 1696 1 21 . LEU . 1696 1 22 . X . 1696 1 23 . LYS . 1696 1 24 . ALA . 1696 1 25 . ILE . 1696 1 26 . ASP . 1696 1 27 . GLY . 1696 1 28 . X . 1696 1 29 . THR . 1696 1 30 . VAL . 1696 1 31 . LYS . 1696 1 32 . LEU . 1696 1 33 . MET . 1696 1 34 . TYR . 1696 1 35 . LYS . 1696 1 36 . GLY . 1696 1 37 . X . 1696 1 38 . PRO . 1696 1 39 . MET . 1696 1 40 . THR . 1696 1 41 . PHE . 1696 1 42 . ARG . 1696 1 43 . LEU . 1696 1 44 . LEU . 1696 1 45 . LEU . 1696 1 46 . VAL . 1696 1 47 . ASP . 1696 1 48 . THR . 1696 1 49 . PRO . 1696 1 50 . GLU . 1696 1 51 . X . 1696 1 52 . LYS . 1696 1 53 . X . 1696 1 54 . PRO . 1696 1 55 . LYS . 1696 1 56 . LYS . 1696 1 57 . GLY . 1696 1 58 . VAL . 1696 1 59 . GLU . 1696 1 60 . LYS . 1696 1 61 . TYR . 1696 1 62 . GLY . 1696 1 63 . PRO . 1696 1 64 . X . 1696 1 65 . ALA . 1696 1 66 . SER . 1696 1 67 . ALA . 1696 1 68 . PHE . 1696 1 69 . THR . 1696 1 70 . LYS . 1696 1 71 . LYS . 1696 1 72 . MET . 1696 1 73 . VAL . 1696 1 74 . GLU . 1696 1 75 . ASN . 1696 1 76 . ALA . 1696 1 77 . LYS . 1696 1 78 . LYS . 1696 1 79 . ILE . 1696 1 80 . GLU . 1696 1 81 . VAL . 1696 1 82 . GLU . 1696 1 83 . PHE . 1696 1 84 . ASN . 1696 1 85 . LYS . 1696 1 86 . GLY . 1696 1 87 . GLN . 1696 1 88 . X . 1696 1 89 . THR . 1696 1 90 . ASP . 1696 1 91 . LYS . 1696 1 92 . TYR . 1696 1 93 . GLY . 1696 1 94 . ARG . 1696 1 95 . GLY . 1696 1 96 . LEU . 1696 1 97 . ALA . 1696 1 98 . X . 1696 1 99 . ILE . 1696 1 100 . TYR . 1696 1 101 . ALA . 1696 1 102 . ASP . 1696 1 103 . GLY . 1696 1 104 . LYS . 1696 1 105 . MET . 1696 1 106 . VAL . 1696 1 107 . ASN . 1696 1 108 . GLU . 1696 1 109 . ALA . 1696 1 110 . LEU . 1696 1 111 . VAL . 1696 1 112 . ARG . 1696 1 113 . GLN . 1696 1 114 . GLY . 1696 1 115 . LEU . 1696 1 116 . ALA . 1696 1 117 . LYS . 1696 1 118 . VAL . 1696 1 119 . ALA . 1696 1 120 . TYR . 1696 1 121 . X . 1696 1 122 . TYR . 1696 1 123 . LYS . 1696 1 124 . PRO . 1696 1 125 . ASN . 1696 1 126 . ASN . 1696 1 127 . THR . 1696 1 128 . HIS . 1696 1 129 . X . 1696 1 130 . X . 1696 1 131 . HIS . 1696 1 132 . LEU . 1696 1 133 . ARG . 1696 1 134 . LYS . 1696 1 135 . SER . 1696 1 136 . GLU . 1696 1 137 . ALA . 1696 1 138 . GLN . 1696 1 139 . ALA . 1696 1 140 . LYS . 1696 1 141 . LYS . 1696 1 142 . GLU . 1696 1 143 . LYS . 1696 1 144 . LEU . 1696 1 145 . ASN . 1696 1 146 . ILE . 1696 1 147 . X . 1696 1 148 . SER . 1696 1 149 . GLU . 1696 1 150 . ASN . 1696 1 151 . ASP . 1696 1 152 . ALA . 1696 1 153 . ASP . 1696 1 154 . SER . 1696 1 155 . GLY . 1696 1 156 . GLN . 1696 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 1696 1 . ASP 2 2 1696 1 . PRO 3 3 1696 1 . THR 4 4 1696 1 . VAL 5 5 1696 1 . TYR 6 6 1696 1 . SER 7 7 1696 1 . ALA 8 8 1696 1 . THR 9 9 1696 1 . SER 10 10 1696 1 . THR 11 11 1696 1 . LYS 12 12 1696 1 . LYS 13 13 1696 1 . LEU 14 14 1696 1 . HIS 15 15 1696 1 . LYS 16 16 1696 1 . GLU 17 17 1696 1 . PRO 18 18 1696 1 . X 19 19 1696 1 . THR 20 20 1696 1 . LEU 21 21 1696 1 . X 22 22 1696 1 . LYS 23 23 1696 1 . ALA 24 24 1696 1 . ILE 25 25 1696 1 . ASP 26 26 1696 1 . GLY 27 27 1696 1 . X 28 28 1696 1 . THR 29 29 1696 1 . VAL 30 30 1696 1 . LYS 31 31 1696 1 . LEU 32 32 1696 1 . MET 33 33 1696 1 . TYR 34 34 1696 1 . LYS 35 35 1696 1 . GLY 36 36 1696 1 . X 37 37 1696 1 . PRO 38 38 1696 1 . MET 39 39 1696 1 . THR 40 40 1696 1 . PHE 41 41 1696 1 . ARG 42 42 1696 1 . LEU 43 43 1696 1 . LEU 44 44 1696 1 . LEU 45 45 1696 1 . VAL 46 46 1696 1 . ASP 47 47 1696 1 . THR 48 48 1696 1 . PRO 49 49 1696 1 . GLU 50 50 1696 1 . X 51 51 1696 1 . LYS 52 52 1696 1 . X 53 53 1696 1 . PRO 54 54 1696 1 . LYS 55 55 1696 1 . LYS 56 56 1696 1 . GLY 57 57 1696 1 . VAL 58 58 1696 1 . GLU 59 59 1696 1 . LYS 60 60 1696 1 . TYR 61 61 1696 1 . GLY 62 62 1696 1 . PRO 63 63 1696 1 . X 64 64 1696 1 . ALA 65 65 1696 1 . SER 66 66 1696 1 . ALA 67 67 1696 1 . PHE 68 68 1696 1 . THR 69 69 1696 1 . LYS 70 70 1696 1 . LYS 71 71 1696 1 . MET 72 72 1696 1 . VAL 73 73 1696 1 . GLU 74 74 1696 1 . ASN 75 75 1696 1 . ALA 76 76 1696 1 . LYS 77 77 1696 1 . LYS 78 78 1696 1 . ILE 79 79 1696 1 . GLU 80 80 1696 1 . VAL 81 81 1696 1 . GLU 82 82 1696 1 . PHE 83 83 1696 1 . ASN 84 84 1696 1 . LYS 85 85 1696 1 . GLY 86 86 1696 1 . GLN 87 87 1696 1 . X 88 88 1696 1 . THR 89 89 1696 1 . ASP 90 90 1696 1 . LYS 91 91 1696 1 . TYR 92 92 1696 1 . GLY 93 93 1696 1 . ARG 94 94 1696 1 . GLY 95 95 1696 1 . LEU 96 96 1696 1 . ALA 97 97 1696 1 . X 98 98 1696 1 . ILE 99 99 1696 1 . TYR 100 100 1696 1 . ALA 101 101 1696 1 . ASP 102 102 1696 1 . GLY 103 103 1696 1 . LYS 104 104 1696 1 . MET 105 105 1696 1 . VAL 106 106 1696 1 . ASN 107 107 1696 1 . GLU 108 108 1696 1 . ALA 109 109 1696 1 . LEU 110 110 1696 1 . VAL 111 111 1696 1 . ARG 112 112 1696 1 . GLN 113 113 1696 1 . GLY 114 114 1696 1 . LEU 115 115 1696 1 . ALA 116 116 1696 1 . LYS 117 117 1696 1 . VAL 118 118 1696 1 . ALA 119 119 1696 1 . TYR 120 120 1696 1 . X 121 121 1696 1 . TYR 122 122 1696 1 . LYS 123 123 1696 1 . PRO 124 124 1696 1 . ASN 125 125 1696 1 . ASN 126 126 1696 1 . THR 127 127 1696 1 . HIS 128 128 1696 1 . X 129 129 1696 1 . X 130 130 1696 1 . HIS 131 131 1696 1 . LEU 132 132 1696 1 . ARG 133 133 1696 1 . LYS 134 134 1696 1 . SER 135 135 1696 1 . GLU 136 136 1696 1 . ALA 137 137 1696 1 . GLN 138 138 1696 1 . ALA 139 139 1696 1 . LYS 140 140 1696 1 . LYS 141 141 1696 1 . GLU 142 142 1696 1 . LYS 143 143 1696 1 . LEU 144 144 1696 1 . ASN 145 145 1696 1 . ILE 146 146 1696 1 . X 147 147 1696 1 . SER 148 148 1696 1 . GLU 149 149 1696 1 . ASN 150 150 1696 1 . ASP 151 151 1696 1 . ALA 152 152 1696 1 . ASP 153 153 1696 1 . SER 154 154 1696 1 . GLY 155 155 1696 1 . GLN 156 156 1696 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 1696 _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 $micrococcal_nuclease . 1280 organism . 'Staphylococcus aureus' . . . Bacteria . Staphylococcus aureus 'Foggi strain' . . . . . . . . . . . . . . . . . . . . 1696 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 1696 _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 $micrococcal_nuclease . 'not available' 'Escherichia coli' . . . Escherichia coli KL740 . . . . . . . . . . . . . . . . . . . . . . 1696 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1696 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 1696 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . na 1696 1 temperature 310 . K 1696 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 1696 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 1696 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 1696 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 1696 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 1696 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 1696 _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 . TSP . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1696 1 H . H2O/HDO . . . . . ppm 4.66 . . . . . . 1 $entry_citation . . 1 $entry_citation 1696 1 N . 'liquid NH3' . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1696 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 1696 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 1696 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 13 13 LYS H H 1 8.11 0.02 . 1 . . . . . . . . 1696 1 2 . 1 1 13 13 LYS CA C 13 56.2 0.02 . 1 . . . . . . . . 1696 1 3 . 1 1 13 13 LYS HA H 1 4.39 0.02 . 1 . . . . . . . . 1696 1 4 . 1 1 13 13 LYS CB C 13 33.7 0.02 . 1 . . . . . . . . 1696 1 5 . 1 1 13 13 LYS CG C 13 24.7 0.02 . 1 . . . . . . . . 1696 1 6 . 1 1 13 13 LYS HB2 H 1 1.75 0.02 . 2 . . . . . . . . 1696 1 7 . 1 1 13 13 LYS HB3 H 1 1.86 0.02 . 2 . . . . . . . . 1696 1 8 . 1 1 13 13 LYS CD C 13 28.9 0.02 . 1 . . . . . . . . 1696 1 9 . 1 1 13 13 LYS HG2 H 1 1.45 0.02 . 2 . . . . . . . . 1696 1 10 . 1 1 13 13 LYS HG3 H 1 1.51 0.02 . 2 . . . . . . . . 1696 1 11 . 1 1 13 13 LYS CE C 13 42.2 0.02 . 1 . . . . . . . . 1696 1 12 . 1 1 13 13 LYS HD2 H 1 1.75 0.02 . 1 . . . . . . . . 1696 1 13 . 1 1 13 13 LYS HD3 H 1 1.75 0.02 . 1 . . . . . . . . 1696 1 14 . 1 1 13 13 LYS HE2 H 1 3.05 0.02 . 1 . . . . . . . . 1696 1 15 . 1 1 13 13 LYS HE3 H 1 3.05 0.02 . 1 . . . . . . . . 1696 1 16 . 1 1 13 13 LYS N N 15 122 0.02 . 1 . . . . . . . . 1696 1 17 . 1 1 14 14 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 1696 1 18 . 1 1 14 14 LEU CA C 13 54.9 0.02 . 1 . . . . . . . . 1696 1 19 . 1 1 14 14 LEU HA H 1 4.56 0.02 . 1 . . . . . . . . 1696 1 20 . 1 1 14 14 LEU CB C 13 41.8 0.02 . 1 . . . . . . . . 1696 1 21 . 1 1 14 14 LEU CG C 13 28.1 0.02 . 1 . . . . . . . . 1696 1 22 . 1 1 14 14 LEU HB2 H 1 1.77 0.02 . 1 . . . . . . . . 1696 1 23 . 1 1 14 14 LEU HB3 H 1 1.77 0.02 . 1 . . . . . . . . 1696 1 24 . 1 1 14 14 LEU CD1 C 13 22.1 0.02 . 2 . . . . . . . . 1696 1 25 . 1 1 14 14 LEU CD2 C 13 24.9 0.02 . 2 . . . . . . . . 1696 1 26 . 1 1 14 14 LEU HG H 1 1.8 0.02 . 1 . . . . . . . . 1696 1 27 . 1 1 14 14 LEU HD11 H 1 .96 0.02 . 2 . . . . . . . . 1696 1 28 . 1 1 14 14 LEU HD12 H 1 .96 0.02 . 2 . . . . . . . . 1696 1 29 . 1 1 14 14 LEU HD13 H 1 .96 0.02 . 2 . . . . . . . . 1696 1 30 . 1 1 14 14 LEU HD21 H 1 1.04 0.02 . 2 . . . . . . . . 1696 1 31 . 1 1 14 14 LEU HD22 H 1 1.04 0.02 . 2 . . . . . . . . 1696 1 32 . 1 1 14 14 LEU HD23 H 1 1.04 0.02 . 2 . . . . . . . . 1696 1 33 . 1 1 14 14 LEU N N 15 122.2 0.02 . 1 . . . . . . . . 1696 1 34 . 1 1 16 16 LYS H H 1 8.4 0.02 . 1 . . . . . . . . 1696 1 35 . 1 1 16 16 LYS CA C 13 56.1 0.02 . 1 . . . . . . . . 1696 1 36 . 1 1 16 16 LYS HA H 1 4.87 0.02 . 1 . . . . . . . . 1696 1 37 . 1 1 16 16 LYS CB C 13 35.1 0.02 . 1 . . . . . . . . 1696 1 38 . 1 1 16 16 LYS CG C 13 25.8 0.02 . 1 . . . . . . . . 1696 1 39 . 1 1 16 16 LYS HB2 H 1 1.42 0.02 . 2 . . . . . . . . 1696 1 40 . 1 1 16 16 LYS HB3 H 1 1.53 0.02 . 2 . . . . . . . . 1696 1 41 . 1 1 16 16 LYS CD C 13 29.2 0.02 . 1 . . . . . . . . 1696 1 42 . 1 1 16 16 LYS HG2 H 1 .8 0.02 . 2 . . . . . . . . 1696 1 43 . 1 1 16 16 LYS HG3 H 1 1.35 0.02 . 2 . . . . . . . . 1696 1 44 . 1 1 16 16 LYS CE C 13 40.8 0.02 . 1 . . . . . . . . 1696 1 45 . 1 1 16 16 LYS HD2 H 1 1.05 0.02 . 2 . . . . . . . . 1696 1 46 . 1 1 16 16 LYS HD3 H 1 .9 0.02 . 2 . . . . . . . . 1696 1 47 . 1 1 16 16 LYS HE2 H 1 1.8 0.02 . 1 . . . . . . . . 1696 1 48 . 1 1 16 16 LYS HE3 H 1 1.8 0.02 . 1 . . . . . . . . 1696 1 49 . 1 1 16 16 LYS N N 15 124.1 0.02 . 1 . . . . . . . . 1696 1 50 . 1 1 21 21 LEU H H 1 9.13 0.02 . 1 . . . . . . . . 1696 1 51 . 1 1 21 21 LEU CA C 13 56.9 0.02 . 1 . . . . . . . . 1696 1 52 . 1 1 21 21 LEU HA H 1 4.14 0.02 . 1 . . . . . . . . 1696 1 53 . 1 1 21 21 LEU CB C 13 43.1 0.02 . 1 . . . . . . . . 1696 1 54 . 1 1 21 21 LEU CG C 13 27 0.02 . 1 . . . . . . . . 1696 1 55 . 1 1 21 21 LEU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 1696 1 56 . 1 1 21 21 LEU HB3 H 1 1.15 0.02 . 2 . . . . . . . . 1696 1 57 . 1 1 21 21 LEU CD1 C 13 23.3 0.02 . 2 . . . . . . . . 1696 1 58 . 1 1 21 21 LEU CD2 C 13 27 0.02 . 2 . . . . . . . . 1696 1 59 . 1 1 21 21 LEU HG H 1 1.28 0.02 . 1 . . . . . . . . 1696 1 60 . 1 1 21 21 LEU HD11 H 1 .76 0.02 . 2 . . . . . . . . 1696 1 61 . 1 1 21 21 LEU HD12 H 1 .76 0.02 . 2 . . . . . . . . 1696 1 62 . 1 1 21 21 LEU HD13 H 1 .76 0.02 . 2 . . . . . . . . 1696 1 63 . 1 1 21 21 LEU HD21 H 1 .91 0.02 . 2 . . . . . . . . 1696 1 64 . 1 1 21 21 LEU HD22 H 1 .91 0.02 . 2 . . . . . . . . 1696 1 65 . 1 1 21 21 LEU HD23 H 1 .91 0.02 . 2 . . . . . . . . 1696 1 66 . 1 1 21 21 LEU N N 15 125.1 0.02 . 1 . . . . . . . . 1696 1 67 . 1 1 23 23 LYS H H 1 8.04 0.02 . 1 . . . . . . . . 1696 1 68 . 1 1 23 23 LYS CA C 13 56.7 0.02 . 1 . . . . . . . . 1696 1 69 . 1 1 23 23 LYS HA H 1 4.44 0.02 . 1 . . . . . . . . 1696 1 70 . 1 1 23 23 LYS CB C 13 35.9 0.02 . 1 . . . . . . . . 1696 1 71 . 1 1 23 23 LYS CG C 13 24.2 0.02 . 1 . . . . . . . . 1696 1 72 . 1 1 23 23 LYS HB2 H 1 1.84 0.02 . 1 . . . . . . . . 1696 1 73 . 1 1 23 23 LYS HB3 H 1 1.84 0.02 . 1 . . . . . . . . 1696 1 74 . 1 1 23 23 LYS CD C 13 29.1 0.02 . 1 . . . . . . . . 1696 1 75 . 1 1 23 23 LYS HG2 H 1 1.3 0.02 . 1 . . . . . . . . 1696 1 76 . 1 1 23 23 LYS HG3 H 1 1.3 0.02 . 1 . . . . . . . . 1696 1 77 . 1 1 23 23 LYS CE C 13 42 0.02 . 1 . . . . . . . . 1696 1 78 . 1 1 23 23 LYS HD2 H 1 1.68 0.02 . 2 . . . . . . . . 1696 1 79 . 1 1 23 23 LYS HD3 H 1 1.66 0.02 . 2 . . . . . . . . 1696 1 80 . 1 1 23 23 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 1696 1 81 . 1 1 23 23 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 1696 1 82 . 1 1 23 23 LYS N N 15 114.6 0.02 . 1 . . . . . . . . 1696 1 83 . 1 1 31 31 LYS H H 1 9.41 0.02 . 1 . . . . . . . . 1696 1 84 . 1 1 31 31 LYS CA C 13 56.3 0.02 . 1 . . . . . . . . 1696 1 85 . 1 1 31 31 LYS HA H 1 5.43 0.02 . 1 . . . . . . . . 1696 1 86 . 1 1 31 31 LYS CB C 13 35 0.02 . 1 . . . . . . . . 1696 1 87 . 1 1 31 31 LYS CG C 13 25.7 0.02 . 1 . . . . . . . . 1696 1 88 . 1 1 31 31 LYS HB2 H 1 2.04 0.02 . 2 . . . . . . . . 1696 1 89 . 1 1 31 31 LYS HB3 H 1 1.69 0.02 . 2 . . . . . . . . 1696 1 90 . 1 1 31 31 LYS CD C 13 30 0.02 . 1 . . . . . . . . 1696 1 91 . 1 1 31 31 LYS HG2 H 1 1.36 0.02 . 1 . . . . . . . . 1696 1 92 . 1 1 31 31 LYS HG3 H 1 1.36 0.02 . 1 . . . . . . . . 1696 1 93 . 1 1 31 31 LYS CE C 13 41.9 0.02 . 1 . . . . . . . . 1696 1 94 . 1 1 31 31 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 1696 1 95 . 1 1 31 31 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 1696 1 96 . 1 1 31 31 LYS HE2 H 1 2.83 0.02 . 1 . . . . . . . . 1696 1 97 . 1 1 31 31 LYS HE3 H 1 2.83 0.02 . 1 . . . . . . . . 1696 1 98 . 1 1 31 31 LYS N N 15 127.5 0.02 . 1 . . . . . . . . 1696 1 99 . 1 1 32 32 LEU H H 1 9.34 0.02 . 1 . . . . . . . . 1696 1 100 . 1 1 32 32 LEU CA C 13 53.3 0.02 . 1 . . . . . . . . 1696 1 101 . 1 1 32 32 LEU HA H 1 5.2 0.02 . 1 . . . . . . . . 1696 1 102 . 1 1 32 32 LEU CB C 13 45.8 0.02 . 1 . . . . . . . . 1696 1 103 . 1 1 32 32 LEU CG C 13 27 0.02 . 1 . . . . . . . . 1696 1 104 . 1 1 32 32 LEU HB2 H 1 1.78 0.02 . 2 . . . . . . . . 1696 1 105 . 1 1 32 32 LEU HB3 H 1 1.44 0.02 . 2 . . . . . . . . 1696 1 106 . 1 1 32 32 LEU CD1 C 13 24.8 0.02 . 2 . . . . . . . . 1696 1 107 . 1 1 32 32 LEU CD2 C 13 25.4 0.02 . 2 . . . . . . . . 1696 1 108 . 1 1 32 32 LEU HG H 1 1.48 0.02 . 1 . . . . . . . . 1696 1 109 . 1 1 32 32 LEU HD11 H 1 .02 0.02 . 2 . . . . . . . . 1696 1 110 . 1 1 32 32 LEU HD12 H 1 .02 0.02 . 2 . . . . . . . . 1696 1 111 . 1 1 32 32 LEU HD13 H 1 .02 0.02 . 2 . . . . . . . . 1696 1 112 . 1 1 32 32 LEU HD21 H 1 .75 0.02 . 2 . . . . . . . . 1696 1 113 . 1 1 32 32 LEU HD22 H 1 .75 0.02 . 2 . . . . . . . . 1696 1 114 . 1 1 32 32 LEU HD23 H 1 .75 0.02 . 2 . . . . . . . . 1696 1 115 . 1 1 32 32 LEU N N 15 127.3 0.02 . 1 . . . . . . . . 1696 1 116 . 1 1 35 35 LYS H H 1 9.28 0.02 . 1 . . . . . . . . 1696 1 117 . 1 1 35 35 LYS CA C 13 57.5 0.02 . 1 . . . . . . . . 1696 1 118 . 1 1 35 35 LYS HA H 1 3.59 0.02 . 1 . . . . . . . . 1696 1 119 . 1 1 35 35 LYS CB C 13 30.1 0.02 . 1 . . . . . . . . 1696 1 120 . 1 1 35 35 LYS CG C 13 25 0.02 . 1 . . . . . . . . 1696 1 121 . 1 1 35 35 LYS HB2 H 1 1.75 0.02 . 2 . . . . . . . . 1696 1 122 . 1 1 35 35 LYS HB3 H 1 1.38 0.02 . 2 . . . . . . . . 1696 1 123 . 1 1 35 35 LYS CD C 13 29.4 0.02 . 1 . . . . . . . . 1696 1 124 . 1 1 35 35 LYS HG2 H 1 .49 0.02 . 2 . . . . . . . . 1696 1 125 . 1 1 35 35 LYS HG3 H 1 .83 0.02 . 2 . . . . . . . . 1696 1 126 . 1 1 35 35 LYS CE C 13 42.1 0.02 . 1 . . . . . . . . 1696 1 127 . 1 1 35 35 LYS HD2 H 1 1.51 0.02 . 1 . . . . . . . . 1696 1 128 . 1 1 35 35 LYS HD3 H 1 1.51 0.02 . 1 . . . . . . . . 1696 1 129 . 1 1 35 35 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 1696 1 130 . 1 1 35 35 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 1696 1 131 . 1 1 35 35 LYS N N 15 127.7 0.02 . 1 . . . . . . . . 1696 1 132 . 1 1 43 43 LEU H H 1 8.32 0.02 . 1 . . . . . . . . 1696 1 133 . 1 1 43 43 LEU CA C 13 56.4 0.02 . 1 . . . . . . . . 1696 1 134 . 1 1 43 43 LEU HA H 1 4.36 0.02 . 1 . . . . . . . . 1696 1 135 . 1 1 43 43 LEU CB C 13 42.5 0.02 . 1 . . . . . . . . 1696 1 136 . 1 1 43 43 LEU CG C 13 28.8 0.02 . 1 . . . . . . . . 1696 1 137 . 1 1 43 43 LEU HB2 H 1 1.65 0.02 . 2 . . . . . . . . 1696 1 138 . 1 1 43 43 LEU HB3 H 1 1.51 0.02 . 2 . . . . . . . . 1696 1 139 . 1 1 43 43 LEU CD1 C 13 24.4 0.02 . 2 . . . . . . . . 1696 1 140 . 1 1 43 43 LEU CD2 C 13 26.2 0.02 . 2 . . . . . . . . 1696 1 141 . 1 1 43 43 LEU HG H 1 1.7 0.02 . 1 . . . . . . . . 1696 1 142 . 1 1 43 43 LEU HD11 H 1 .76 0.02 . 2 . . . . . . . . 1696 1 143 . 1 1 43 43 LEU HD12 H 1 .76 0.02 . 2 . . . . . . . . 1696 1 144 . 1 1 43 43 LEU HD13 H 1 .76 0.02 . 2 . . . . . . . . 1696 1 145 . 1 1 43 43 LEU HD21 H 1 .78 0.02 . 2 . . . . . . . . 1696 1 146 . 1 1 43 43 LEU HD22 H 1 .78 0.02 . 2 . . . . . . . . 1696 1 147 . 1 1 43 43 LEU HD23 H 1 .78 0.02 . 2 . . . . . . . . 1696 1 148 . 1 1 43 43 LEU N N 15 124.9 0.02 . 1 . . . . . . . . 1696 1 149 . 1 1 44 44 LEU H H 1 7.43 0.02 . 1 . . . . . . . . 1696 1 150 . 1 1 44 44 LEU CA C 13 56.3 0.02 . 1 . . . . . . . . 1696 1 151 . 1 1 44 44 LEU HA H 1 3.95 0.02 . 1 . . . . . . . . 1696 1 152 . 1 1 44 44 LEU CB C 13 45.9 0.02 . 1 . . . . . . . . 1696 1 153 . 1 1 44 44 LEU CG C 13 27.8 0.02 . 1 . . . . . . . . 1696 1 154 . 1 1 44 44 LEU HB2 H 1 .75 0.02 . 2 . . . . . . . . 1696 1 155 . 1 1 44 44 LEU HB3 H 1 1.08 0.02 . 2 . . . . . . . . 1696 1 156 . 1 1 44 44 LEU CD1 C 13 26.5 0.02 . 2 . . . . . . . . 1696 1 157 . 1 1 44 44 LEU CD2 C 13 26.6 0.02 . 2 . . . . . . . . 1696 1 158 . 1 1 44 44 LEU HG H 1 1.28 0.02 . 1 . . . . . . . . 1696 1 159 . 1 1 44 44 LEU HD11 H 1 .41 0.02 . 2 . . . . . . . . 1696 1 160 . 1 1 44 44 LEU HD12 H 1 .41 0.02 . 2 . . . . . . . . 1696 1 161 . 1 1 44 44 LEU HD13 H 1 .41 0.02 . 2 . . . . . . . . 1696 1 162 . 1 1 44 44 LEU HD21 H 1 1.19 0.02 . 2 . . . . . . . . 1696 1 163 . 1 1 44 44 LEU HD22 H 1 1.19 0.02 . 2 . . . . . . . . 1696 1 164 . 1 1 44 44 LEU HD23 H 1 1.19 0.02 . 2 . . . . . . . . 1696 1 165 . 1 1 44 44 LEU N N 15 122 0.02 . 1 . . . . . . . . 1696 1 166 . 1 1 45 45 LEU H H 1 9.35 0.02 . 1 . . . . . . . . 1696 1 167 . 1 1 45 45 LEU CA C 13 56.4 0.02 . 1 . . . . . . . . 1696 1 168 . 1 1 45 45 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 1696 1 169 . 1 1 45 45 LEU CB C 13 40.8 0.02 . 1 . . . . . . . . 1696 1 170 . 1 1 45 45 LEU CG C 13 27.9 0.02 . 1 . . . . . . . . 1696 1 171 . 1 1 45 45 LEU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 1696 1 172 . 1 1 45 45 LEU HB3 H 1 2.29 0.02 . 2 . . . . . . . . 1696 1 173 . 1 1 45 45 LEU CD1 C 13 25.1 0.02 . 2 . . . . . . . . 1696 1 174 . 1 1 45 45 LEU CD2 C 13 28.3 0.02 . 2 . . . . . . . . 1696 1 175 . 1 1 45 45 LEU HG H 1 1.92 0.02 . 1 . . . . . . . . 1696 1 176 . 1 1 45 45 LEU HD11 H 1 1.13 0.02 . 2 . . . . . . . . 1696 1 177 . 1 1 45 45 LEU HD12 H 1 1.13 0.02 . 2 . . . . . . . . 1696 1 178 . 1 1 45 45 LEU HD13 H 1 1.13 0.02 . 2 . . . . . . . . 1696 1 179 . 1 1 45 45 LEU HD21 H 1 1.19 0.02 . 2 . . . . . . . . 1696 1 180 . 1 1 45 45 LEU HD22 H 1 1.19 0.02 . 2 . . . . . . . . 1696 1 181 . 1 1 45 45 LEU HD23 H 1 1.19 0.02 . 2 . . . . . . . . 1696 1 182 . 1 1 45 45 LEU N N 15 111.7 0.02 . 1 . . . . . . . . 1696 1 183 . 1 1 52 52 LYS H H 1 8.09 0.02 . 1 . . . . . . . . 1696 1 184 . 1 1 52 52 LYS CA C 13 56 0.02 . 1 . . . . . . . . 1696 1 185 . 1 1 52 52 LYS HA H 1 4.31 0.02 . 1 . . . . . . . . 1696 1 186 . 1 1 52 52 LYS CB C 13 33 0.02 . 1 . . . . . . . . 1696 1 187 . 1 1 52 52 LYS CG C 13 24.7 0.02 . 1 . . . . . . . . 1696 1 188 . 1 1 52 52 LYS HB2 H 1 1.82 0.02 . 2 . . . . . . . . 1696 1 189 . 1 1 52 52 LYS HB3 H 1 1.64 0.02 . 2 . . . . . . . . 1696 1 190 . 1 1 52 52 LYS CD C 13 29.1 0.02 . 1 . . . . . . . . 1696 1 191 . 1 1 52 52 LYS HG2 H 1 1.32 0.02 . 1 . . . . . . . . 1696 1 192 . 1 1 52 52 LYS HG3 H 1 1.32 0.02 . 1 . . . . . . . . 1696 1 193 . 1 1 52 52 LYS CE C 13 42 0.02 . 1 . . . . . . . . 1696 1 194 . 1 1 52 52 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 1696 1 195 . 1 1 52 52 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 1696 1 196 . 1 1 52 52 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 1696 1 197 . 1 1 52 52 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 1696 1 198 . 1 1 52 52 LYS N N 15 123.1 0.02 . 1 . . . . . . . . 1696 1 199 . 1 1 55 55 LYS H H 1 9.21 0.02 . 1 . . . . . . . . 1696 1 200 . 1 1 55 55 LYS CA C 13 56.9 0.02 . 1 . . . . . . . . 1696 1 201 . 1 1 55 55 LYS HA H 1 4.61 0.02 . 1 . . . . . . . . 1696 1 202 . 1 1 55 55 LYS CB C 13 34.9 0.02 . 1 . . . . . . . . 1696 1 203 . 1 1 55 55 LYS CG C 13 25 0.02 . 1 . . . . . . . . 1696 1 204 . 1 1 55 55 LYS HB2 H 1 2.02 0.02 . 2 . . . . . . . . 1696 1 205 . 1 1 55 55 LYS HB3 H 1 1.9 0.02 . 2 . . . . . . . . 1696 1 206 . 1 1 55 55 LYS CD C 13 28.8 0.02 . 1 . . . . . . . . 1696 1 207 . 1 1 55 55 LYS HG2 H 1 1.47 0.02 . 2 . . . . . . . . 1696 1 208 . 1 1 55 55 LYS HG3 H 1 1.58 0.02 . 2 . . . . . . . . 1696 1 209 . 1 1 55 55 LYS CE C 13 41.9 0.02 . 1 . . . . . . . . 1696 1 210 . 1 1 55 55 LYS HD2 H 1 1.75 0.02 . 1 . . . . . . . . 1696 1 211 . 1 1 55 55 LYS HD3 H 1 1.75 0.02 . 1 . . . . . . . . 1696 1 212 . 1 1 55 55 LYS HE2 H 1 3.03 0.02 . 1 . . . . . . . . 1696 1 213 . 1 1 55 55 LYS HE3 H 1 3.03 0.02 . 1 . . . . . . . . 1696 1 214 . 1 1 55 55 LYS N N 15 117.6 0.02 . 1 . . . . . . . . 1696 1 215 . 1 1 56 56 LYS H H 1 8.91 0.02 . 1 . . . . . . . . 1696 1 216 . 1 1 56 56 LYS CA C 13 57.1 0.02 . 1 . . . . . . . . 1696 1 217 . 1 1 56 56 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 1696 1 218 . 1 1 56 56 LYS CB C 13 33.7 0.02 . 1 . . . . . . . . 1696 1 219 . 1 1 56 56 LYS CG C 13 25.4 0.02 . 1 . . . . . . . . 1696 1 220 . 1 1 56 56 LYS HB2 H 1 1.23 0.02 . 2 . . . . . . . . 1696 1 221 . 1 1 56 56 LYS HB3 H 1 1.78 0.02 . 2 . . . . . . . . 1696 1 222 . 1 1 56 56 LYS CD C 13 28.9 0.02 . 1 . . . . . . . . 1696 1 223 . 1 1 56 56 LYS HG2 H 1 1.03 0.02 . 2 . . . . . . . . 1696 1 224 . 1 1 56 56 LYS HG3 H 1 1.28 0.02 . 2 . . . . . . . . 1696 1 225 . 1 1 56 56 LYS CE C 13 41.4 0.02 . 1 . . . . . . . . 1696 1 226 . 1 1 56 56 LYS HD2 H 1 1.26 0.02 . 2 . . . . . . . . 1696 1 227 . 1 1 56 56 LYS HD3 H 1 1.47 0.02 . 2 . . . . . . . . 1696 1 228 . 1 1 56 56 LYS HE2 H 1 2.57 0.02 . 1 . . . . . . . . 1696 1 229 . 1 1 56 56 LYS HE3 H 1 2.57 0.02 . 1 . . . . . . . . 1696 1 230 . 1 1 56 56 LYS N N 15 119.6 0.02 . 1 . . . . . . . . 1696 1 231 . 1 1 60 60 LYS H H 1 8.53 0.02 . 1 . . . . . . . . 1696 1 232 . 1 1 60 60 LYS CA C 13 59 0.02 . 1 . . . . . . . . 1696 1 233 . 1 1 60 60 LYS HA H 1 3.8 0.02 . 1 . . . . . . . . 1696 1 234 . 1 1 60 60 LYS CB C 13 32.1 0.02 . 1 . . . . . . . . 1696 1 235 . 1 1 60 60 LYS CG C 13 25 0.02 . 1 . . . . . . . . 1696 1 236 . 1 1 60 60 LYS HB2 H 1 1.55 0.02 . 2 . . . . . . . . 1696 1 237 . 1 1 60 60 LYS HB3 H 1 1.66 0.02 . 2 . . . . . . . . 1696 1 238 . 1 1 60 60 LYS CD C 13 29.1 0.02 . 1 . . . . . . . . 1696 1 239 . 1 1 60 60 LYS HG2 H 1 .85 0.02 . 2 . . . . . . . . 1696 1 240 . 1 1 60 60 LYS HG3 H 1 1.11 0.02 . 2 . . . . . . . . 1696 1 241 . 1 1 60 60 LYS CE C 13 41.9 0.02 . 1 . . . . . . . . 1696 1 242 . 1 1 60 60 LYS HD2 H 1 1.53 0.02 . 1 . . . . . . . . 1696 1 243 . 1 1 60 60 LYS HD3 H 1 1.53 0.02 . 1 . . . . . . . . 1696 1 244 . 1 1 60 60 LYS HE2 H 1 2.76 0.02 . 1 . . . . . . . . 1696 1 245 . 1 1 60 60 LYS HE3 H 1 2.76 0.02 . 1 . . . . . . . . 1696 1 246 . 1 1 60 60 LYS N N 15 125.7 0.02 . 1 . . . . . . . . 1696 1 247 . 1 1 70 70 LYS H H 1 8.09 0.02 . 1 . . . . . . . . 1696 1 248 . 1 1 70 70 LYS CA C 13 60.4 0.02 . 1 . . . . . . . . 1696 1 249 . 1 1 70 70 LYS HA H 1 3.59 0.02 . 1 . . . . . . . . 1696 1 250 . 1 1 70 70 LYS CB C 13 33.6 0.02 . 1 . . . . . . . . 1696 1 251 . 1 1 70 70 LYS CG C 13 24.5 0.02 . 1 . . . . . . . . 1696 1 252 . 1 1 70 70 LYS HB2 H 1 1.76 0.02 . 2 . . . . . . . . 1696 1 253 . 1 1 70 70 LYS HB3 H 1 1.82 0.02 . 2 . . . . . . . . 1696 1 254 . 1 1 70 70 LYS CD C 13 30 0.02 . 1 . . . . . . . . 1696 1 255 . 1 1 70 70 LYS HG2 H 1 1.16 0.02 . 2 . . . . . . . . 1696 1 256 . 1 1 70 70 LYS HG3 H 1 1.27 0.02 . 2 . . . . . . . . 1696 1 257 . 1 1 70 70 LYS CE C 13 41.8 0.02 . 1 . . . . . . . . 1696 1 258 . 1 1 70 70 LYS HD2 H 1 1.6 0.02 . 2 . . . . . . . . 1696 1 259 . 1 1 70 70 LYS HD3 H 1 1.66 0.02 . 2 . . . . . . . . 1696 1 260 . 1 1 70 70 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 1696 1 261 . 1 1 70 70 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 1696 1 262 . 1 1 70 70 LYS N N 15 120.2 0.02 . 1 . . . . . . . . 1696 1 263 . 1 1 71 71 LYS H H 1 7.9 0.02 . 1 . . . . . . . . 1696 1 264 . 1 1 71 71 LYS CA C 13 59.4 0.02 . 1 . . . . . . . . 1696 1 265 . 1 1 71 71 LYS HA H 1 3.94 0.02 . 1 . . . . . . . . 1696 1 266 . 1 1 71 71 LYS CB C 13 32.2 0.02 . 1 . . . . . . . . 1696 1 267 . 1 1 71 71 LYS CG C 13 24.9 0.02 . 1 . . . . . . . . 1696 1 268 . 1 1 71 71 LYS HB2 H 1 1.75 0.02 . 1 . . . . . . . . 1696 1 269 . 1 1 71 71 LYS HB3 H 1 1.75 0.02 . 1 . . . . . . . . 1696 1 270 . 1 1 71 71 LYS CD C 13 29.3 0.02 . 1 . . . . . . . . 1696 1 271 . 1 1 71 71 LYS HG2 H 1 1.31 0.02 . 2 . . . . . . . . 1696 1 272 . 1 1 71 71 LYS HG3 H 1 1.39 0.02 . 2 . . . . . . . . 1696 1 273 . 1 1 71 71 LYS CE C 13 42 0.02 . 1 . . . . . . . . 1696 1 274 . 1 1 71 71 LYS HD2 H 1 1.58 0.02 . 1 . . . . . . . . 1696 1 275 . 1 1 71 71 LYS HD3 H 1 1.58 0.02 . 1 . . . . . . . . 1696 1 276 . 1 1 71 71 LYS HE2 H 1 2.86 0.02 . 1 . . . . . . . . 1696 1 277 . 1 1 71 71 LYS HE3 H 1 2.86 0.02 . 1 . . . . . . . . 1696 1 278 . 1 1 71 71 LYS N N 15 117.3 0.02 . 1 . . . . . . . . 1696 1 279 . 1 1 77 77 LYS H H 1 10.12 0.02 . 1 . . . . . . . . 1696 1 280 . 1 1 77 77 LYS CA C 13 57.8 0.02 . 1 . . . . . . . . 1696 1 281 . 1 1 77 77 LYS HA H 1 4.36 0.02 . 1 . . . . . . . . 1696 1 282 . 1 1 77 77 LYS CB C 13 32.5 0.02 . 1 . . . . . . . . 1696 1 283 . 1 1 77 77 LYS CG C 13 25.2 0.02 . 1 . . . . . . . . 1696 1 284 . 1 1 77 77 LYS HB2 H 1 1.94 0.02 . 2 . . . . . . . . 1696 1 285 . 1 1 77 77 LYS HB3 H 1 2.04 0.02 . 2 . . . . . . . . 1696 1 286 . 1 1 77 77 LYS CD C 13 28.8 0.02 . 1 . . . . . . . . 1696 1 287 . 1 1 77 77 LYS HG2 H 1 1.56 0.02 . 2 . . . . . . . . 1696 1 288 . 1 1 77 77 LYS HG3 H 1 1.63 0.02 . 2 . . . . . . . . 1696 1 289 . 1 1 77 77 LYS CE C 13 42.2 0.02 . 1 . . . . . . . . 1696 1 290 . 1 1 77 77 LYS HD2 H 1 1.73 0.02 . 1 . . . . . . . . 1696 1 291 . 1 1 77 77 LYS HD3 H 1 1.73 0.02 . 1 . . . . . . . . 1696 1 292 . 1 1 77 77 LYS HE2 H 1 3.04 0.02 . 1 . . . . . . . . 1696 1 293 . 1 1 77 77 LYS HE3 H 1 3.04 0.02 . 1 . . . . . . . . 1696 1 294 . 1 1 77 77 LYS N N 15 125.8 0.02 . 1 . . . . . . . . 1696 1 295 . 1 1 78 78 LYS H H 1 8.86 0.02 . 1 . . . . . . . . 1696 1 296 . 1 1 78 78 LYS CA C 13 55.6 0.02 . 1 . . . . . . . . 1696 1 297 . 1 1 78 78 LYS HA H 1 4.65 0.02 . 1 . . . . . . . . 1696 1 298 . 1 1 78 78 LYS CB C 13 35.7 0.02 . 1 . . . . . . . . 1696 1 299 . 1 1 78 78 LYS CG C 13 24.9 0.02 . 1 . . . . . . . . 1696 1 300 . 1 1 78 78 LYS HB2 H 1 1.7 0.02 . 2 . . . . . . . . 1696 1 301 . 1 1 78 78 LYS HB3 H 1 1.86 0.02 . 2 . . . . . . . . 1696 1 302 . 1 1 78 78 LYS CD C 13 29.2 0.02 . 1 . . . . . . . . 1696 1 303 . 1 1 78 78 LYS HG2 H 1 1.24 0.02 . 2 . . . . . . . . 1696 1 304 . 1 1 78 78 LYS HG3 H 1 1.49 0.02 . 2 . . . . . . . . 1696 1 305 . 1 1 78 78 LYS CE C 13 42 0.02 . 1 . . . . . . . . 1696 1 306 . 1 1 78 78 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 1696 1 307 . 1 1 78 78 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 1696 1 308 . 1 1 78 78 LYS HE2 H 1 2.9 0.02 . 1 . . . . . . . . 1696 1 309 . 1 1 78 78 LYS HE3 H 1 2.9 0.02 . 1 . . . . . . . . 1696 1 310 . 1 1 78 78 LYS N N 15 121.4 0.02 . 1 . . . . . . . . 1696 1 311 . 1 1 85 85 LYS H H 1 10.22 0.02 . 1 . . . . . . . . 1696 1 312 . 1 1 85 85 LYS CA C 13 58 0.02 . 1 . . . . . . . . 1696 1 313 . 1 1 85 85 LYS HA H 1 4.23 0.02 . 1 . . . . . . . . 1696 1 314 . 1 1 85 85 LYS CB C 13 33.7 0.02 . 1 . . . . . . . . 1696 1 315 . 1 1 85 85 LYS CG C 13 25 0.02 . 1 . . . . . . . . 1696 1 316 . 1 1 85 85 LYS HB2 H 1 1.85 0.02 . 2 . . . . . . . . 1696 1 317 . 1 1 85 85 LYS HB3 H 1 1.98 0.02 . 2 . . . . . . . . 1696 1 318 . 1 1 85 85 LYS CD C 13 29.3 0.02 . 1 . . . . . . . . 1696 1 319 . 1 1 85 85 LYS HG2 H 1 1.62 0.02 . 2 . . . . . . . . 1696 1 320 . 1 1 85 85 LYS HG3 H 1 1.67 0.02 . 2 . . . . . . . . 1696 1 321 . 1 1 85 85 LYS CE C 13 42.2 0.02 . 1 . . . . . . . . 1696 1 322 . 1 1 85 85 LYS HD2 H 1 1.83 0.02 . 1 . . . . . . . . 1696 1 323 . 1 1 85 85 LYS HD3 H 1 1.83 0.02 . 1 . . . . . . . . 1696 1 324 . 1 1 85 85 LYS HE2 H 1 3.12 0.02 . 1 . . . . . . . . 1696 1 325 . 1 1 85 85 LYS HE3 H 1 3.12 0.02 . 1 . . . . . . . . 1696 1 326 . 1 1 85 85 LYS N N 15 119.4 0.02 . 1 . . . . . . . . 1696 1 327 . 1 1 91 91 LYS H H 1 7.81 0.02 . 1 . . . . . . . . 1696 1 328 . 1 1 91 91 LYS CA C 13 57.8 0.02 . 1 . . . . . . . . 1696 1 329 . 1 1 91 91 LYS HA H 1 4.08 0.02 . 1 . . . . . . . . 1696 1 330 . 1 1 91 91 LYS CB C 13 31.4 0.02 . 1 . . . . . . . . 1696 1 331 . 1 1 91 91 LYS CG C 13 23.2 0.02 . 1 . . . . . . . . 1696 1 332 . 1 1 91 91 LYS HB2 H 1 1.56 0.02 . 2 . . . . . . . . 1696 1 333 . 1 1 91 91 LYS HB3 H 1 1.69 0.02 . 2 . . . . . . . . 1696 1 334 . 1 1 91 91 LYS CD C 13 29.1 0.02 . 1 . . . . . . . . 1696 1 335 . 1 1 91 91 LYS HG2 H 1 .07 0.02 . 2 . . . . . . . . 1696 1 336 . 1 1 91 91 LYS HG3 H 1 .83 0.02 . 2 . . . . . . . . 1696 1 337 . 1 1 91 91 LYS CE C 13 42.1 0.02 . 1 . . . . . . . . 1696 1 338 . 1 1 91 91 LYS HD2 H 1 1.43 0.02 . 2 . . . . . . . . 1696 1 339 . 1 1 91 91 LYS HD3 H 1 1.53 0.02 . 2 . . . . . . . . 1696 1 340 . 1 1 91 91 LYS HE2 H 1 2.65 0.02 . 2 . . . . . . . . 1696 1 341 . 1 1 91 91 LYS HE3 H 1 2.74 0.02 . 2 . . . . . . . . 1696 1 342 . 1 1 91 91 LYS N N 15 116.1 0.02 . 1 . . . . . . . . 1696 1 343 . 1 1 96 96 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 1696 1 344 . 1 1 96 96 LEU CA C 13 52.9 0.02 . 1 . . . . . . . . 1696 1 345 . 1 1 96 96 LEU HA H 1 5.22 0.02 . 1 . . . . . . . . 1696 1 346 . 1 1 96 96 LEU CB C 13 43.3 0.02 . 1 . . . . . . . . 1696 1 347 . 1 1 96 96 LEU CG C 13 25.9 0.02 . 1 . . . . . . . . 1696 1 348 . 1 1 96 96 LEU HB2 H 1 1.13 0.02 . 2 . . . . . . . . 1696 1 349 . 1 1 96 96 LEU HB3 H 1 1.7 0.02 . 2 . . . . . . . . 1696 1 350 . 1 1 96 96 LEU CD1 C 13 22.2 0.02 . 2 . . . . . . . . 1696 1 351 . 1 1 96 96 LEU CD2 C 13 25.2 0.02 . 2 . . . . . . . . 1696 1 352 . 1 1 96 96 LEU HG H 1 1.48 0.02 . 1 . . . . . . . . 1696 1 353 . 1 1 96 96 LEU HD11 H 1 .67 0.02 . 2 . . . . . . . . 1696 1 354 . 1 1 96 96 LEU HD12 H 1 .67 0.02 . 2 . . . . . . . . 1696 1 355 . 1 1 96 96 LEU HD13 H 1 .67 0.02 . 2 . . . . . . . . 1696 1 356 . 1 1 96 96 LEU HD21 H 1 .68 0.02 . 2 . . . . . . . . 1696 1 357 . 1 1 96 96 LEU HD22 H 1 .68 0.02 . 2 . . . . . . . . 1696 1 358 . 1 1 96 96 LEU HD23 H 1 .68 0.02 . 2 . . . . . . . . 1696 1 359 . 1 1 96 96 LEU N N 15 126.1 0.02 . 1 . . . . . . . . 1696 1 360 . 1 1 104 104 LYS H H 1 7.86 0.02 . 1 . . . . . . . . 1696 1 361 . 1 1 104 104 LYS CA C 13 54.5 0.02 . 1 . . . . . . . . 1696 1 362 . 1 1 104 104 LYS HA H 1 4.68 0.02 . 1 . . . . . . . . 1696 1 363 . 1 1 104 104 LYS CB C 13 33.4 0.02 . 1 . . . . . . . . 1696 1 364 . 1 1 104 104 LYS CG C 13 24.7 0.02 . 1 . . . . . . . . 1696 1 365 . 1 1 104 104 LYS HB2 H 1 1.76 0.02 . 2 . . . . . . . . 1696 1 366 . 1 1 104 104 LYS HB3 H 1 1.88 0.02 . 2 . . . . . . . . 1696 1 367 . 1 1 104 104 LYS CD C 13 28.8 0.02 . 1 . . . . . . . . 1696 1 368 . 1 1 104 104 LYS HG2 H 1 1.43 0.02 . 2 . . . . . . . . 1696 1 369 . 1 1 104 104 LYS HG3 H 1 1.49 0.02 . 2 . . . . . . . . 1696 1 370 . 1 1 104 104 LYS CE C 13 42.1 0.02 . 1 . . . . . . . . 1696 1 371 . 1 1 104 104 LYS HD2 H 1 1.74 0.02 . 1 . . . . . . . . 1696 1 372 . 1 1 104 104 LYS HD3 H 1 1.74 0.02 . 1 . . . . . . . . 1696 1 373 . 1 1 104 104 LYS HE2 H 1 3.06 0.02 . 1 . . . . . . . . 1696 1 374 . 1 1 104 104 LYS HE3 H 1 3.06 0.02 . 1 . . . . . . . . 1696 1 375 . 1 1 104 104 LYS N N 15 121.4 0.02 . 1 . . . . . . . . 1696 1 376 . 1 1 110 110 LEU H H 1 7.92 0.02 . 1 . . . . . . . . 1696 1 377 . 1 1 110 110 LEU CA C 13 57.9 0.02 . 1 . . . . . . . . 1696 1 378 . 1 1 110 110 LEU HA H 1 3.32 0.02 . 1 . . . . . . . . 1696 1 379 . 1 1 110 110 LEU CB C 13 45.9 0.02 . 1 . . . . . . . . 1696 1 380 . 1 1 110 110 LEU CG C 13 27.3 0.02 . 1 . . . . . . . . 1696 1 381 . 1 1 110 110 LEU HB2 H 1 1.02 0.02 . 2 . . . . . . . . 1696 1 382 . 1 1 110 110 LEU HB3 H 1 1.72 0.02 . 2 . . . . . . . . 1696 1 383 . 1 1 110 110 LEU CD1 C 13 24 0.02 . 2 . . . . . . . . 1696 1 384 . 1 1 110 110 LEU CD2 C 13 27 0.02 . 2 . . . . . . . . 1696 1 385 . 1 1 110 110 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 1696 1 386 . 1 1 110 110 LEU HD11 H 1 .79 0.02 . 2 . . . . . . . . 1696 1 387 . 1 1 110 110 LEU HD12 H 1 .79 0.02 . 2 . . . . . . . . 1696 1 388 . 1 1 110 110 LEU HD13 H 1 .79 0.02 . 2 . . . . . . . . 1696 1 389 . 1 1 110 110 LEU HD21 H 1 .9 0.02 . 2 . . . . . . . . 1696 1 390 . 1 1 110 110 LEU HD22 H 1 .9 0.02 . 2 . . . . . . . . 1696 1 391 . 1 1 110 110 LEU HD23 H 1 .9 0.02 . 2 . . . . . . . . 1696 1 392 . 1 1 110 110 LEU N N 15 115.6 0.02 . 1 . . . . . . . . 1696 1 393 . 1 1 115 115 LEU H H 1 7.77 0.02 . 1 . . . . . . . . 1696 1 394 . 1 1 115 115 LEU CA C 13 53.7 0.02 . 1 . . . . . . . . 1696 1 395 . 1 1 115 115 LEU HA H 1 4.29 0.02 . 1 . . . . . . . . 1696 1 396 . 1 1 115 115 LEU CB C 13 44 0.02 . 1 . . . . . . . . 1696 1 397 . 1 1 115 115 LEU CG C 13 26.5 0.02 . 1 . . . . . . . . 1696 1 398 . 1 1 115 115 LEU HB2 H 1 1.22 0.02 . 2 . . . . . . . . 1696 1 399 . 1 1 115 115 LEU HB3 H 1 1.43 0.02 . 2 . . . . . . . . 1696 1 400 . 1 1 115 115 LEU CD1 C 13 22.7 0.02 . 2 . . . . . . . . 1696 1 401 . 1 1 115 115 LEU CD2 C 13 25.8 0.02 . 2 . . . . . . . . 1696 1 402 . 1 1 115 115 LEU HG H 1 1.22 0.02 . 1 . . . . . . . . 1696 1 403 . 1 1 115 115 LEU HD11 H 1 .74 0.02 . 2 . . . . . . . . 1696 1 404 . 1 1 115 115 LEU HD12 H 1 .74 0.02 . 2 . . . . . . . . 1696 1 405 . 1 1 115 115 LEU HD13 H 1 .74 0.02 . 2 . . . . . . . . 1696 1 406 . 1 1 115 115 LEU HD21 H 1 .48 0.02 . 2 . . . . . . . . 1696 1 407 . 1 1 115 115 LEU HD22 H 1 .48 0.02 . 2 . . . . . . . . 1696 1 408 . 1 1 115 115 LEU HD23 H 1 .48 0.02 . 2 . . . . . . . . 1696 1 409 . 1 1 115 115 LEU N N 15 115.4 0.02 . 1 . . . . . . . . 1696 1 410 . 1 1 117 117 LYS H H 1 7.52 0.02 . 1 . . . . . . . . 1696 1 411 . 1 1 117 117 LYS CA C 13 54 0.02 . 1 . . . . . . . . 1696 1 412 . 1 1 117 117 LYS HA H 1 5.1 0.02 . 1 . . . . . . . . 1696 1 413 . 1 1 117 117 LYS CB C 13 35.5 0.02 . 1 . . . . . . . . 1696 1 414 . 1 1 117 117 LYS CG C 13 24.8 0.02 . 1 . . . . . . . . 1696 1 415 . 1 1 117 117 LYS HB2 H 1 1.82 0.02 . 2 . . . . . . . . 1696 1 416 . 1 1 117 117 LYS HB3 H 1 1.89 0.02 . 2 . . . . . . . . 1696 1 417 . 1 1 117 117 LYS CD C 13 29.6 0.02 . 1 . . . . . . . . 1696 1 418 . 1 1 117 117 LYS HG2 H 1 1.21 0.02 . 2 . . . . . . . . 1696 1 419 . 1 1 117 117 LYS HG3 H 1 1.32 0.02 . 2 . . . . . . . . 1696 1 420 . 1 1 117 117 LYS CE C 13 41.8 0.02 . 1 . . . . . . . . 1696 1 421 . 1 1 117 117 LYS HD2 H 1 1.6 0.02 . 1 . . . . . . . . 1696 1 422 . 1 1 117 117 LYS HD3 H 1 1.6 0.02 . 1 . . . . . . . . 1696 1 423 . 1 1 117 117 LYS HE2 H 1 2.52 0.02 . 2 . . . . . . . . 1696 1 424 . 1 1 117 117 LYS HE3 H 1 2.63 0.02 . 2 . . . . . . . . 1696 1 425 . 1 1 117 117 LYS N N 15 117.4 0.02 . 1 . . . . . . . . 1696 1 426 . 1 1 123 123 LYS H H 1 8.7 0.02 . 1 . . . . . . . . 1696 1 427 . 1 1 123 123 LYS CA C 13 56.3 0.02 . 1 . . . . . . . . 1696 1 428 . 1 1 123 123 LYS HA H 1 4.02 0.02 . 1 . . . . . . . . 1696 1 429 . 1 1 123 123 LYS CB C 13 32.1 0.02 . 1 . . . . . . . . 1696 1 430 . 1 1 123 123 LYS CG C 13 24.9 0.02 . 1 . . . . . . . . 1696 1 431 . 1 1 123 123 LYS HB2 H 1 1.78 0.02 . 1 . . . . . . . . 1696 1 432 . 1 1 123 123 LYS HB3 H 1 1.78 0.02 . 1 . . . . . . . . 1696 1 433 . 1 1 123 123 LYS CD C 13 29.5 0.02 . 1 . . . . . . . . 1696 1 434 . 1 1 123 123 LYS HG2 H 1 1.33 0.02 . 2 . . . . . . . . 1696 1 435 . 1 1 123 123 LYS HG3 H 1 1.52 0.02 . 2 . . . . . . . . 1696 1 436 . 1 1 123 123 LYS CE C 13 42 0.02 . 1 . . . . . . . . 1696 1 437 . 1 1 123 123 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 1696 1 438 . 1 1 123 123 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 1696 1 439 . 1 1 123 123 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 1696 1 440 . 1 1 123 123 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 1696 1 441 . 1 1 123 123 LYS N N 15 125.4 0.02 . 1 . . . . . . . . 1696 1 442 . 1 1 132 132 LEU H H 1 8.04 0.02 . 1 . . . . . . . . 1696 1 443 . 1 1 132 132 LEU CA C 13 58.8 0.02 . 1 . . . . . . . . 1696 1 444 . 1 1 132 132 LEU HA H 1 3.95 0.02 . 1 . . . . . . . . 1696 1 445 . 1 1 132 132 LEU CB C 13 41.5 0.02 . 1 . . . . . . . . 1696 1 446 . 1 1 132 132 LEU CG C 13 28.8 0.02 . 1 . . . . . . . . 1696 1 447 . 1 1 132 132 LEU HB2 H 1 1.44 0.02 . 2 . . . . . . . . 1696 1 448 . 1 1 132 132 LEU HB3 H 1 1.92 0.02 . 2 . . . . . . . . 1696 1 449 . 1 1 132 132 LEU CD1 C 13 23.8 0.02 . 2 . . . . . . . . 1696 1 450 . 1 1 132 132 LEU CD2 C 13 26.4 0.02 . 2 . . . . . . . . 1696 1 451 . 1 1 132 132 LEU HG H 1 1.86 0.02 . 1 . . . . . . . . 1696 1 452 . 1 1 132 132 LEU HD11 H 1 .97 0.02 . 2 . . . . . . . . 1696 1 453 . 1 1 132 132 LEU HD12 H 1 .97 0.02 . 2 . . . . . . . . 1696 1 454 . 1 1 132 132 LEU HD13 H 1 .97 0.02 . 2 . . . . . . . . 1696 1 455 . 1 1 132 132 LEU HD21 H 1 .79 0.02 . 2 . . . . . . . . 1696 1 456 . 1 1 132 132 LEU HD22 H 1 .79 0.02 . 2 . . . . . . . . 1696 1 457 . 1 1 132 132 LEU HD23 H 1 .79 0.02 . 2 . . . . . . . . 1696 1 458 . 1 1 132 132 LEU N N 15 118.3 0.02 . 1 . . . . . . . . 1696 1 459 . 1 1 134 134 LYS H H 1 7.96 0.02 . 1 . . . . . . . . 1696 1 460 . 1 1 134 134 LYS CA C 13 60.1 0.02 . 1 . . . . . . . . 1696 1 461 . 1 1 134 134 LYS HA H 1 4.13 0.02 . 1 . . . . . . . . 1696 1 462 . 1 1 134 134 LYS CB C 13 32 0.02 . 1 . . . . . . . . 1696 1 463 . 1 1 134 134 LYS CG C 13 25.1 0.02 . 1 . . . . . . . . 1696 1 464 . 1 1 134 134 LYS HB2 H 1 2.02 0.02 . 1 . . . . . . . . 1696 1 465 . 1 1 134 134 LYS HB3 H 1 2.02 0.02 . 1 . . . . . . . . 1696 1 466 . 1 1 134 134 LYS CD C 13 29.3 0.02 . 1 . . . . . . . . 1696 1 467 . 1 1 134 134 LYS HG2 H 1 1.43 0.02 . 2 . . . . . . . . 1696 1 468 . 1 1 134 134 LYS HG3 H 1 1.64 0.02 . 2 . . . . . . . . 1696 1 469 . 1 1 134 134 LYS CE C 13 42 0.02 . 1 . . . . . . . . 1696 1 470 . 1 1 134 134 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 1696 1 471 . 1 1 134 134 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 1696 1 472 . 1 1 134 134 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 1696 1 473 . 1 1 134 134 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 1696 1 474 . 1 1 134 134 LYS N N 15 122.4 0.02 . 1 . . . . . . . . 1696 1 475 . 1 1 140 140 LYS H H 1 8.13 0.02 . 1 . . . . . . . . 1696 1 476 . 1 1 140 140 LYS CA C 13 59.7 0.02 . 1 . . . . . . . . 1696 1 477 . 1 1 140 140 LYS HA H 1 3.44 0.02 . 1 . . . . . . . . 1696 1 478 . 1 1 140 140 LYS CB C 13 32.5 0.02 . 1 . . . . . . . . 1696 1 479 . 1 1 140 140 LYS CG C 13 24.4 0.02 . 1 . . . . . . . . 1696 1 480 . 1 1 140 140 LYS HB2 H 1 .81 0.02 . 2 . . . . . . . . 1696 1 481 . 1 1 140 140 LYS HB3 H 1 1.26 0.02 . 2 . . . . . . . . 1696 1 482 . 1 1 140 140 LYS CD C 13 29.3 0.02 . 1 . . . . . . . . 1696 1 483 . 1 1 140 140 LYS HG2 H 1 .08 0.02 . 2 . . . . . . . . 1696 1 484 . 1 1 140 140 LYS HG3 H 1 .43 0.02 . 2 . . . . . . . . 1696 1 485 . 1 1 140 140 LYS CE C 13 41.2 0.02 . 1 . . . . . . . . 1696 1 486 . 1 1 140 140 LYS HD2 H 1 .84 0.02 . 2 . . . . . . . . 1696 1 487 . 1 1 140 140 LYS HD3 H 1 .99 0.02 . 2 . . . . . . . . 1696 1 488 . 1 1 140 140 LYS HE2 H 1 1.95 0.02 . 2 . . . . . . . . 1696 1 489 . 1 1 140 140 LYS HE3 H 1 2.09 0.02 . 2 . . . . . . . . 1696 1 490 . 1 1 140 140 LYS N N 15 117.3 0.02 . 1 . . . . . . . . 1696 1 491 . 1 1 141 141 LYS H H 1 7.75 0.02 . 1 . . . . . . . . 1696 1 492 . 1 1 141 141 LYS CA C 13 59.3 0.02 . 1 . . . . . . . . 1696 1 493 . 1 1 141 141 LYS HA H 1 3.97 0.02 . 1 . . . . . . . . 1696 1 494 . 1 1 141 141 LYS CB C 13 32.5 0.02 . 1 . . . . . . . . 1696 1 495 . 1 1 141 141 LYS CG C 13 24.8 0.02 . 1 . . . . . . . . 1696 1 496 . 1 1 141 141 LYS HB2 H 1 1.95 0.02 . 1 . . . . . . . . 1696 1 497 . 1 1 141 141 LYS HB3 H 1 1.95 0.02 . 1 . . . . . . . . 1696 1 498 . 1 1 141 141 LYS CD C 13 29.2 0.02 . 1 . . . . . . . . 1696 1 499 . 1 1 141 141 LYS HG2 H 1 1.46 0.02 . 2 . . . . . . . . 1696 1 500 . 1 1 141 141 LYS HG3 H 1 1.5 0.02 . 2 . . . . . . . . 1696 1 501 . 1 1 141 141 LYS CE C 13 42 0.02 . 1 . . . . . . . . 1696 1 502 . 1 1 141 141 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 1696 1 503 . 1 1 141 141 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 1696 1 504 . 1 1 141 141 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 1696 1 505 . 1 1 141 141 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 1696 1 506 . 1 1 141 141 LYS N N 15 122.4 0.02 . 1 . . . . . . . . 1696 1 507 . 1 1 143 143 LYS H H 1 7.79 0.02 . 1 . . . . . . . . 1696 1 508 . 1 1 143 143 LYS CA C 13 56.9 0.02 . 1 . . . . . . . . 1696 1 509 . 1 1 143 143 LYS HA H 1 3.56 0.02 . 1 . . . . . . . . 1696 1 510 . 1 1 143 143 LYS CB C 13 29.8 0.02 . 1 . . . . . . . . 1696 1 511 . 1 1 143 143 LYS CG C 13 25 0.02 . 1 . . . . . . . . 1696 1 512 . 1 1 143 143 LYS HB2 H 1 1.82 0.02 . 2 . . . . . . . . 1696 1 513 . 1 1 143 143 LYS HB3 H 1 2.07 0.02 . 2 . . . . . . . . 1696 1 514 . 1 1 143 143 LYS CD C 13 29.3 0.02 . 1 . . . . . . . . 1696 1 515 . 1 1 143 143 LYS HG2 H 1 1.4 0.02 . 2 . . . . . . . . 1696 1 516 . 1 1 143 143 LYS HG3 H 1 1.42 0.02 . 2 . . . . . . . . 1696 1 517 . 1 1 143 143 LYS CE C 13 42.3 0.02 . 1 . . . . . . . . 1696 1 518 . 1 1 143 143 LYS HD2 H 1 1.73 0.02 . 2 . . . . . . . . 1696 1 519 . 1 1 143 143 LYS HD3 H 1 1.78 0.02 . 2 . . . . . . . . 1696 1 520 . 1 1 143 143 LYS HE2 H 1 3.07 0.02 . 1 . . . . . . . . 1696 1 521 . 1 1 143 143 LYS HE3 H 1 3.07 0.02 . 1 . . . . . . . . 1696 1 522 . 1 1 143 143 LYS N N 15 116.8 0.02 . 1 . . . . . . . . 1696 1 523 . 1 1 144 144 LEU H H 1 7.55 0.02 . 1 . . . . . . . . 1696 1 524 . 1 1 144 144 LEU CA C 13 55.2 0.02 . 1 . . . . . . . . 1696 1 525 . 1 1 144 144 LEU HA H 1 4.18 0.02 . 1 . . . . . . . . 1696 1 526 . 1 1 144 144 LEU CB C 13 44.5 0.02 . 1 . . . . . . . . 1696 1 527 . 1 1 144 144 LEU CG C 13 26.9 0.02 . 1 . . . . . . . . 1696 1 528 . 1 1 144 144 LEU HB2 H 1 1.37 0.02 . 2 . . . . . . . . 1696 1 529 . 1 1 144 144 LEU HB3 H 1 1.53 0.02 . 2 . . . . . . . . 1696 1 530 . 1 1 144 144 LEU CD1 C 13 23 0.02 . 2 . . . . . . . . 1696 1 531 . 1 1 144 144 LEU CD2 C 13 25.5 0.02 . 2 . . . . . . . . 1696 1 532 . 1 1 144 144 LEU HG H 1 1.69 0.02 . 1 . . . . . . . . 1696 1 533 . 1 1 144 144 LEU HD11 H 1 1.02 0.02 . 2 . . . . . . . . 1696 1 534 . 1 1 144 144 LEU HD12 H 1 1.02 0.02 . 2 . . . . . . . . 1696 1 535 . 1 1 144 144 LEU HD13 H 1 1.02 0.02 . 2 . . . . . . . . 1696 1 536 . 1 1 144 144 LEU HD21 H 1 .86 0.02 . 2 . . . . . . . . 1696 1 537 . 1 1 144 144 LEU HD22 H 1 .86 0.02 . 2 . . . . . . . . 1696 1 538 . 1 1 144 144 LEU HD23 H 1 .86 0.02 . 2 . . . . . . . . 1696 1 539 . 1 1 144 144 LEU N N 15 117.1 0.02 . 1 . . . . . . . . 1696 1 stop_ save_