data_16498 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16498 _Entry.Title ; Solution NMR structure of CLOLEP_01837 (fragment 61-160) from Clostridium leptum. Northeast Structural Genomics Consortium Target QlR8A. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-15 _Entry.Accession_date 2009-09-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Theresa Ramelot . A. . 16498 2 Dan Lee . . . 16498 3 Colleen Ciccosanti . . . 16498 4 Mei Jiang . . . 16498 5 R Nair . . . 16498 6 Burkhard Rost . . . 16498 7 Thomas Acton . B. . 16498 8 Rong Xiao . . . 16498 9 John Everett . K. . 16498 10 Gaetano Montelione . T. . 16498 11 Michael Kennedy . A. . 16498 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16498 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alpha beta' . 16498 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16498 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 16498 '15N chemical shifts' 113 16498 '1H chemical shifts' 746 16498 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-06-03 2009-09-15 update BMRB 'edit assembly name' 16498 1 . . 2009-10-16 2009-09-15 original author 'original release' 16498 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KOB 'BMRB Entry Tracking System' 16498 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16498 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of CLOLEP_01837 (fragment 61-160) from Clostridium leptum. Northeast Structural Genomics Consortium Target QlR8A. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Theresa Ramelot . A. . 16498 1 2 Dan Lee . . . 16498 1 3 Colleen Ciccosanti . . . 16498 1 4 Mei Jiang . . . 16498 1 5 R Nair . . . 16498 1 6 Burkhard Rost . . . 16498 1 7 Thomas Acton . B. . 16498 1 8 Rong Xiao . . . 16498 1 9 John Everett . K. . 16498 1 10 Gaetano Montelione . T. . 16498 1 11 Michael Kennedy . A. . 16498 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16498 _Assembly.ID 1 _Assembly.Name CLOLEP_01837 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12000 _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 QlR8A 1 $entity A . yes native no no . . . 16498 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16498 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name QlR8A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RDSFGDWAEKFLKSKEADGV SVSQLNSYKNYCRNHLSPLY MKSLSEILPADIQSIINETK LAKNTLKAIRNTASQIFRLA IENRAIDFNPADYVRIPKIA LEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details '8 non-native residues at C-terminus (LEHHHHHH)' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'fragment 61-160' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KOB . "Solution Nmr Structure Of Clolep_01837 (Fragment 61-160) From Clostridium Leptum. Northeast Structural Genomics Consortium Targ" . . . . . 100.00 108 100.00 100.00 9.48e-73 . . . . 16498 1 2 no GB EDO61441 . "site-specific recombinase, phage integrase family [ [[Clostridium] leptum DSM 753]" . . . . . 96.30 393 98.08 98.08 1.31e-63 . . . . 16498 1 3 no REF WP_003530379 . "hypothetical protein [[Clostridium] leptum]" . . . . . 96.30 393 98.08 98.08 1.31e-63 . . . . 16498 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID unknown 16498 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 61 ARG . 16498 1 2 62 ASP . 16498 1 3 63 SER . 16498 1 4 64 PHE . 16498 1 5 65 GLY . 16498 1 6 66 ASP . 16498 1 7 67 TRP . 16498 1 8 68 ALA . 16498 1 9 69 GLU . 16498 1 10 70 LYS . 16498 1 11 71 PHE . 16498 1 12 72 LEU . 16498 1 13 73 LYS . 16498 1 14 74 SER . 16498 1 15 75 LYS . 16498 1 16 76 GLU . 16498 1 17 77 ALA . 16498 1 18 78 ASP . 16498 1 19 79 GLY . 16498 1 20 80 VAL . 16498 1 21 81 SER . 16498 1 22 82 VAL . 16498 1 23 83 SER . 16498 1 24 84 GLN . 16498 1 25 85 LEU . 16498 1 26 86 ASN . 16498 1 27 87 SER . 16498 1 28 88 TYR . 16498 1 29 89 LYS . 16498 1 30 90 ASN . 16498 1 31 91 TYR . 16498 1 32 92 CYS . 16498 1 33 93 ARG . 16498 1 34 94 ASN . 16498 1 35 95 HIS . 16498 1 36 96 LEU . 16498 1 37 97 SER . 16498 1 38 98 PRO . 16498 1 39 99 LEU . 16498 1 40 100 TYR . 16498 1 41 101 MET . 16498 1 42 102 LYS . 16498 1 43 103 SER . 16498 1 44 104 LEU . 16498 1 45 105 SER . 16498 1 46 106 GLU . 16498 1 47 107 ILE . 16498 1 48 108 LEU . 16498 1 49 109 PRO . 16498 1 50 110 ALA . 16498 1 51 111 ASP . 16498 1 52 112 ILE . 16498 1 53 113 GLN . 16498 1 54 114 SER . 16498 1 55 115 ILE . 16498 1 56 116 ILE . 16498 1 57 117 ASN . 16498 1 58 118 GLU . 16498 1 59 119 THR . 16498 1 60 120 LYS . 16498 1 61 121 LEU . 16498 1 62 122 ALA . 16498 1 63 123 LYS . 16498 1 64 124 ASN . 16498 1 65 125 THR . 16498 1 66 126 LEU . 16498 1 67 127 LYS . 16498 1 68 128 ALA . 16498 1 69 129 ILE . 16498 1 70 130 ARG . 16498 1 71 131 ASN . 16498 1 72 132 THR . 16498 1 73 133 ALA . 16498 1 74 134 SER . 16498 1 75 135 GLN . 16498 1 76 136 ILE . 16498 1 77 137 PHE . 16498 1 78 138 ARG . 16498 1 79 139 LEU . 16498 1 80 140 ALA . 16498 1 81 141 ILE . 16498 1 82 142 GLU . 16498 1 83 143 ASN . 16498 1 84 144 ARG . 16498 1 85 145 ALA . 16498 1 86 146 ILE . 16498 1 87 147 ASP . 16498 1 88 148 PHE . 16498 1 89 149 ASN . 16498 1 90 150 PRO . 16498 1 91 151 ALA . 16498 1 92 152 ASP . 16498 1 93 153 TYR . 16498 1 94 154 VAL . 16498 1 95 155 ARG . 16498 1 96 156 ILE . 16498 1 97 157 PRO . 16498 1 98 158 LYS . 16498 1 99 159 ILE . 16498 1 100 160 ALA . 16498 1 101 161 LEU . 16498 1 102 162 GLU . 16498 1 103 163 HIS . 16498 1 104 164 HIS . 16498 1 105 165 HIS . 16498 1 106 166 HIS . 16498 1 107 167 HIS . 16498 1 108 168 HIS . 16498 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 . ARG 1 1 16498 1 . ASP 2 2 16498 1 . SER 3 3 16498 1 . PHE 4 4 16498 1 . GLY 5 5 16498 1 . ASP 6 6 16498 1 . TRP 7 7 16498 1 . ALA 8 8 16498 1 . GLU 9 9 16498 1 . LYS 10 10 16498 1 . PHE 11 11 16498 1 . LEU 12 12 16498 1 . LYS 13 13 16498 1 . SER 14 14 16498 1 . LYS 15 15 16498 1 . GLU 16 16 16498 1 . ALA 17 17 16498 1 . ASP 18 18 16498 1 . GLY 19 19 16498 1 . VAL 20 20 16498 1 . SER 21 21 16498 1 . VAL 22 22 16498 1 . SER 23 23 16498 1 . GLN 24 24 16498 1 . LEU 25 25 16498 1 . ASN 26 26 16498 1 . SER 27 27 16498 1 . TYR 28 28 16498 1 . LYS 29 29 16498 1 . ASN 30 30 16498 1 . TYR 31 31 16498 1 . CYS 32 32 16498 1 . ARG 33 33 16498 1 . ASN 34 34 16498 1 . HIS 35 35 16498 1 . LEU 36 36 16498 1 . SER 37 37 16498 1 . PRO 38 38 16498 1 . LEU 39 39 16498 1 . TYR 40 40 16498 1 . MET 41 41 16498 1 . LYS 42 42 16498 1 . SER 43 43 16498 1 . LEU 44 44 16498 1 . SER 45 45 16498 1 . GLU 46 46 16498 1 . ILE 47 47 16498 1 . LEU 48 48 16498 1 . PRO 49 49 16498 1 . ALA 50 50 16498 1 . ASP 51 51 16498 1 . ILE 52 52 16498 1 . GLN 53 53 16498 1 . SER 54 54 16498 1 . ILE 55 55 16498 1 . ILE 56 56 16498 1 . ASN 57 57 16498 1 . GLU 58 58 16498 1 . THR 59 59 16498 1 . LYS 60 60 16498 1 . LEU 61 61 16498 1 . ALA 62 62 16498 1 . LYS 63 63 16498 1 . ASN 64 64 16498 1 . THR 65 65 16498 1 . LEU 66 66 16498 1 . LYS 67 67 16498 1 . ALA 68 68 16498 1 . ILE 69 69 16498 1 . ARG 70 70 16498 1 . ASN 71 71 16498 1 . THR 72 72 16498 1 . ALA 73 73 16498 1 . SER 74 74 16498 1 . GLN 75 75 16498 1 . ILE 76 76 16498 1 . PHE 77 77 16498 1 . ARG 78 78 16498 1 . LEU 79 79 16498 1 . ALA 80 80 16498 1 . ILE 81 81 16498 1 . GLU 82 82 16498 1 . ASN 83 83 16498 1 . ARG 84 84 16498 1 . ALA 85 85 16498 1 . ILE 86 86 16498 1 . ASP 87 87 16498 1 . PHE 88 88 16498 1 . ASN 89 89 16498 1 . PRO 90 90 16498 1 . ALA 91 91 16498 1 . ASP 92 92 16498 1 . TYR 93 93 16498 1 . VAL 94 94 16498 1 . ARG 95 95 16498 1 . ILE 96 96 16498 1 . PRO 97 97 16498 1 . LYS 98 98 16498 1 . ILE 99 99 16498 1 . ALA 100 100 16498 1 . LEU 101 101 16498 1 . GLU 102 102 16498 1 . HIS 103 103 16498 1 . HIS 104 104 16498 1 . HIS 105 105 16498 1 . HIS 106 106 16498 1 . HIS 107 107 16498 1 . HIS 108 108 16498 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 16498 _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 $entity . 1535 organism . 'Clostridium leptum' 'Clostridium leptum' . . Bacteria . Clostridium leptum . . . . . . . . . . . . . . . . CLOLEP_01837 . 'uncharacterized protein' . . 16498 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 16498 _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 $entity . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21(DE3) pMGK' . . . . . . . . . . . . . . . pET21-23C . . . . . . 16498 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_sample _Sample.Entry_ID 16498 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 16498 1 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 16498 1 3 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 16498 1 4 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16498 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16498 1 6 protein '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.9 . . mM 0.05 . . . 16498 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16498 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16498 1 stop_ save_ save_NC_sample_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode NC_sample_in_D2O _Sample.Entry_ID 16498 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 16498 2 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 16498 2 3 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 16498 2 4 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16498 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16498 2 6 protein '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.9 . . mM 0.05 . . . 16498 2 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16498 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16498 _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 'ionic strength' 200 10 mM 16498 1 pH 6.5 0.1 pH 16498 1 pressure 1 . atm 16498 1 temperature 298 0.5 K 16498 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16498 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2008 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16498 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16498 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16498 _Software.ID 2 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16498 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16498 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16498 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16498 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16498 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16498 _Software.ID 4 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16498 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16498 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16498 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.20 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16498 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16498 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16498 _Software.ID 6 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16498 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16498 6 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16498 _Software.ID 7 _Software.Name PSVS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16498 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 16498 7 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16498 _Software.ID 8 _Software.Name AutoAssign _Software.Version 2.3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16498 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16498 8 stop_ save_ save_PDBStat _Software.Sf_category software _Software.Sf_framecode PDBStat _Software.Entry_ID 16498 _Software.ID 9 _Software.Name PDBStat _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(PDBStat) R. Tejero, G.T. Montelione' . . 16498 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16498 9 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16498 _Software.ID 10 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16498 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16498 10 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16498 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16498 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 16498 _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 Varian INOVA . 600 . . . 16498 1 2 spectrometer_2 Bruker AvanceIII . 850 . . . 16498 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 16498 _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 1H-15N HSQC' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16498 1 2 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16498 1 3 '3D 1H-15N NOESY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16498 1 4 '3D 1H-13C NOESY aliph' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16498 1 5 '3D 1H-13C NOESY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16498 1 6 '3D HNCO' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16498 1 7 '3D HNCA' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16498 1 8 '3D HN(CO)CA' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16498 1 9 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16498 1 10 '3D HNCACB' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16498 1 11 '3D HBHA(CO)NH' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16498 1 12 '3D HCCH-TOCSY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16498 1 13 '3D HCCH-COSY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16498 1 14 '3D (H)CCH-TOCSY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16498 1 15 '4D HCCH NOESY' yes . . . . . . . . . . 2 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16498 1 16 '3D 1H-13C NOESY arom' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16498 1 17 '2D 1H-15N HSQC edHN2' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16498 1 18 '2D 1H-15N HSQC swN' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16498 1 19 '2D 1H-13C HSQC arom ct' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16498 1 20 '2D 1H-13C HSQC arom no ct' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16498 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/5_Nhsqc_hires_5_25_09.850mhz/ . . . . . . . 16498 1 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/5_Nhsqc_hires_5_25_09.850mhz/ . . . . . . . 16498 1 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/5_Nhsqc_hires_5_25_09.850mhz/ . . . . . . . 16498 1 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/5_Nhsqc_hires_5_25_09.850mhz/ . . . . . . . 16498 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/10_Chsqc_5_21_09.850mhz/ . . . . . . . 16498 2 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/10_Chsqc_5_21_09.850mhz/ . . . . . . . 16498 2 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/10_Chsqc_5_21_09.850mhz/ . . . . . . . 16498 2 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/10_Chsqc_5_21_09.850mhz/ . . . . . . . 16498 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/50_Nnoesy_5_28_09.850mhz/ . . . . . . . 16498 3 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/50_Nnoesy_5_28_09.850mhz/ . . . . . . . 16498 3 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/50_Nnoesy_5_28_09.850mhz/ . . . . . . . 16498 3 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/50_Nnoesy_5_28_09.850mhz/ . . . . . . . 16498 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 1H-13C 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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/52_Cnoesy_6_8_09.850mhz/ . . . . . . . 16498 4 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/52_Cnoesy_6_8_09.850mhz/ . . . . . . . 16498 4 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/52_Cnoesy_6_8_09.850mhz/ . . . . . . . 16498 4 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/52_Cnoesy_6_8_09.850mhz/ . . . . . . . 16498 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 5 _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hnco_6_1_09.fid/ . . . . . . . 16498 5 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hnco_6_1_09.fid/ . . . . . . . 16498 5 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hnco_6_1_09.fid/ . . . . . . . 16498 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCA' _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hnca_6_2_09.fid/ . . . . . . . 16498 6 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hnca_6_2_09.fid/ . . . . . . . 16498 6 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hnca_6_2_09.fid/ . . . . . . . 16498 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HN(CO)CA' _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hncoca_6_2_09.fid/ . . . . . . . 16498 7 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hncoca_6_2_09.fid/ . . . . . . . 16498 7 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hncoca_6_2_09.fid/ . . . . . . . 16498 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D CBCA(CO)NH' _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_cbcaconh_6_9_09.fid/ . . . . . . . 16498 8 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_cbcaconh_6_9_09.fid/ . . . . . . . 16498 8 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_cbcaconh_6_9_09.fid/ . . . . . . . 16498 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 9 _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hncacb_6_6_09.fid/ . . . . . . . 16498 9 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hncacb_6_6_09.fid/ . . . . . . . 16498 9 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hncacb_6_6_09.fid/ . . . . . . . 16498 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HBHA(CO)NH' _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hbha_conh_6_19_09.fid/ . . . . . . . 16498 10 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hbha_conh_6_19_09.fid/ . . . . . . . 16498 10 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hbha_conh_6_19_09.fid/ . . . . . . . 16498 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hcch_tocsy_6_25_09.fid/ . . . . . . . 16498 11 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hcch_tocsy_6_25_09.fid/ . . . . . . . 16498 11 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_hcch_tocsy_6_25_09.fid/ . . . . . . . 16498 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D HCCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/40_hcch_cosy_6_16_09.850mhz/ . . . . . . . 16498 12 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/40_hcch_cosy_6_16_09.850mhz/ . . . . . . . 16498 12 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/40_hcch_cosy_6_16_09.850mhz/ . . . . . . . 16498 12 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/40_hcch_cosy_6_16_09.850mhz/ . . . . . . . 16498 12 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '4D HCCH 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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_d2o_4D_CCnoesy_7_20_09.fid/ . . . . . . . 16498 13 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_d2o_4D_CCnoesy_7_20_09.fid/ . . . . . . . 16498 13 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_d2o_4D_CCnoesy_7_20_09.fid/ . . . . . . . 16498 13 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D 1H-13C NOESY arom' _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_Cnoesy_arom_7_1_09.fid/ . . . . . . . 16498 14 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_Cnoesy_arom_7_1_09.fid/ . . . . . . . 16498 14 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/qlr8a_Cnoesy_arom_7_1_09.fid/ . . . . . . . 16498 14 stop_ save_ save_NMR_spectrometer_expt_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_15 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '2D 1H-15N HSQC edHN2' _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/7_Nhsqc_edNH2_5_21_09.850mhz/ . . . . . . . 16498 15 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/7_Nhsqc_edNH2_5_21_09.850mhz/ . . . . . . . 16498 15 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/7_Nhsqc_edNH2_5_21_09.850mhz/ . . . . . . . 16498 15 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/7_Nhsqc_edNH2_5_21_09.850mhz/ . . . . . . . 16498 15 stop_ save_ save_NMR_spectrometer_expt_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_16 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '2D 1H-15N HSQC swN' _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/9_Nhsqc_swN_150p_5_21_09.850mhz/ . . . . . . . 16498 16 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/9_Nhsqc_swN_150p_5_21_09.850mhz/ . . . . . . . 16498 16 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/9_Nhsqc_swN_150p_5_21_09.850mhz/ . . . . . . . 16498 16 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/9_Nhsqc_swN_150p_5_21_09.850mhz/ . . . . . . . 16498 16 stop_ save_ save_NMR_spectrometer_expt_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_17 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '2D 1H-13C HSQC arom ct' _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/12_Chsqc_arom_ct_5_22_09.850mhz/ . . . . . . . 16498 17 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/12_Chsqc_arom_ct_5_22_09.850mhz/ . . . . . . . 16498 17 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/12_Chsqc_arom_ct_5_22_09.850mhz/ . . . . . . . 16498 17 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/12_Chsqc_arom_ct_5_22_09.850mhz/ . . . . . . . 16498 17 stop_ save_ save_NMR_spectrometer_expt_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_18 _NMR_spec_expt.Entry_ID 16498 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '2D 1H-13C HSQC arom no ct' _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/13_Chsqc_arom_noct_5_21_09.850mhz/ . . . . . . . 16498 18 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/13_Chsqc_arom_noct_5_21_09.850mhz/ . . . . . . . 16498 18 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/13_Chsqc_arom_noct_5_21_09.850mhz/ . . . . . . . 16498 18 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16498/timedomain_data/nesgQlR8A_bmrb16498_pdb2kob_fids/13_Chsqc_arom_noct_5_21_09.850mhz/ . . . . . . . 16498 18 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16498 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 16498 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16498 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16498 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16498 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 16498 1 3 '3D 1H-15N NOESY' . . . 16498 1 4 '3D 1H-13C NOESY aliph' . . . 16498 1 5 '3D HNCO' . . . 16498 1 15 '3D 1H-13C NOESY arom' . . . 16498 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 6 $SPARKY . . 16498 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 ARG H H 1 8.76 0.02 . 1 . . . . 61 ARG H . 16498 1 2 . 1 1 1 1 ARG HA H 1 4.46 0.02 . 1 . . . . 61 ARG HA . 16498 1 3 . 1 1 1 1 ARG HB2 H 1 1.86 0.02 . 2 . . . . 61 ARG HB2 . 16498 1 4 . 1 1 1 1 ARG HB3 H 1 1.96 0.02 . 2 . . . . 61 ARG HB3 . 16498 1 5 . 1 1 1 1 ARG HD2 H 1 3.25 0.02 . 2 . . . . 61 ARG HD2 . 16498 1 6 . 1 1 1 1 ARG HD3 H 1 3.25 0.02 . 2 . . . . 61 ARG HD3 . 16498 1 7 . 1 1 1 1 ARG HG2 H 1 1.70 0.02 . 2 . . . . 61 ARG HG2 . 16498 1 8 . 1 1 1 1 ARG HG3 H 1 1.70 0.02 . 2 . . . . 61 ARG HG3 . 16498 1 9 . 1 1 1 1 ARG C C 13 175.6 0.2 . 1 . . . . 61 ARG C . 16498 1 10 . 1 1 1 1 ARG CA C 13 56.2 0.2 . 1 . . . . 61 ARG CA . 16498 1 11 . 1 1 1 1 ARG CB C 13 30.6 0.2 . 1 . . . . 61 ARG CB . 16498 1 12 . 1 1 1 1 ARG CD C 13 43.4 0.2 . 1 . . . . 61 ARG CD . 16498 1 13 . 1 1 1 1 ARG CG C 13 27.2 0.2 . 1 . . . . 61 ARG CG . 16498 1 14 . 1 1 1 1 ARG N N 15 120.9 0.2 . 1 . . . . 61 ARG N . 16498 1 15 . 1 1 2 2 ASP H H 1 8.76 0.02 . 1 . . . . 62 ASP H . 16498 1 16 . 1 1 2 2 ASP HA H 1 4.81 0.02 . 1 . . . . 62 ASP HA . 16498 1 17 . 1 1 2 2 ASP HB2 H 1 2.90 0.02 . 2 . . . . 62 ASP HB2 . 16498 1 18 . 1 1 2 2 ASP HB3 H 1 2.90 0.02 . 2 . . . . 62 ASP HB3 . 16498 1 19 . 1 1 2 2 ASP C C 13 175.8 0.2 . 1 . . . . 62 ASP C . 16498 1 20 . 1 1 2 2 ASP CA C 13 54.8 0.2 . 1 . . . . 62 ASP CA . 16498 1 21 . 1 1 2 2 ASP CB C 13 41.6 0.2 . 1 . . . . 62 ASP CB . 16498 1 22 . 1 1 2 2 ASP N N 15 120.9 0.2 . 1 . . . . 62 ASP N . 16498 1 23 . 1 1 3 3 SER H H 1 8.71 0.02 . 1 . . . . 63 SER H . 16498 1 24 . 1 1 3 3 SER HA H 1 4.97 0.02 . 1 . . . . 63 SER HA . 16498 1 25 . 1 1 3 3 SER HB2 H 1 3.99 0.02 . 2 . . . . 63 SER HB2 . 16498 1 26 . 1 1 3 3 SER HB3 H 1 4.36 0.02 . 2 . . . . 63 SER HB3 . 16498 1 27 . 1 1 3 3 SER C C 13 175.6 0.2 . 1 . . . . 63 SER C . 16498 1 28 . 1 1 3 3 SER CA C 13 57.5 0.2 . 1 . . . . 63 SER CA . 16498 1 29 . 1 1 3 3 SER CB C 13 65.9 0.2 . 1 . . . . 63 SER CB . 16498 1 30 . 1 1 3 3 SER N N 15 116.3 0.2 . 1 . . . . 63 SER N . 16498 1 31 . 1 1 4 4 PHE H H 1 9.37 0.02 . 1 . . . . 64 PHE H . 16498 1 32 . 1 1 4 4 PHE HA H 1 4.01 0.02 . 1 . . . . 64 PHE HA . 16498 1 33 . 1 1 4 4 PHE HB2 H 1 2.86 0.02 . 2 . . . . 64 PHE HB2 . 16498 1 34 . 1 1 4 4 PHE HB3 H 1 3.51 0.02 . 2 . . . . 64 PHE HB3 . 16498 1 35 . 1 1 4 4 PHE HD1 H 1 6.68 0.02 . 3 . . . . 64 PHE HD1 . 16498 1 36 . 1 1 4 4 PHE HD2 H 1 6.68 0.02 . 3 . . . . 64 PHE HD2 . 16498 1 37 . 1 1 4 4 PHE HE1 H 1 6.95 0.02 . 3 . . . . 64 PHE HE1 . 16498 1 38 . 1 1 4 4 PHE HE2 H 1 6.95 0.02 . 3 . . . . 64 PHE HE2 . 16498 1 39 . 1 1 4 4 PHE C C 13 176.7 0.2 . 1 . . . . 64 PHE C . 16498 1 40 . 1 1 4 4 PHE CA C 13 62.2 0.2 . 1 . . . . 64 PHE CA . 16498 1 41 . 1 1 4 4 PHE CB C 13 38.5 0.2 . 1 . . . . 64 PHE CB . 16498 1 42 . 1 1 4 4 PHE CD1 C 13 132.3 0.2 . 3 . . . . 64 PHE CD1 . 16498 1 43 . 1 1 4 4 PHE CD2 C 13 132.3 0.2 . 3 . . . . 64 PHE CD2 . 16498 1 44 . 1 1 4 4 PHE CE1 C 13 130.4 0.2 . 3 . . . . 64 PHE CE1 . 16498 1 45 . 1 1 4 4 PHE CE2 C 13 130.4 0.2 . 3 . . . . 64 PHE CE2 . 16498 1 46 . 1 1 4 4 PHE N N 15 121.4 0.2 . 1 . . . . 64 PHE N . 16498 1 47 . 1 1 5 5 GLY H H 1 8.93 0.02 . 1 . . . . 65 GLY H . 16498 1 48 . 1 1 5 5 GLY HA2 H 1 2.02 0.02 . 2 . . . . 65 GLY HA2 . 16498 1 49 . 1 1 5 5 GLY HA3 H 1 3.25 0.02 . 2 . . . . 65 GLY HA3 . 16498 1 50 . 1 1 5 5 GLY C C 13 175.2 0.2 . 1 . . . . 65 GLY C . 16498 1 51 . 1 1 5 5 GLY CA C 13 46.3 0.2 . 1 . . . . 65 GLY CA . 16498 1 52 . 1 1 5 5 GLY N N 15 106.5 0.2 . 1 . . . . 65 GLY N . 16498 1 53 . 1 1 6 6 ASP H H 1 7.63 0.02 . 1 . . . . 66 ASP H . 16498 1 54 . 1 1 6 6 ASP HA H 1 4.10 0.02 . 1 . . . . 66 ASP HA . 16498 1 55 . 1 1 6 6 ASP HB2 H 1 2.28 0.02 . 2 . . . . 66 ASP HB2 . 16498 1 56 . 1 1 6 6 ASP HB3 H 1 2.78 0.02 . 2 . . . . 66 ASP HB3 . 16498 1 57 . 1 1 6 6 ASP C C 13 179.5 0.2 . 1 . . . . 66 ASP C . 16498 1 58 . 1 1 6 6 ASP CA C 13 57.4 0.2 . 1 . . . . 66 ASP CA . 16498 1 59 . 1 1 6 6 ASP CB C 13 40.5 0.2 . 1 . . . . 66 ASP CB . 16498 1 60 . 1 1 6 6 ASP N N 15 120.5 0.2 . 1 . . . . 66 ASP N . 16498 1 61 . 1 1 7 7 TRP H H 1 7.19 0.02 . 1 . . . . 67 TRP H . 16498 1 62 . 1 1 7 7 TRP HA H 1 3.86 0.02 . 1 . . . . 67 TRP HA . 16498 1 63 . 1 1 7 7 TRP HB2 H 1 2.57 0.02 . 2 . . . . 67 TRP HB2 . 16498 1 64 . 1 1 7 7 TRP HB3 H 1 2.95 0.02 . 2 . . . . 67 TRP HB3 . 16498 1 65 . 1 1 7 7 TRP HD1 H 1 7.28 0.02 . 1 . . . . 67 TRP HD1 . 16498 1 66 . 1 1 7 7 TRP HE1 H 1 11.00 0.02 . 1 . . . . 67 TRP HE1 . 16498 1 67 . 1 1 7 7 TRP HE3 H 1 7.36 0.02 . 1 . . . . 67 TRP HE3 . 16498 1 68 . 1 1 7 7 TRP HH2 H 1 7.04 0.02 . 1 . . . . 67 TRP HH2 . 16498 1 69 . 1 1 7 7 TRP HZ2 H 1 7.54 0.02 . 1 . . . . 67 TRP HZ2 . 16498 1 70 . 1 1 7 7 TRP HZ3 H 1 6.86 0.02 . 1 . . . . 67 TRP HZ3 . 16498 1 71 . 1 1 7 7 TRP C C 13 177.2 0.2 . 1 . . . . 67 TRP C . 16498 1 72 . 1 1 7 7 TRP CA C 13 61.1 0.2 . 1 . . . . 67 TRP CA . 16498 1 73 . 1 1 7 7 TRP CB C 13 28.3 0.2 . 1 . . . . 67 TRP CB . 16498 1 74 . 1 1 7 7 TRP CD1 C 13 127.2 0.2 . 1 . . . . 67 TRP CD1 . 16498 1 75 . 1 1 7 7 TRP CE3 C 13 118.9 0.2 . 1 . . . . 67 TRP CE3 . 16498 1 76 . 1 1 7 7 TRP CH2 C 13 124.1 0.2 . 1 . . . . 67 TRP CH2 . 16498 1 77 . 1 1 7 7 TRP CZ2 C 13 115.1 0.2 . 1 . . . . 67 TRP CZ2 . 16498 1 78 . 1 1 7 7 TRP CZ3 C 13 121.4 0.2 . 1 . . . . 67 TRP CZ3 . 16498 1 79 . 1 1 7 7 TRP N N 15 120.7 0.2 . 1 . . . . 67 TRP N . 16498 1 80 . 1 1 7 7 TRP NE1 N 15 130.5 0.2 . 1 . . . . 67 TRP NE1 . 16498 1 81 . 1 1 8 8 ALA H H 1 9.04 0.02 . 1 . . . . 68 ALA H . 16498 1 82 . 1 1 8 8 ALA HA H 1 3.73 0.02 . 1 . . . . 68 ALA HA . 16498 1 83 . 1 1 8 8 ALA HB1 H 1 1.08 0.02 . 1 . . . . 68 ALA HB . 16498 1 84 . 1 1 8 8 ALA HB2 H 1 1.08 0.02 . 1 . . . . 68 ALA HB . 16498 1 85 . 1 1 8 8 ALA HB3 H 1 1.08 0.02 . 1 . . . . 68 ALA HB . 16498 1 86 . 1 1 8 8 ALA C C 13 179.5 0.2 . 1 . . . . 68 ALA C . 16498 1 87 . 1 1 8 8 ALA CA C 13 55.2 0.2 . 1 . . . . 68 ALA CA . 16498 1 88 . 1 1 8 8 ALA CB C 13 18.6 0.2 . 1 . . . . 68 ALA CB . 16498 1 89 . 1 1 8 8 ALA N N 15 125.7 0.2 . 1 . . . . 68 ALA N . 16498 1 90 . 1 1 9 9 GLU H H 1 8.06 0.02 . 1 . . . . 69 GLU H . 16498 1 91 . 1 1 9 9 GLU HA H 1 4.02 0.02 . 1 . . . . 69 GLU HA . 16498 1 92 . 1 1 9 9 GLU HB2 H 1 1.89 0.02 . 2 . . . . 69 GLU HB2 . 16498 1 93 . 1 1 9 9 GLU HB3 H 1 2.15 0.02 . 2 . . . . 69 GLU HB3 . 16498 1 94 . 1 1 9 9 GLU HG2 H 1 2.53 0.02 . 2 . . . . 69 GLU HG2 . 16498 1 95 . 1 1 9 9 GLU HG3 H 1 2.60 0.02 . 2 . . . . 69 GLU HG3 . 16498 1 96 . 1 1 9 9 GLU C C 13 180.4 0.2 . 1 . . . . 69 GLU C . 16498 1 97 . 1 1 9 9 GLU CA C 13 58.8 0.2 . 1 . . . . 69 GLU CA . 16498 1 98 . 1 1 9 9 GLU CB C 13 28.5 0.2 . 1 . . . . 69 GLU CB . 16498 1 99 . 1 1 9 9 GLU N N 15 115.4 0.2 . 1 . . . . 69 GLU N . 16498 1 100 . 1 1 10 10 LYS H H 1 7.74 0.02 . 1 . . . . 70 LYS H . 16498 1 101 . 1 1 10 10 LYS HA H 1 3.91 0.02 . 1 . . . . 70 LYS HA . 16498 1 102 . 1 1 10 10 LYS HB2 H 1 1.70 0.02 . 2 . . . . 70 LYS HB2 . 16498 1 103 . 1 1 10 10 LYS HB3 H 1 1.70 0.02 . 2 . . . . 70 LYS HB3 . 16498 1 104 . 1 1 10 10 LYS HD2 H 1 0.56 0.02 . 2 . . . . 70 LYS HD2 . 16498 1 105 . 1 1 10 10 LYS HD3 H 1 0.94 0.02 . 2 . . . . 70 LYS HD3 . 16498 1 106 . 1 1 10 10 LYS HE2 H 1 2.28 0.02 . 2 . . . . 70 LYS HE2 . 16498 1 107 . 1 1 10 10 LYS HE3 H 1 2.38 0.02 . 2 . . . . 70 LYS HE3 . 16498 1 108 . 1 1 10 10 LYS HG2 H 1 1.14 0.02 . 2 . . . . 70 LYS HG2 . 16498 1 109 . 1 1 10 10 LYS HG3 H 1 1.32 0.02 . 2 . . . . 70 LYS HG3 . 16498 1 110 . 1 1 10 10 LYS C C 13 179.5 0.2 . 1 . . . . 70 LYS C . 16498 1 111 . 1 1 10 10 LYS CA C 13 60.0 0.2 . 1 . . . . 70 LYS CA . 16498 1 112 . 1 1 10 10 LYS CB C 13 32.4 0.2 . 1 . . . . 70 LYS CB . 16498 1 113 . 1 1 10 10 LYS CD C 13 28.9 0.2 . 1 . . . . 70 LYS CD . 16498 1 114 . 1 1 10 10 LYS CE C 13 41.6 0.2 . 1 . . . . 70 LYS CE . 16498 1 115 . 1 1 10 10 LYS CG C 13 25.5 0.2 . 1 . . . . 70 LYS CG . 16498 1 116 . 1 1 10 10 LYS N N 15 122.7 0.2 . 1 . . . . 70 LYS N . 16498 1 117 . 1 1 11 11 PHE H H 1 8.75 0.02 . 1 . . . . 71 PHE H . 16498 1 118 . 1 1 11 11 PHE HA H 1 4.08 0.02 . 1 . . . . 71 PHE HA . 16498 1 119 . 1 1 11 11 PHE HB2 H 1 3.04 0.02 . 2 . . . . 71 PHE HB2 . 16498 1 120 . 1 1 11 11 PHE HB3 H 1 3.61 0.02 . 2 . . . . 71 PHE HB3 . 16498 1 121 . 1 1 11 11 PHE HD1 H 1 6.97 0.02 . 3 . . . . 71 PHE HD1 . 16498 1 122 . 1 1 11 11 PHE HD2 H 1 6.97 0.02 . 3 . . . . 71 PHE HD2 . 16498 1 123 . 1 1 11 11 PHE HE1 H 1 6.80 0.02 . 3 . . . . 71 PHE HE1 . 16498 1 124 . 1 1 11 11 PHE HE2 H 1 6.80 0.02 . 3 . . . . 71 PHE HE2 . 16498 1 125 . 1 1 11 11 PHE HZ H 1 6.49 0.02 . 1 . . . . 71 PHE HZ . 16498 1 126 . 1 1 11 11 PHE C C 13 177.1 0.2 . 1 . . . . 71 PHE C . 16498 1 127 . 1 1 11 11 PHE CA C 13 61.2 0.2 . 1 . . . . 71 PHE CA . 16498 1 128 . 1 1 11 11 PHE CB C 13 38.9 0.2 . 1 . . . . 71 PHE CB . 16498 1 129 . 1 1 11 11 PHE CD1 C 13 131.3 0.2 . 3 . . . . 71 PHE CD1 . 16498 1 130 . 1 1 11 11 PHE CD2 C 13 131.3 0.2 . 3 . . . . 71 PHE CD2 . 16498 1 131 . 1 1 11 11 PHE CE1 C 13 131.3 0.2 . 3 . . . . 71 PHE CE1 . 16498 1 132 . 1 1 11 11 PHE CE2 C 13 131.3 0.2 . 3 . . . . 71 PHE CE2 . 16498 1 133 . 1 1 11 11 PHE CZ C 13 129.1 0.2 . 1 . . . . 71 PHE CZ . 16498 1 134 . 1 1 11 11 PHE N N 15 123.5 0.2 . 1 . . . . 71 PHE N . 16498 1 135 . 1 1 12 12 LEU H H 1 8.40 0.02 . 1 . . . . 72 LEU H . 16498 1 136 . 1 1 12 12 LEU HA H 1 3.52 0.02 . 1 . . . . 72 LEU HA . 16498 1 137 . 1 1 12 12 LEU HB2 H 1 1.24 0.02 . 2 . . . . 72 LEU HB2 . 16498 1 138 . 1 1 12 12 LEU HB3 H 1 2.08 0.02 . 2 . . . . 72 LEU HB3 . 16498 1 139 . 1 1 12 12 LEU HD11 H 1 0.86 0.02 . 2 . . . . 72 LEU HD1 . 16498 1 140 . 1 1 12 12 LEU HD12 H 1 0.86 0.02 . 2 . . . . 72 LEU HD1 . 16498 1 141 . 1 1 12 12 LEU HD13 H 1 0.86 0.02 . 2 . . . . 72 LEU HD1 . 16498 1 142 . 1 1 12 12 LEU HD21 H 1 0.99 0.02 . 2 . . . . 72 LEU HD2 . 16498 1 143 . 1 1 12 12 LEU HD22 H 1 0.99 0.02 . 2 . . . . 72 LEU HD2 . 16498 1 144 . 1 1 12 12 LEU HD23 H 1 0.99 0.02 . 2 . . . . 72 LEU HD2 . 16498 1 145 . 1 1 12 12 LEU HG H 1 2.26 0.02 . 1 . . . . 72 LEU HG . 16498 1 146 . 1 1 12 12 LEU C C 13 180.0 0.2 . 1 . . . . 72 LEU C . 16498 1 147 . 1 1 12 12 LEU CA C 13 58.2 0.2 . 1 . . . . 72 LEU CA . 16498 1 148 . 1 1 12 12 LEU CB C 13 41.7 0.2 . 1 . . . . 72 LEU CB . 16498 1 149 . 1 1 12 12 LEU CD1 C 13 23.8 0.2 . 2 . . . . 72 LEU CD1 . 16498 1 150 . 1 1 12 12 LEU CD2 C 13 26.3 0.2 . 2 . . . . 72 LEU CD2 . 16498 1 151 . 1 1 12 12 LEU CG C 13 26.3 0.2 . 1 . . . . 72 LEU CG . 16498 1 152 . 1 1 12 12 LEU N N 15 121.1 0.2 . 1 . . . . 72 LEU N . 16498 1 153 . 1 1 13 13 LYS H H 1 7.81 0.02 . 1 . . . . 73 LYS H . 16498 1 154 . 1 1 13 13 LYS HA H 1 4.08 0.02 . 1 . . . . 73 LYS HA . 16498 1 155 . 1 1 13 13 LYS HB2 H 1 1.87 0.02 . 2 . . . . 73 LYS HB2 . 16498 1 156 . 1 1 13 13 LYS C C 13 179.3 0.2 . 1 . . . . 73 LYS C . 16498 1 157 . 1 1 13 13 LYS CA C 13 59.0 0.2 . 1 . . . . 73 LYS CA . 16498 1 158 . 1 1 13 13 LYS CB C 13 31.9 0.2 . 1 . . . . 73 LYS CB . 16498 1 159 . 1 1 13 13 LYS N N 15 119.4 0.2 . 1 . . . . 73 LYS N . 16498 1 160 . 1 1 14 14 SER H H 1 8.21 0.02 . 1 . . . . 74 SER H . 16498 1 161 . 1 1 14 14 SER HA H 1 4.21 0.02 . 1 . . . . 74 SER HA . 16498 1 162 . 1 1 14 14 SER HB2 H 1 3.96 0.02 . 2 . . . . 74 SER HB2 . 16498 1 163 . 1 1 14 14 SER HB3 H 1 3.96 0.02 . 2 . . . . 74 SER HB3 . 16498 1 164 . 1 1 14 14 SER C C 13 176.3 0.2 . 1 . . . . 74 SER C . 16498 1 165 . 1 1 14 14 SER CA C 13 61.4 0.2 . 1 . . . . 74 SER CA . 16498 1 166 . 1 1 14 14 SER CB C 13 62.6 0.2 . 1 . . . . 74 SER CB . 16498 1 167 . 1 1 14 14 SER N N 15 117.6 0.2 . 1 . . . . 74 SER N . 16498 1 168 . 1 1 15 15 LYS H H 1 7.76 0.02 . 1 . . . . 75 LYS H . 16498 1 169 . 1 1 15 15 LYS HA H 1 4.04 0.02 . 1 . . . . 75 LYS HA . 16498 1 170 . 1 1 15 15 LYS HB2 H 1 1.42 0.02 . 2 . . . . 75 LYS HB2 . 16498 1 171 . 1 1 15 15 LYS HB3 H 1 1.61 0.02 . 2 . . . . 75 LYS HB3 . 16498 1 172 . 1 1 15 15 LYS HD2 H 1 1.33 0.02 . 2 . . . . 75 LYS HD2 . 16498 1 173 . 1 1 15 15 LYS HD3 H 1 1.51 0.02 . 2 . . . . 75 LYS HD3 . 16498 1 174 . 1 1 15 15 LYS HE2 H 1 2.54 0.02 . 2 . . . . 75 LYS HE2 . 16498 1 175 . 1 1 15 15 LYS HE3 H 1 2.54 0.02 . 2 . . . . 75 LYS HE3 . 16498 1 176 . 1 1 15 15 LYS HG2 H 1 0.36 0.02 . 2 . . . . 75 LYS HG2 . 16498 1 177 . 1 1 15 15 LYS HG3 H 1 0.53 0.02 . 2 . . . . 75 LYS HG3 . 16498 1 178 . 1 1 15 15 LYS C C 13 178.5 0.2 . 1 . . . . 75 LYS C . 16498 1 179 . 1 1 15 15 LYS CA C 13 56.5 0.2 . 1 . . . . 75 LYS CA . 16498 1 180 . 1 1 15 15 LYS CB C 13 30.6 0.2 . 1 . . . . 75 LYS CB . 16498 1 181 . 1 1 15 15 LYS CD C 13 27.2 0.2 . 1 . . . . 75 LYS CD . 16498 1 182 . 1 1 15 15 LYS CE C 13 42.3 0.2 . 1 . . . . 75 LYS CE . 16498 1 183 . 1 1 15 15 LYS CG C 13 22.7 0.2 . 1 . . . . 75 LYS CG . 16498 1 184 . 1 1 15 15 LYS N N 15 120.1 0.2 . 1 . . . . 75 LYS N . 16498 1 185 . 1 1 16 16 GLU H H 1 7.68 0.02 . 1 . . . . 76 GLU H . 16498 1 186 . 1 1 16 16 GLU HA H 1 4.03 0.02 . 1 . . . . 76 GLU HA . 16498 1 187 . 1 1 16 16 GLU HB2 H 1 2.09 0.02 . 2 . . . . 76 GLU HB2 . 16498 1 188 . 1 1 16 16 GLU HB3 H 1 2.15 0.02 . 2 . . . . 76 GLU HB3 . 16498 1 189 . 1 1 16 16 GLU HG2 H 1 2.18 0.02 . 2 . . . . 76 GLU HG2 . 16498 1 190 . 1 1 16 16 GLU HG3 H 1 2.30 0.02 . 2 . . . . 76 GLU HG3 . 16498 1 191 . 1 1 16 16 GLU C C 13 179.9 0.2 . 1 . . . . 76 GLU C . 16498 1 192 . 1 1 16 16 GLU CA C 13 59.2 0.2 . 1 . . . . 76 GLU CA . 16498 1 193 . 1 1 16 16 GLU CB C 13 29.6 0.2 . 1 . . . . 76 GLU CB . 16498 1 194 . 1 1 16 16 GLU CG C 13 35.9 0.2 . 1 . . . . 76 GLU CG . 16498 1 195 . 1 1 16 16 GLU N N 15 119.7 0.2 . 1 . . . . 76 GLU N . 16498 1 196 . 1 1 17 17 ALA H H 1 8.03 0.02 . 1 . . . . 77 ALA H . 16498 1 197 . 1 1 17 17 ALA HA H 1 4.20 0.02 . 1 . . . . 77 ALA HA . 16498 1 198 . 1 1 17 17 ALA HB1 H 1 1.51 0.02 . 1 . . . . 77 ALA HB . 16498 1 199 . 1 1 17 17 ALA HB2 H 1 1.51 0.02 . 1 . . . . 77 ALA HB . 16498 1 200 . 1 1 17 17 ALA HB3 H 1 1.51 0.02 . 1 . . . . 77 ALA HB . 16498 1 201 . 1 1 17 17 ALA C C 13 178.9 0.2 . 1 . . . . 77 ALA C . 16498 1 202 . 1 1 17 17 ALA CA C 13 54.4 0.2 . 1 . . . . 77 ALA CA . 16498 1 203 . 1 1 17 17 ALA CB C 13 18.1 0.2 . 1 . . . . 77 ALA CB . 16498 1 204 . 1 1 17 17 ALA N N 15 123.0 0.2 . 1 . . . . 77 ALA N . 16498 1 205 . 1 1 18 18 ASP H H 1 7.86 0.02 . 1 . . . . 78 ASP H . 16498 1 206 . 1 1 18 18 ASP HA H 1 4.60 0.02 . 1 . . . . 78 ASP HA . 16498 1 207 . 1 1 18 18 ASP HB2 H 1 2.79 0.02 . 2 . . . . 78 ASP HB2 . 16498 1 208 . 1 1 18 18 ASP HB3 H 1 2.85 0.02 . 2 . . . . 78 ASP HB3 . 16498 1 209 . 1 1 18 18 ASP C C 13 177.5 0.2 . 1 . . . . 78 ASP C . 16498 1 210 . 1 1 18 18 ASP CA C 13 55.1 0.2 . 1 . . . . 78 ASP CA . 16498 1 211 . 1 1 18 18 ASP CB C 13 41.4 0.2 . 1 . . . . 78 ASP CB . 16498 1 212 . 1 1 18 18 ASP N N 15 117.7 0.2 . 1 . . . . 78 ASP N . 16498 1 213 . 1 1 19 19 GLY H H 1 7.91 0.02 . 1 . . . . 79 GLY H . 16498 1 214 . 1 1 19 19 GLY HA2 H 1 3.86 0.02 . 2 . . . . 79 GLY HA2 . 16498 1 215 . 1 1 19 19 GLY HA3 H 1 4.08 0.02 . 2 . . . . 79 GLY HA3 . 16498 1 216 . 1 1 19 19 GLY C C 13 175.3 0.2 . 1 . . . . 79 GLY C . 16498 1 217 . 1 1 19 19 GLY CA C 13 46.2 0.2 . 1 . . . . 79 GLY CA . 16498 1 218 . 1 1 19 19 GLY N N 15 107.1 0.2 . 1 . . . . 79 GLY N . 16498 1 219 . 1 1 20 20 VAL H H 1 7.15 0.02 . 1 . . . . 80 VAL H . 16498 1 220 . 1 1 20 20 VAL HA H 1 4.25 0.02 . 1 . . . . 80 VAL HA . 16498 1 221 . 1 1 20 20 VAL HB H 1 2.30 0.02 . 1 . . . . 80 VAL HB . 16498 1 222 . 1 1 20 20 VAL HG11 H 1 1.17 0.02 . 2 . . . . 80 VAL HG1 . 16498 1 223 . 1 1 20 20 VAL HG12 H 1 1.17 0.02 . 2 . . . . 80 VAL HG1 . 16498 1 224 . 1 1 20 20 VAL HG13 H 1 1.17 0.02 . 2 . . . . 80 VAL HG1 . 16498 1 225 . 1 1 20 20 VAL HG21 H 1 0.98 0.02 . 2 . . . . 80 VAL HG2 . 16498 1 226 . 1 1 20 20 VAL HG22 H 1 0.98 0.02 . 2 . . . . 80 VAL HG2 . 16498 1 227 . 1 1 20 20 VAL HG23 H 1 0.98 0.02 . 2 . . . . 80 VAL HG2 . 16498 1 228 . 1 1 20 20 VAL C C 13 175.1 0.2 . 1 . . . . 80 VAL C . 16498 1 229 . 1 1 20 20 VAL CA C 13 61.8 0.2 . 1 . . . . 80 VAL CA . 16498 1 230 . 1 1 20 20 VAL CB C 13 32.2 0.2 . 1 . . . . 80 VAL CB . 16498 1 231 . 1 1 20 20 VAL CG1 C 13 22.0 0.2 . 2 . . . . 80 VAL CG1 . 16498 1 232 . 1 1 20 20 VAL CG2 C 13 20.6 0.2 . 2 . . . . 80 VAL CG2 . 16498 1 233 . 1 1 20 20 VAL N N 15 114.6 0.2 . 1 . . . . 80 VAL N . 16498 1 234 . 1 1 21 21 SER H H 1 8.56 0.02 . 1 . . . . 81 SER H . 16498 1 235 . 1 1 21 21 SER HA H 1 4.39 0.02 . 1 . . . . 81 SER HA . 16498 1 236 . 1 1 21 21 SER HB2 H 1 4.09 0.02 . 2 . . . . 81 SER HB2 . 16498 1 237 . 1 1 21 21 SER HB3 H 1 4.36 0.02 . 2 . . . . 81 SER HB3 . 16498 1 238 . 1 1 21 21 SER C C 13 174.6 0.2 . 1 . . . . 81 SER C . 16498 1 239 . 1 1 21 21 SER CA C 13 57.9 0.2 . 1 . . . . 81 SER CA . 16498 1 240 . 1 1 21 21 SER CB C 13 64.7 0.2 . 1 . . . . 81 SER CB . 16498 1 241 . 1 1 21 21 SER N N 15 118.7 0.2 . 1 . . . . 81 SER N . 16498 1 242 . 1 1 22 22 VAL H H 1 8.69 0.02 . 1 . . . . 82 VAL H . 16498 1 243 . 1 1 22 22 VAL HA H 1 3.70 0.02 . 1 . . . . 82 VAL HA . 16498 1 244 . 1 1 22 22 VAL HB H 1 2.07 0.02 . 1 . . . . 82 VAL HB . 16498 1 245 . 1 1 22 22 VAL HG11 H 1 1.11 0.02 . 2 . . . . 82 VAL HG1 . 16498 1 246 . 1 1 22 22 VAL HG12 H 1 1.11 0.02 . 2 . . . . 82 VAL HG1 . 16498 1 247 . 1 1 22 22 VAL HG13 H 1 1.11 0.02 . 2 . . . . 82 VAL HG1 . 16498 1 248 . 1 1 22 22 VAL HG21 H 1 0.98 0.02 . 2 . . . . 82 VAL HG2 . 16498 1 249 . 1 1 22 22 VAL HG22 H 1 0.98 0.02 . 2 . . . . 82 VAL HG2 . 16498 1 250 . 1 1 22 22 VAL HG23 H 1 0.98 0.02 . 2 . . . . 82 VAL HG2 . 16498 1 251 . 1 1 22 22 VAL C C 13 178.0 0.2 . 1 . . . . 82 VAL C . 16498 1 252 . 1 1 22 22 VAL CA C 13 66.5 0.2 . 1 . . . . 82 VAL CA . 16498 1 253 . 1 1 22 22 VAL CB C 13 31.7 0.2 . 1 . . . . 82 VAL CB . 16498 1 254 . 1 1 22 22 VAL CG1 C 13 22.5 0.2 . 2 . . . . 82 VAL CG1 . 16498 1 255 . 1 1 22 22 VAL CG2 C 13 20.9 0.2 . 2 . . . . 82 VAL CG2 . 16498 1 256 . 1 1 22 22 VAL N N 15 122.1 0.2 . 1 . . . . 82 VAL N . 16498 1 257 . 1 1 23 23 SER H H 1 8.30 0.02 . 1 . . . . 83 SER H . 16498 1 258 . 1 1 23 23 SER HA H 1 4.21 0.02 . 1 . . . . 83 SER HA . 16498 1 259 . 1 1 23 23 SER HB2 H 1 3.87 0.02 . 2 . . . . 83 SER HB2 . 16498 1 260 . 1 1 23 23 SER HB3 H 1 3.87 0.02 . 2 . . . . 83 SER HB3 . 16498 1 261 . 1 1 23 23 SER C C 13 177.6 0.2 . 1 . . . . 83 SER C . 16498 1 262 . 1 1 23 23 SER CA C 13 61.4 0.2 . 1 . . . . 83 SER CA . 16498 1 263 . 1 1 23 23 SER CB C 13 62.4 0.2 . 1 . . . . 83 SER CB . 16498 1 264 . 1 1 23 23 SER N N 15 113.6 0.2 . 1 . . . . 83 SER N . 16498 1 265 . 1 1 24 24 GLN H H 1 7.82 0.02 . 1 . . . . 84 GLN H . 16498 1 266 . 1 1 24 24 GLN HA H 1 3.97 0.02 . 1 . . . . 84 GLN HA . 16498 1 267 . 1 1 24 24 GLN HB2 H 1 1.98 0.02 . 2 . . . . 84 GLN HB2 . 16498 1 268 . 1 1 24 24 GLN HB3 H 1 2.19 0.02 . 2 . . . . 84 GLN HB3 . 16498 1 269 . 1 1 24 24 GLN HE21 H 1 6.71 0.02 . 1 . . . . 84 GLN HE21 . 16498 1 270 . 1 1 24 24 GLN HE22 H 1 7.05 0.02 . 1 . . . . 84 GLN HE22 . 16498 1 271 . 1 1 24 24 GLN HG2 H 1 2.18 0.02 . 2 . . . . 84 GLN HG2 . 16498 1 272 . 1 1 24 24 GLN HG3 H 1 2.30 0.02 . 2 . . . . 84 GLN HG3 . 16498 1 273 . 1 1 24 24 GLN C C 13 178.4 0.2 . 1 . . . . 84 GLN C . 16498 1 274 . 1 1 24 24 GLN CA C 13 58.4 0.2 . 1 . . . . 84 GLN CA . 16498 1 275 . 1 1 24 24 GLN CB C 13 28.9 0.2 . 1 . . . . 84 GLN CB . 16498 1 276 . 1 1 24 24 GLN CD C 13 179.9 0.2 . 1 . . . . 84 GLN CD . 16498 1 277 . 1 1 24 24 GLN CG C 13 34.4 0.2 . 1 . . . . 84 GLN CG . 16498 1 278 . 1 1 24 24 GLN N N 15 122.9 0.2 . 1 . . . . 84 GLN N . 16498 1 279 . 1 1 24 24 GLN NE2 N 15 112.4 0.2 . 1 . . . . 84 GLN NE2 . 16498 1 280 . 1 1 25 25 LEU H H 1 8.92 0.02 . 1 . . . . 85 LEU H . 16498 1 281 . 1 1 25 25 LEU HA H 1 4.13 0.02 . 1 . . . . 85 LEU HA . 16498 1 282 . 1 1 25 25 LEU HB2 H 1 1.52 0.02 . 2 . . . . 85 LEU HB2 . 16498 1 283 . 1 1 25 25 LEU HB3 H 1 1.94 0.02 . 2 . . . . 85 LEU HB3 . 16498 1 284 . 1 1 25 25 LEU HD11 H 1 0.94 0.02 . 2 . . . . 85 LEU HD1 . 16498 1 285 . 1 1 25 25 LEU HD12 H 1 0.94 0.02 . 2 . . . . 85 LEU HD1 . 16498 1 286 . 1 1 25 25 LEU HD13 H 1 0.94 0.02 . 2 . . . . 85 LEU HD1 . 16498 1 287 . 1 1 25 25 LEU HD21 H 1 0.92 0.02 . 2 . . . . 85 LEU HD2 . 16498 1 288 . 1 1 25 25 LEU HD22 H 1 0.92 0.02 . 2 . . . . 85 LEU HD2 . 16498 1 289 . 1 1 25 25 LEU HD23 H 1 0.92 0.02 . 2 . . . . 85 LEU HD2 . 16498 1 290 . 1 1 25 25 LEU HG H 1 1.58 0.02 . 1 . . . . 85 LEU HG . 16498 1 291 . 1 1 25 25 LEU C C 13 178.8 0.2 . 1 . . . . 85 LEU C . 16498 1 292 . 1 1 25 25 LEU CA C 13 58.3 0.2 . 1 . . . . 85 LEU CA . 16498 1 293 . 1 1 25 25 LEU CB C 13 41.2 0.2 . 1 . . . . 85 LEU CB . 16498 1 294 . 1 1 25 25 LEU CD1 C 13 23.3 0.2 . 2 . . . . 85 LEU CD1 . 16498 1 295 . 1 1 25 25 LEU CD2 C 13 25.2 0.2 . 2 . . . . 85 LEU CD2 . 16498 1 296 . 1 1 25 25 LEU CG C 13 27.0 0.2 . 1 . . . . 85 LEU CG . 16498 1 297 . 1 1 25 25 LEU N N 15 122.2 0.2 . 1 . . . . 85 LEU N . 16498 1 298 . 1 1 26 26 ASN H H 1 8.86 0.02 . 1 . . . . 86 ASN H . 16498 1 299 . 1 1 26 26 ASN HA H 1 4.42 0.02 . 1 . . . . 86 ASN HA . 16498 1 300 . 1 1 26 26 ASN HB2 H 1 2.77 0.02 . 2 . . . . 86 ASN HB2 . 16498 1 301 . 1 1 26 26 ASN HB3 H 1 2.96 0.02 . 2 . . . . 86 ASN HB3 . 16498 1 302 . 1 1 26 26 ASN HD21 H 1 7.61 0.02 . 1 . . . . 86 ASN HD21 . 16498 1 303 . 1 1 26 26 ASN HD22 H 1 6.97 0.02 . 1 . . . . 86 ASN HD22 . 16498 1 304 . 1 1 26 26 ASN C C 13 179.0 0.2 . 1 . . . . 86 ASN C . 16498 1 305 . 1 1 26 26 ASN CA C 13 55.9 0.2 . 1 . . . . 86 ASN CA . 16498 1 306 . 1 1 26 26 ASN CB C 13 37.2 0.2 . 1 . . . . 86 ASN CB . 16498 1 307 . 1 1 26 26 ASN CG C 13 175.5 0.2 . 1 . . . . 86 ASN CG . 16498 1 308 . 1 1 26 26 ASN N N 15 117.6 0.2 . 1 . . . . 86 ASN N . 16498 1 309 . 1 1 26 26 ASN ND2 N 15 111.8 0.2 . 1 . . . . 86 ASN ND2 . 16498 1 310 . 1 1 27 27 SER H H 1 7.84 0.02 . 1 . . . . 87 SER H . 16498 1 311 . 1 1 27 27 SER HA H 1 4.10 0.02 . 1 . . . . 87 SER HA . 16498 1 312 . 1 1 27 27 SER HB2 H 1 3.60 0.02 . 2 . . . . 87 SER HB2 . 16498 1 313 . 1 1 27 27 SER HB3 H 1 3.82 0.02 . 2 . . . . 87 SER HB3 . 16498 1 314 . 1 1 27 27 SER C C 13 179.0 0.2 . 1 . . . . 87 SER C . 16498 1 315 . 1 1 27 27 SER CA C 13 62.1 0.2 . 1 . . . . 87 SER CA . 16498 1 316 . 1 1 27 27 SER CB C 13 62.1 0.2 . 1 . . . . 87 SER CB . 16498 1 317 . 1 1 27 27 SER N N 15 118.5 0.2 . 1 . . . . 87 SER N . 16498 1 318 . 1 1 28 28 TYR H H 1 8.18 0.02 . 1 . . . . 88 TYR H . 16498 1 319 . 1 1 28 28 TYR HA H 1 4.60 0.02 . 1 . . . . 88 TYR HA . 16498 1 320 . 1 1 28 28 TYR HB2 H 1 3.20 0.02 . 2 . . . . 88 TYR HB2 . 16498 1 321 . 1 1 28 28 TYR HB3 H 1 3.20 0.02 . 2 . . . . 88 TYR HB3 . 16498 1 322 . 1 1 28 28 TYR HD1 H 1 7.24 0.02 . 3 . . . . 88 TYR HD1 . 16498 1 323 . 1 1 28 28 TYR HD2 H 1 7.24 0.02 . 3 . . . . 88 TYR HD2 . 16498 1 324 . 1 1 28 28 TYR HE1 H 1 7.02 0.02 . 3 . . . . 88 TYR HE1 . 16498 1 325 . 1 1 28 28 TYR HE2 H 1 7.02 0.02 . 3 . . . . 88 TYR HE2 . 16498 1 326 . 1 1 28 28 TYR C C 13 174.8 0.2 . 1 . . . . 88 TYR C . 16498 1 327 . 1 1 28 28 TYR CA C 13 61.2 0.2 . 1 . . . . 88 TYR CA . 16498 1 328 . 1 1 28 28 TYR CB C 13 37.8 0.2 . 1 . . . . 88 TYR CB . 16498 1 329 . 1 1 28 28 TYR CD1 C 13 132.0 0.2 . 3 . . . . 88 TYR CD1 . 16498 1 330 . 1 1 28 28 TYR CD2 C 13 132.0 0.2 . 3 . . . . 88 TYR CD2 . 16498 1 331 . 1 1 28 28 TYR CE1 C 13 118.7 0.2 . 3 . . . . 88 TYR CE1 . 16498 1 332 . 1 1 28 28 TYR CE2 C 13 118.7 0.2 . 3 . . . . 88 TYR CE2 . 16498 1 333 . 1 1 28 28 TYR N N 15 119.3 0.2 . 1 . . . . 88 TYR N . 16498 1 334 . 1 1 29 29 LYS H H 1 9.04 0.02 . 1 . . . . 89 LYS H . 16498 1 335 . 1 1 29 29 LYS HA H 1 3.89 0.02 . 1 . . . . 89 LYS HA . 16498 1 336 . 1 1 29 29 LYS HB2 H 1 1.93 0.02 . 2 . . . . 89 LYS HB2 . 16498 1 337 . 1 1 29 29 LYS HB3 H 1 2.06 0.02 . 2 . . . . 89 LYS HB3 . 16498 1 338 . 1 1 29 29 LYS HD2 H 1 1.71 0.02 . 2 . . . . 89 LYS HD2 . 16498 1 339 . 1 1 29 29 LYS HD3 H 1 1.71 0.02 . 2 . . . . 89 LYS HD3 . 16498 1 340 . 1 1 29 29 LYS HE2 H 1 2.74 0.02 . 2 . . . . 89 LYS HE2 . 16498 1 341 . 1 1 29 29 LYS HE3 H 1 2.74 0.02 . 2 . . . . 89 LYS HE3 . 16498 1 342 . 1 1 29 29 LYS HG2 H 1 1.42 0.02 . 2 . . . . 89 LYS HG2 . 16498 1 343 . 1 1 29 29 LYS HG3 H 1 1.42 0.02 . 2 . . . . 89 LYS HG3 . 16498 1 344 . 1 1 29 29 LYS C C 13 179.0 0.2 . 1 . . . . 89 LYS C . 16498 1 345 . 1 1 29 29 LYS CA C 13 61.3 0.2 . 1 . . . . 89 LYS CA . 16498 1 346 . 1 1 29 29 LYS CB C 13 32.8 0.2 . 1 . . . . 89 LYS CB . 16498 1 347 . 1 1 29 29 LYS CD C 13 28.2 0.2 . 1 . . . . 89 LYS CD . 16498 1 348 . 1 1 29 29 LYS CE C 13 42.2 0.2 . 1 . . . . 89 LYS CE . 16498 1 349 . 1 1 29 29 LYS CG C 13 25.3 0.2 . 1 . . . . 89 LYS CG . 16498 1 350 . 1 1 29 29 LYS N N 15 119.3 0.2 . 1 . . . . 89 LYS N . 16498 1 351 . 1 1 30 30 ASN H H 1 7.77 0.02 . 1 . . . . 90 ASN H . 16498 1 352 . 1 1 30 30 ASN HA H 1 4.56 0.02 . 1 . . . . 90 ASN HA . 16498 1 353 . 1 1 30 30 ASN HB2 H 1 2.92 0.02 . 2 . . . . 90 ASN HB2 . 16498 1 354 . 1 1 30 30 ASN HB3 H 1 2.96 0.02 . 2 . . . . 90 ASN HB3 . 16498 1 355 . 1 1 30 30 ASN HD21 H 1 7.53 0.02 . 1 . . . . 90 ASN HD21 . 16498 1 356 . 1 1 30 30 ASN HD22 H 1 7.27 0.02 . 1 . . . . 90 ASN HD22 . 16498 1 357 . 1 1 30 30 ASN C C 13 178.3 0.2 . 1 . . . . 90 ASN C . 16498 1 358 . 1 1 30 30 ASN CA C 13 56.2 0.2 . 1 . . . . 90 ASN CA . 16498 1 359 . 1 1 30 30 ASN CB C 13 38.9 0.2 . 1 . . . . 90 ASN CB . 16498 1 360 . 1 1 30 30 ASN CG C 13 175.7 0.2 . 1 . . . . 90 ASN CG . 16498 1 361 . 1 1 30 30 ASN N N 15 117.8 0.2 . 1 . . . . 90 ASN N . 16498 1 362 . 1 1 30 30 ASN ND2 N 15 113.3 0.2 . 1 . . . . 90 ASN ND2 . 16498 1 363 . 1 1 31 31 TYR H H 1 8.86 0.02 . 1 . . . . 91 TYR H . 16498 1 364 . 1 1 31 31 TYR HA H 1 4.91 0.02 . 1 . . . . 91 TYR HA . 16498 1 365 . 1 1 31 31 TYR HB2 H 1 3.31 0.02 . 2 . . . . 91 TYR HB2 . 16498 1 366 . 1 1 31 31 TYR HB3 H 1 3.57 0.02 . 2 . . . . 91 TYR HB3 . 16498 1 367 . 1 1 31 31 TYR HD1 H 1 7.21 0.02 . 3 . . . . 91 TYR HD1 . 16498 1 368 . 1 1 31 31 TYR HD2 H 1 7.21 0.02 . 3 . . . . 91 TYR HD2 . 16498 1 369 . 1 1 31 31 TYR HE1 H 1 6.67 0.02 . 3 . . . . 91 TYR HE1 . 16498 1 370 . 1 1 31 31 TYR HE2 H 1 6.67 0.02 . 3 . . . . 91 TYR HE2 . 16498 1 371 . 1 1 31 31 TYR C C 13 178.3 0.2 . 1 . . . . 91 TYR C . 16498 1 372 . 1 1 31 31 TYR CA C 13 59.7 0.2 . 1 . . . . 91 TYR CA . 16498 1 373 . 1 1 31 31 TYR CB C 13 37.5 0.2 . 1 . . . . 91 TYR CB . 16498 1 374 . 1 1 31 31 TYR CD1 C 13 132.2 0.2 . 3 . . . . 91 TYR CD1 . 16498 1 375 . 1 1 31 31 TYR CD2 C 13 132.2 0.2 . 3 . . . . 91 TYR CD2 . 16498 1 376 . 1 1 31 31 TYR CE1 C 13 117.6 0.2 . 3 . . . . 91 TYR CE1 . 16498 1 377 . 1 1 31 31 TYR CE2 C 13 117.6 0.2 . 3 . . . . 91 TYR CE2 . 16498 1 378 . 1 1 31 31 TYR N N 15 119.4 0.2 . 1 . . . . 91 TYR N . 16498 1 379 . 1 1 32 32 CYS H H 1 8.64 0.02 . 1 . . . . 92 CYS H . 16498 1 380 . 1 1 32 32 CYS HA H 1 4.41 0.02 . 1 . . . . 92 CYS HA . 16498 1 381 . 1 1 32 32 CYS HB2 H 1 3.17 0.02 . 2 . . . . 92 CYS HB2 . 16498 1 382 . 1 1 32 32 CYS HB3 H 1 3.49 0.02 . 2 . . . . 92 CYS HB3 . 16498 1 383 . 1 1 32 32 CYS C C 13 173.7 0.2 . 1 . . . . 92 CYS C . 16498 1 384 . 1 1 32 32 CYS CA C 13 65.5 0.2 . 1 . . . . 92 CYS CA . 16498 1 385 . 1 1 32 32 CYS CB C 13 28.3 0.2 . 1 . . . . 92 CYS CB . 16498 1 386 . 1 1 32 32 CYS N N 15 113.5 0.2 . 1 . . . . 92 CYS N . 16498 1 387 . 1 1 33 33 ARG H H 1 8.44 0.02 . 1 . . . . 93 ARG H . 16498 1 388 . 1 1 33 33 ARG HA H 1 3.74 0.02 . 1 . . . . 93 ARG HA . 16498 1 389 . 1 1 33 33 ARG HB2 H 1 1.79 0.02 . 2 . . . . 93 ARG HB2 . 16498 1 390 . 1 1 33 33 ARG HB3 H 1 1.79 0.02 . 2 . . . . 93 ARG HB3 . 16498 1 391 . 1 1 33 33 ARG C C 13 177.2 0.2 . 1 . . . . 93 ARG C . 16498 1 392 . 1 1 33 33 ARG CA C 13 58.3 0.2 . 1 . . . . 93 ARG CA . 16498 1 393 . 1 1 33 33 ARG CB C 13 30.2 0.2 . 1 . . . . 93 ARG CB . 16498 1 394 . 1 1 33 33 ARG N N 15 111.4 0.2 . 1 . . . . 93 ARG N . 16498 1 395 . 1 1 34 34 ASN H H 1 8.02 0.02 . 1 . . . . 94 ASN H . 16498 1 396 . 1 1 34 34 ASN HA H 1 4.98 0.02 . 1 . . . . 94 ASN HA . 16498 1 397 . 1 1 34 34 ASN HB2 H 1 2.85 0.02 . 2 . . . . 94 ASN HB2 . 16498 1 398 . 1 1 34 34 ASN HB3 H 1 2.85 0.02 . 2 . . . . 94 ASN HB3 . 16498 1 399 . 1 1 34 34 ASN HD21 H 1 6.71 0.02 . 2 . . . . 94 ASN HD21 . 16498 1 400 . 1 1 34 34 ASN HD22 H 1 7.51 0.02 . 2 . . . . 94 ASN HD22 . 16498 1 401 . 1 1 34 34 ASN C C 13 176.7 0.2 . 1 . . . . 94 ASN C . 16498 1 402 . 1 1 34 34 ASN CA C 13 53.4 0.2 . 1 . . . . 94 ASN CA . 16498 1 403 . 1 1 34 34 ASN CB C 13 38.0 0.2 . 1 . . . . 94 ASN CB . 16498 1 404 . 1 1 34 34 ASN CG C 13 176.4 0.2 . 1 . . . . 94 ASN CG . 16498 1 405 . 1 1 34 34 ASN N N 15 113.6 0.2 . 1 . . . . 94 ASN N . 16498 1 406 . 1 1 34 34 ASN ND2 N 15 111.6 0.2 . 1 . . . . 94 ASN ND2 . 16498 1 407 . 1 1 35 35 HIS H H 1 7.20 0.02 . 1 . . . . 95 HIS H . 16498 1 408 . 1 1 35 35 HIS HA H 1 4.47 0.02 . 1 . . . . 95 HIS HA . 16498 1 409 . 1 1 35 35 HIS HB2 H 1 2.98 0.02 . 2 . . . . 95 HIS HB2 . 16498 1 410 . 1 1 35 35 HIS HB3 H 1 3.68 0.02 . 2 . . . . 95 HIS HB3 . 16498 1 411 . 1 1 35 35 HIS C C 13 176.6 0.2 . 1 . . . . 95 HIS C . 16498 1 412 . 1 1 35 35 HIS CA C 13 60.0 0.2 . 1 . . . . 95 HIS CA . 16498 1 413 . 1 1 35 35 HIS CB C 13 30.5 0.2 . 1 . . . . 95 HIS CB . 16498 1 414 . 1 1 35 35 HIS N N 15 115.6 0.2 . 1 . . . . 95 HIS N . 16498 1 415 . 1 1 36 36 LEU H H 1 8.17 0.02 . 1 . . . . 96 LEU H . 16498 1 416 . 1 1 36 36 LEU HA H 1 4.73 0.02 . 1 . . . . 96 LEU HA . 16498 1 417 . 1 1 36 36 LEU HB2 H 1 2.04 0.02 . 2 . . . . 96 LEU HB2 . 16498 1 418 . 1 1 36 36 LEU HB3 H 1 2.68 0.02 . 2 . . . . 96 LEU HB3 . 16498 1 419 . 1 1 36 36 LEU HD11 H 1 0.85 0.02 . 2 . . . . 96 LEU HD1 . 16498 1 420 . 1 1 36 36 LEU HD12 H 1 0.85 0.02 . 2 . . . . 96 LEU HD1 . 16498 1 421 . 1 1 36 36 LEU HD13 H 1 0.85 0.02 . 2 . . . . 96 LEU HD1 . 16498 1 422 . 1 1 36 36 LEU HD21 H 1 1.13 0.02 . 2 . . . . 96 LEU HD2 . 16498 1 423 . 1 1 36 36 LEU HD22 H 1 1.13 0.02 . 2 . . . . 96 LEU HD2 . 16498 1 424 . 1 1 36 36 LEU HD23 H 1 1.13 0.02 . 2 . . . . 96 LEU HD2 . 16498 1 425 . 1 1 36 36 LEU HG H 1 1.99 0.02 . 1 . . . . 96 LEU HG . 16498 1 426 . 1 1 36 36 LEU C C 13 176.8 0.2 . 1 . . . . 96 LEU C . 16498 1 427 . 1 1 36 36 LEU CA C 13 54.4 0.2 . 1 . . . . 96 LEU CA . 16498 1 428 . 1 1 36 36 LEU CB C 13 40.6 0.2 . 1 . . . . 96 LEU CB . 16498 1 429 . 1 1 36 36 LEU CD1 C 13 22.2 0.2 . 2 . . . . 96 LEU CD1 . 16498 1 430 . 1 1 36 36 LEU CD2 C 13 25.7 0.2 . 2 . . . . 96 LEU CD2 . 16498 1 431 . 1 1 36 36 LEU CG C 13 26.6 0.2 . 1 . . . . 96 LEU CG . 16498 1 432 . 1 1 36 36 LEU N N 15 114.0 0.2 . 1 . . . . 96 LEU N . 16498 1 433 . 1 1 37 37 SER H H 1 7.14 0.02 . 1 . . . . 97 SER H . 16498 1 434 . 1 1 37 37 SER HA H 1 4.73 0.02 . 1 . . . . 97 SER HA . 16498 1 435 . 1 1 37 37 SER HB2 H 1 3.83 0.02 . 2 . . . . 97 SER HB2 . 16498 1 436 . 1 1 37 37 SER HB3 H 1 3.88 0.02 . 2 . . . . 97 SER HB3 . 16498 1 437 . 1 1 37 37 SER CA C 13 62.7 0.2 . 1 . . . . 97 SER CA . 16498 1 438 . 1 1 37 37 SER CB C 13 62.6 0.2 . 1 . . . . 97 SER CB . 16498 1 439 . 1 1 37 37 SER N N 15 117.2 0.2 . 1 . . . . 97 SER N . 16498 1 440 . 1 1 38 38 PRO HA H 1 4.56 0.02 . 1 . . . . 98 PRO HA . 16498 1 441 . 1 1 38 38 PRO HB2 H 1 1.62 0.02 . 2 . . . . 98 PRO HB2 . 16498 1 442 . 1 1 38 38 PRO HB3 H 1 2.58 0.02 . 2 . . . . 98 PRO HB3 . 16498 1 443 . 1 1 38 38 PRO HD2 H 1 3.36 0.02 . 2 . . . . 98 PRO HD2 . 16498 1 444 . 1 1 38 38 PRO HD3 H 1 4.10 0.02 . 2 . . . . 98 PRO HD3 . 16498 1 445 . 1 1 38 38 PRO HG2 H 1 2.02 0.02 . 2 . . . . 98 PRO HG2 . 16498 1 446 . 1 1 38 38 PRO HG3 H 1 2.02 0.02 . 2 . . . . 98 PRO HG3 . 16498 1 447 . 1 1 38 38 PRO C C 13 177.9 0.2 . 1 . . . . 98 PRO C . 16498 1 448 . 1 1 38 38 PRO CA C 13 65.7 0.2 . 1 . . . . 98 PRO CA . 16498 1 449 . 1 1 38 38 PRO CB C 13 31.8 0.2 . 1 . . . . 98 PRO CB . 16498 1 450 . 1 1 38 38 PRO CD C 13 51.6 0.2 . 1 . . . . 98 PRO CD . 16498 1 451 . 1 1 38 38 PRO CG C 13 28.5 0.2 . 1 . . . . 98 PRO CG . 16498 1 452 . 1 1 39 39 LEU H H 1 8.09 0.02 . 1 . . . . 99 LEU H . 16498 1 453 . 1 1 39 39 LEU HA H 1 4.26 0.02 . 1 . . . . 99 LEU HA . 16498 1 454 . 1 1 39 39 LEU HB2 H 1 1.01 0.02 . 2 . . . . 99 LEU HB2 . 16498 1 455 . 1 1 39 39 LEU HB3 H 1 1.59 0.02 . 2 . . . . 99 LEU HB3 . 16498 1 456 . 1 1 39 39 LEU HD11 H 1 0.60 0.02 . 2 . . . . 99 LEU HD1 . 16498 1 457 . 1 1 39 39 LEU HD12 H 1 0.60 0.02 . 2 . . . . 99 LEU HD1 . 16498 1 458 . 1 1 39 39 LEU HD13 H 1 0.60 0.02 . 2 . . . . 99 LEU HD1 . 16498 1 459 . 1 1 39 39 LEU HD21 H 1 0.38 0.02 . 2 . . . . 99 LEU HD2 . 16498 1 460 . 1 1 39 39 LEU HD22 H 1 0.38 0.02 . 2 . . . . 99 LEU HD2 . 16498 1 461 . 1 1 39 39 LEU HD23 H 1 0.38 0.02 . 2 . . . . 99 LEU HD2 . 16498 1 462 . 1 1 39 39 LEU HG H 1 1.39 0.02 . 1 . . . . 99 LEU HG . 16498 1 463 . 1 1 39 39 LEU C C 13 178.7 0.2 . 1 . . . . 99 LEU C . 16498 1 464 . 1 1 39 39 LEU CA C 13 54.3 0.2 . 1 . . . . 99 LEU CA . 16498 1 465 . 1 1 39 39 LEU CB C 13 42.4 0.2 . 1 . . . . 99 LEU CB . 16498 1 466 . 1 1 39 39 LEU CD1 C 13 22.2 0.2 . 2 . . . . 99 LEU CD1 . 16498 1 467 . 1 1 39 39 LEU CD2 C 13 25.9 0.2 . 2 . . . . 99 LEU CD2 . 16498 1 468 . 1 1 39 39 LEU CG C 13 26.0 0.2 . 1 . . . . 99 LEU CG . 16498 1 469 . 1 1 39 39 LEU N N 15 112.4 0.2 . 1 . . . . 99 LEU N . 16498 1 470 . 1 1 40 40 TYR H H 1 8.35 0.02 . 1 . . . . 100 TYR H . 16498 1 471 . 1 1 40 40 TYR HA H 1 4.17 0.02 . 1 . . . . 100 TYR HA . 16498 1 472 . 1 1 40 40 TYR HB2 H 1 2.95 0.02 . 2 . . . . 100 TYR HB2 . 16498 1 473 . 1 1 40 40 TYR HB3 H 1 3.75 0.02 . 2 . . . . 100 TYR HB3 . 16498 1 474 . 1 1 40 40 TYR HD1 H 1 7.10 0.02 . 3 . . . . 100 TYR HD1 . 16498 1 475 . 1 1 40 40 TYR HD2 H 1 7.10 0.02 . 3 . . . . 100 TYR HD2 . 16498 1 476 . 1 1 40 40 TYR HE1 H 1 6.78 0.02 . 3 . . . . 100 TYR HE1 . 16498 1 477 . 1 1 40 40 TYR HE2 H 1 6.78 0.02 . 3 . . . . 100 TYR HE2 . 16498 1 478 . 1 1 40 40 TYR C C 13 178.3 0.2 . 1 . . . . 100 TYR C . 16498 1 479 . 1 1 40 40 TYR CA C 13 63.4 0.2 . 1 . . . . 100 TYR CA . 16498 1 480 . 1 1 40 40 TYR CB C 13 38.6 0.2 . 1 . . . . 100 TYR CB . 16498 1 481 . 1 1 40 40 TYR CD1 C 13 133.3 0.2 . 3 . . . . 100 TYR CD1 . 16498 1 482 . 1 1 40 40 TYR CD2 C 13 133.3 0.2 . 3 . . . . 100 TYR CD2 . 16498 1 483 . 1 1 40 40 TYR CE1 C 13 118.9 0.2 . 3 . . . . 100 TYR CE1 . 16498 1 484 . 1 1 40 40 TYR CE2 C 13 118.9 0.2 . 3 . . . . 100 TYR CE2 . 16498 1 485 . 1 1 40 40 TYR N N 15 119.4 0.2 . 1 . . . . 100 TYR N . 16498 1 486 . 1 1 41 41 MET H H 1 8.64 0.02 . 1 . . . . 101 MET H . 16498 1 487 . 1 1 41 41 MET HA H 1 4.26 0.02 . 1 . . . . 101 MET HA . 16498 1 488 . 1 1 41 41 MET C C 13 177.0 0.2 . 1 . . . . 101 MET C . 16498 1 489 . 1 1 41 41 MET CA C 13 54.6 0.2 . 1 . . . . 101 MET CA . 16498 1 490 . 1 1 41 41 MET N N 15 111.8 0.2 . 1 . . . . 101 MET N . 16498 1 491 . 1 1 42 42 LYS H H 1 7.88 0.02 . 1 . . . . 102 LYS H . 16498 1 492 . 1 1 42 42 LYS HA H 1 4.43 0.02 . 1 . . . . 102 LYS HA . 16498 1 493 . 1 1 42 42 LYS HB2 H 1 1.84 0.02 . 2 . . . . 102 LYS HB2 . 16498 1 494 . 1 1 42 42 LYS HB3 H 1 1.98 0.02 . 2 . . . . 102 LYS HB3 . 16498 1 495 . 1 1 42 42 LYS HD2 H 1 1.65 0.02 . 2 . . . . 102 LYS HD2 . 16498 1 496 . 1 1 42 42 LYS HD3 H 1 1.65 0.02 . 2 . . . . 102 LYS HD3 . 16498 1 497 . 1 1 42 42 LYS HE2 H 1 2.98 0.02 . 2 . . . . 102 LYS HE2 . 16498 1 498 . 1 1 42 42 LYS HE3 H 1 2.98 0.02 . 2 . . . . 102 LYS HE3 . 16498 1 499 . 1 1 42 42 LYS HG2 H 1 1.55 0.02 . 2 . . . . 102 LYS HG2 . 16498 1 500 . 1 1 42 42 LYS HG3 H 1 1.55 0.02 . 2 . . . . 102 LYS HG3 . 16498 1 501 . 1 1 42 42 LYS C C 13 176.3 0.2 . 1 . . . . 102 LYS C . 16498 1 502 . 1 1 42 42 LYS CA C 13 56.0 0.2 . 1 . . . . 102 LYS CA . 16498 1 503 . 1 1 42 42 LYS CB C 13 33.4 0.2 . 1 . . . . 102 LYS CB . 16498 1 504 . 1 1 42 42 LYS CD C 13 29.6 0.2 . 1 . . . . 102 LYS CD . 16498 1 505 . 1 1 42 42 LYS CE C 13 42.1 0.2 . 1 . . . . 102 LYS CE . 16498 1 506 . 1 1 42 42 LYS CG C 13 25.8 0.2 . 1 . . . . 102 LYS CG . 16498 1 507 . 1 1 42 42 LYS N N 15 121.7 0.2 . 1 . . . . 102 LYS N . 16498 1 508 . 1 1 43 43 SER H H 1 9.16 0.02 . 1 . . . . 103 SER H . 16498 1 509 . 1 1 43 43 SER HA H 1 4.62 0.02 . 1 . . . . 103 SER HA . 16498 1 510 . 1 1 43 43 SER HB2 H 1 3.97 0.02 . 2 . . . . 103 SER HB2 . 16498 1 511 . 1 1 43 43 SER HB3 H 1 4.01 0.02 . 2 . . . . 103 SER HB3 . 16498 1 512 . 1 1 43 43 SER HG H 1 4.99 0.02 . 1 . . . . 103 SER HG . 16498 1 513 . 1 1 43 43 SER C C 13 176.3 0.2 . 1 . . . . 103 SER C . 16498 1 514 . 1 1 43 43 SER CA C 13 58.7 0.2 . 1 . . . . 103 SER CA . 16498 1 515 . 1 1 43 43 SER CB C 13 63.7 0.2 . 1 . . . . 103 SER CB . 16498 1 516 . 1 1 43 43 SER N N 15 118.8 0.2 . 1 . . . . 103 SER N . 16498 1 517 . 1 1 44 44 LEU H H 1 8.86 0.02 . 1 . . . . 104 LEU H . 16498 1 518 . 1 1 44 44 LEU HA H 1 4.13 0.02 . 1 . . . . 104 LEU HA . 16498 1 519 . 1 1 44 44 LEU HB2 H 1 1.63 0.02 . 2 . . . . 104 LEU HB2 . 16498 1 520 . 1 1 44 44 LEU HB3 H 1 1.83 0.02 . 2 . . . . 104 LEU HB3 . 16498 1 521 . 1 1 44 44 LEU HD11 H 1 0.50 0.02 . 2 . . . . 104 LEU HD1 . 16498 1 522 . 1 1 44 44 LEU HD12 H 1 0.50 0.02 . 2 . . . . 104 LEU HD1 . 16498 1 523 . 1 1 44 44 LEU HD13 H 1 0.50 0.02 . 2 . . . . 104 LEU HD1 . 16498 1 524 . 1 1 44 44 LEU HD21 H 1 0.44 0.02 . 2 . . . . 104 LEU HD2 . 16498 1 525 . 1 1 44 44 LEU HD22 H 1 0.44 0.02 . 2 . . . . 104 LEU HD2 . 16498 1 526 . 1 1 44 44 LEU HD23 H 1 0.44 0.02 . 2 . . . . 104 LEU HD2 . 16498 1 527 . 1 1 44 44 LEU HG H 1 1.76 0.02 . 1 . . . . 104 LEU HG . 16498 1 528 . 1 1 44 44 LEU C C 13 178.7 0.2 . 1 . . . . 104 LEU C . 16498 1 529 . 1 1 44 44 LEU CA C 13 58.8 0.2 . 1 . . . . 104 LEU CA . 16498 1 530 . 1 1 44 44 LEU CB C 13 42.6 0.2 . 1 . . . . 104 LEU CB . 16498 1 531 . 1 1 44 44 LEU CD1 C 13 23.6 0.2 . 2 . . . . 104 LEU CD1 . 16498 1 532 . 1 1 44 44 LEU CD2 C 13 26.4 0.2 . 2 . . . . 104 LEU CD2 . 16498 1 533 . 1 1 44 44 LEU CG C 13 26.4 0.2 . 1 . . . . 104 LEU CG . 16498 1 534 . 1 1 44 44 LEU N N 15 124.2 0.2 . 1 . . . . 104 LEU N . 16498 1 535 . 1 1 45 45 SER H H 1 8.33 0.02 . 1 . . . . 105 SER H . 16498 1 536 . 1 1 45 45 SER HA H 1 4.31 0.02 . 1 . . . . 105 SER HA . 16498 1 537 . 1 1 45 45 SER HB2 H 1 3.96 0.02 . 2 . . . . 105 SER HB2 . 16498 1 538 . 1 1 45 45 SER HB3 H 1 4.14 0.02 . 2 . . . . 105 SER HB3 . 16498 1 539 . 1 1 45 45 SER C C 13 175.0 0.2 . 1 . . . . 105 SER C . 16498 1 540 . 1 1 45 45 SER CA C 13 60.1 0.2 . 1 . . . . 105 SER CA . 16498 1 541 . 1 1 45 45 SER CB C 13 63.4 0.2 . 1 . . . . 105 SER CB . 16498 1 542 . 1 1 45 45 SER N N 15 107.7 0.2 . 1 . . . . 105 SER N . 16498 1 543 . 1 1 46 46 GLU H H 1 7.80 0.02 . 1 . . . . 106 GLU H . 16498 1 544 . 1 1 46 46 GLU HA H 1 4.57 0.02 . 1 . . . . 106 GLU HA . 16498 1 545 . 1 1 46 46 GLU HB2 H 1 2.21 0.02 . 2 . . . . 106 GLU HB2 . 16498 1 546 . 1 1 46 46 GLU HB3 H 1 2.21 0.02 . 2 . . . . 106 GLU HB3 . 16498 1 547 . 1 1 46 46 GLU HG2 H 1 2.24 0.02 . 2 . . . . 106 GLU HG2 . 16498 1 548 . 1 1 46 46 GLU HG3 H 1 2.56 0.02 . 2 . . . . 106 GLU HG3 . 16498 1 549 . 1 1 46 46 GLU C C 13 174.1 0.2 . 1 . . . . 106 GLU C . 16498 1 550 . 1 1 46 46 GLU CA C 13 55.6 0.2 . 1 . . . . 106 GLU CA . 16498 1 551 . 1 1 46 46 GLU CB C 13 31.2 0.2 . 1 . . . . 106 GLU CB . 16498 1 552 . 1 1 46 46 GLU CG C 13 36.6 0.2 . 1 . . . . 106 GLU CG . 16498 1 553 . 1 1 46 46 GLU N N 15 119.6 0.2 . 1 . . . . 106 GLU N . 16498 1 554 . 1 1 47 47 ILE H H 1 7.10 0.02 . 1 . . . . 107 ILE H . 16498 1 555 . 1 1 47 47 ILE HA H 1 4.04 0.02 . 1 . . . . 107 ILE HA . 16498 1 556 . 1 1 47 47 ILE HB H 1 2.03 0.02 . 1 . . . . 107 ILE HB . 16498 1 557 . 1 1 47 47 ILE HD11 H 1 1.06 0.02 . 1 . . . . 107 ILE HD1 . 16498 1 558 . 1 1 47 47 ILE HD12 H 1 1.06 0.02 . 1 . . . . 107 ILE HD1 . 16498 1 559 . 1 1 47 47 ILE HD13 H 1 1.06 0.02 . 1 . . . . 107 ILE HD1 . 16498 1 560 . 1 1 47 47 ILE HG12 H 1 1.00 0.02 . 2 . . . . 107 ILE HG12 . 16498 1 561 . 1 1 47 47 ILE HG13 H 1 2.17 0.02 . 2 . . . . 107 ILE HG13 . 16498 1 562 . 1 1 47 47 ILE HG21 H 1 0.94 0.02 . 1 . . . . 107 ILE HG2 . 16498 1 563 . 1 1 47 47 ILE HG22 H 1 0.94 0.02 . 1 . . . . 107 ILE HG2 . 16498 1 564 . 1 1 47 47 ILE HG23 H 1 0.94 0.02 . 1 . . . . 107 ILE HG2 . 16498 1 565 . 1 1 47 47 ILE C C 13 174.1 0.2 . 1 . . . . 107 ILE C . 16498 1 566 . 1 1 47 47 ILE CA C 13 62.3 0.2 . 1 . . . . 107 ILE CA . 16498 1 567 . 1 1 47 47 ILE CB C 13 38.5 0.2 . 1 . . . . 107 ILE CB . 16498 1 568 . 1 1 47 47 ILE CD1 C 13 15.5 0.2 . 1 . . . . 107 ILE CD1 . 16498 1 569 . 1 1 47 47 ILE CG1 C 13 29.1 0.2 . 1 . . . . 107 ILE CG1 . 16498 1 570 . 1 1 47 47 ILE CG2 C 13 18.4 0.2 . 1 . . . . 107 ILE CG2 . 16498 1 571 . 1 1 47 47 ILE N N 15 120.6 0.2 . 1 . . . . 107 ILE N . 16498 1 572 . 1 1 48 48 LEU H H 1 9.18 0.02 . 1 . . . . 108 LEU H . 16498 1 573 . 1 1 48 48 LEU HA H 1 4.94 0.02 . 1 . . . . 108 LEU HA . 16498 1 574 . 1 1 48 48 LEU HB2 H 1 1.58 0.02 . 2 . . . . 108 LEU HB2 . 16498 1 575 . 1 1 48 48 LEU HB3 H 1 1.77 0.02 . 2 . . . . 108 LEU HB3 . 16498 1 576 . 1 1 48 48 LEU HD11 H 1 0.93 0.02 . 2 . . . . 108 LEU HD1 . 16498 1 577 . 1 1 48 48 LEU HD12 H 1 0.93 0.02 . 2 . . . . 108 LEU HD1 . 16498 1 578 . 1 1 48 48 LEU HD13 H 1 0.93 0.02 . 2 . . . . 108 LEU HD1 . 16498 1 579 . 1 1 48 48 LEU HD21 H 1 0.99 0.02 . 2 . . . . 108 LEU HD2 . 16498 1 580 . 1 1 48 48 LEU HD22 H 1 0.99 0.02 . 2 . . . . 108 LEU HD2 . 16498 1 581 . 1 1 48 48 LEU HD23 H 1 0.99 0.02 . 2 . . . . 108 LEU HD2 . 16498 1 582 . 1 1 48 48 LEU HG H 1 1.84 0.02 . 1 . . . . 108 LEU HG . 16498 1 583 . 1 1 48 48 LEU CA C 13 51.9 0.2 . 1 . . . . 108 LEU CA . 16498 1 584 . 1 1 48 48 LEU CB C 13 42.0 0.2 . 1 . . . . 108 LEU CB . 16498 1 585 . 1 1 48 48 LEU CD1 C 13 22.8 0.2 . 2 . . . . 108 LEU CD1 . 16498 1 586 . 1 1 48 48 LEU CD2 C 13 25.6 0.2 . 1 . . . . 108 LEU CD2 . 16498 1 587 . 1 1 48 48 LEU CG C 13 27.0 0.2 . 1 . . . . 108 LEU CG . 16498 1 588 . 1 1 48 48 LEU N N 15 129.4 0.2 . 1 . . . . 108 LEU N . 16498 1 589 . 1 1 49 49 PRO HA H 1 3.91 0.02 . 1 . . . . 109 PRO HA . 16498 1 590 . 1 1 49 49 PRO HB2 H 1 2.03 0.02 . 2 . . . . 109 PRO HB2 . 16498 1 591 . 1 1 49 49 PRO HB3 H 1 2.36 0.02 . 2 . . . . 109 PRO HB3 . 16498 1 592 . 1 1 49 49 PRO HD2 H 1 3.82 0.02 . 2 . . . . 109 PRO HD2 . 16498 1 593 . 1 1 49 49 PRO HD3 H 1 4.02 0.02 . 2 . . . . 109 PRO HD3 . 16498 1 594 . 1 1 49 49 PRO HG2 H 1 2.27 0.02 . 2 . . . . 109 PRO HG2 . 16498 1 595 . 1 1 49 49 PRO HG3 H 1 2.27 0.02 . 2 . . . . 109 PRO HG3 . 16498 1 596 . 1 1 49 49 PRO C C 13 178.5 0.2 . 1 . . . . 109 PRO C . 16498 1 597 . 1 1 49 49 PRO CA C 13 66.6 0.2 . 1 . . . . 109 PRO CA . 16498 1 598 . 1 1 49 49 PRO CB C 13 31.3 0.2 . 1 . . . . 109 PRO CB . 16498 1 599 . 1 1 49 49 PRO CD C 13 50.1 0.2 . 1 . . . . 109 PRO CD . 16498 1 600 . 1 1 49 49 PRO CG C 13 28.3 0.2 . 1 . . . . 109 PRO CG . 16498 1 601 . 1 1 50 50 ALA H H 1 8.28 0.02 . 1 . . . . 110 ALA H . 16498 1 602 . 1 1 50 50 ALA HA H 1 4.11 0.02 . 1 . . . . 110 ALA HA . 16498 1 603 . 1 1 50 50 ALA HB1 H 1 1.42 0.02 . 1 . . . . 110 ALA HB . 16498 1 604 . 1 1 50 50 ALA HB2 H 1 1.42 0.02 . 1 . . . . 110 ALA HB . 16498 1 605 . 1 1 50 50 ALA HB3 H 1 1.42 0.02 . 1 . . . . 110 ALA HB . 16498 1 606 . 1 1 50 50 ALA C C 13 179.7 0.2 . 1 . . . . 110 ALA C . 16498 1 607 . 1 1 50 50 ALA CA C 13 55.1 0.2 . 1 . . . . 110 ALA CA . 16498 1 608 . 1 1 50 50 ALA CB C 13 19.2 0.2 . 1 . . . . 110 ALA CB . 16498 1 609 . 1 1 50 50 ALA N N 15 116.1 0.2 . 1 . . . . 110 ALA N . 16498 1 610 . 1 1 51 51 ASP H H 1 7.79 0.02 . 1 . . . . 111 ASP H . 16498 1 611 . 1 1 51 51 ASP HA H 1 4.44 0.02 . 1 . . . . 111 ASP HA . 16498 1 612 . 1 1 51 51 ASP HB2 H 1 2.56 0.02 . 2 . . . . 111 ASP HB2 . 16498 1 613 . 1 1 51 51 ASP HB3 H 1 2.97 0.02 . 2 . . . . 111 ASP HB3 . 16498 1 614 . 1 1 51 51 ASP C C 13 178.2 0.2 . 1 . . . . 111 ASP C . 16498 1 615 . 1 1 51 51 ASP CA C 13 57.6 0.2 . 1 . . . . 111 ASP CA . 16498 1 616 . 1 1 51 51 ASP CB C 13 41.8 0.2 . 1 . . . . 111 ASP CB . 16498 1 617 . 1 1 51 51 ASP N N 15 116.5 0.2 . 1 . . . . 111 ASP N . 16498 1 618 . 1 1 52 52 ILE H H 1 7.02 0.02 . 1 . . . . 112 ILE H . 16498 1 619 . 1 1 52 52 ILE HA H 1 3.75 0.02 . 1 . . . . 112 ILE HA . 16498 1 620 . 1 1 52 52 ILE HB H 1 1.84 0.02 . 1 . . . . 112 ILE HB . 16498 1 621 . 1 1 52 52 ILE HD11 H 1 0.71 0.02 . 1 . . . . 112 ILE HD1 . 16498 1 622 . 1 1 52 52 ILE HD12 H 1 0.71 0.02 . 1 . . . . 112 ILE HD1 . 16498 1 623 . 1 1 52 52 ILE HD13 H 1 0.71 0.02 . 1 . . . . 112 ILE HD1 . 16498 1 624 . 1 1 52 52 ILE HG12 H 1 0.81 0.02 . 2 . . . . 112 ILE HG12 . 16498 1 625 . 1 1 52 52 ILE HG13 H 1 1.57 0.02 . 2 . . . . 112 ILE HG13 . 16498 1 626 . 1 1 52 52 ILE HG21 H 1 0.82 0.02 . 1 . . . . 112 ILE HG2 . 16498 1 627 . 1 1 52 52 ILE HG22 H 1 0.82 0.02 . 1 . . . . 112 ILE HG2 . 16498 1 628 . 1 1 52 52 ILE HG23 H 1 0.82 0.02 . 1 . . . . 112 ILE HG2 . 16498 1 629 . 1 1 52 52 ILE C C 13 177.3 0.2 . 1 . . . . 112 ILE C . 16498 1 630 . 1 1 52 52 ILE CA C 13 63.5 0.2 . 1 . . . . 112 ILE CA . 16498 1 631 . 1 1 52 52 ILE CB C 13 37.5 0.2 . 1 . . . . 112 ILE CB . 16498 1 632 . 1 1 52 52 ILE CD1 C 13 13.8 0.2 . 1 . . . . 112 ILE CD1 . 16498 1 633 . 1 1 52 52 ILE CG1 C 13 28.8 0.2 . 1 . . . . 112 ILE CG1 . 16498 1 634 . 1 1 52 52 ILE CG2 C 13 17.6 0.2 . 1 . . . . 112 ILE CG2 . 16498 1 635 . 1 1 52 52 ILE N N 15 116.7 0.2 . 1 . . . . 112 ILE N . 16498 1 636 . 1 1 53 53 GLN H H 1 9.15 0.02 . 1 . . . . 113 GLN H . 16498 1 637 . 1 1 53 53 GLN HA H 1 3.72 0.02 . 1 . . . . 113 GLN HA . 16498 1 638 . 1 1 53 53 GLN HB2 H 1 2.20 0.02 . 2 . . . . 113 GLN HB2 . 16498 1 639 . 1 1 53 53 GLN HB3 H 1 2.20 0.02 . 2 . . . . 113 GLN HB3 . 16498 1 640 . 1 1 53 53 GLN HE21 H 1 7.50 0.02 . 2 . . . . 113 GLN HE21 . 16498 1 641 . 1 1 53 53 GLN HE22 H 1 8.26 0.02 . 2 . . . . 113 GLN HE22 . 16498 1 642 . 1 1 53 53 GLN HG2 H 1 2.34 0.02 . 2 . . . . 113 GLN HG2 . 16498 1 643 . 1 1 53 53 GLN HG3 H 1 2.41 0.02 . 2 . . . . 113 GLN HG3 . 16498 1 644 . 1 1 53 53 GLN C C 13 177.5 0.2 . 1 . . . . 113 GLN C . 16498 1 645 . 1 1 53 53 GLN CA C 13 58.2 0.2 . 1 . . . . 113 GLN CA . 16498 1 646 . 1 1 53 53 GLN CB C 13 30.2 0.2 . 1 . . . . 113 GLN CB . 16498 1 647 . 1 1 53 53 GLN CD C 13 180.5 0.2 . 1 . . . . 113 GLN CD . 16498 1 648 . 1 1 53 53 GLN CG C 13 33.9 0.2 . 1 . . . . 113 GLN CG . 16498 1 649 . 1 1 53 53 GLN N N 15 121.2 0.2 . 1 . . . . 113 GLN N . 16498 1 650 . 1 1 53 53 GLN NE2 N 15 117.0 0.2 . 1 . . . . 113 GLN NE2 . 16498 1 651 . 1 1 54 54 SER H H 1 8.15 0.02 . 1 . . . . 114 SER H . 16498 1 652 . 1 1 54 54 SER HA H 1 4.18 0.02 . 1 . . . . 114 SER HA . 16498 1 653 . 1 1 54 54 SER HB2 H 1 3.96 0.02 . 2 . . . . 114 SER HB2 . 16498 1 654 . 1 1 54 54 SER HB3 H 1 4.01 0.02 . 2 . . . . 114 SER HB3 . 16498 1 655 . 1 1 54 54 SER C C 13 175.9 0.2 . 1 . . . . 114 SER C . 16498 1 656 . 1 1 54 54 SER CA C 13 62.1 0.2 . 1 . . . . 114 SER CA . 16498 1 657 . 1 1 54 54 SER CB C 13 62.8 0.2 . 1 . . . . 114 SER CB . 16498 1 658 . 1 1 54 54 SER N N 15 112.2 0.2 . 1 . . . . 114 SER N . 16498 1 659 . 1 1 55 55 ILE H H 1 6.76 0.02 . 1 . . . . 115 ILE H . 16498 1 660 . 1 1 55 55 ILE HA H 1 3.86 0.02 . 1 . . . . 115 ILE HA . 16498 1 661 . 1 1 55 55 ILE HB H 1 2.00 0.02 . 1 . . . . 115 ILE HB . 16498 1 662 . 1 1 55 55 ILE HD11 H 1 0.99 0.02 . 1 . . . . 115 ILE HD1 . 16498 1 663 . 1 1 55 55 ILE HD12 H 1 0.99 0.02 . 1 . . . . 115 ILE HD1 . 16498 1 664 . 1 1 55 55 ILE HD13 H 1 0.99 0.02 . 1 . . . . 115 ILE HD1 . 16498 1 665 . 1 1 55 55 ILE HG12 H 1 1.22 0.02 . 2 . . . . 115 ILE HG12 . 16498 1 666 . 1 1 55 55 ILE HG13 H 1 1.90 0.02 . 2 . . . . 115 ILE HG13 . 16498 1 667 . 1 1 55 55 ILE HG21 H 1 0.94 0.02 . 1 . . . . 115 ILE HG2 . 16498 1 668 . 1 1 55 55 ILE HG22 H 1 0.94 0.02 . 1 . . . . 115 ILE HG2 . 16498 1 669 . 1 1 55 55 ILE HG23 H 1 0.94 0.02 . 1 . . . . 115 ILE HG2 . 16498 1 670 . 1 1 55 55 ILE C C 13 179.2 0.2 . 1 . . . . 115 ILE C . 16498 1 671 . 1 1 55 55 ILE CA C 13 64.7 0.2 . 1 . . . . 115 ILE CA . 16498 1 672 . 1 1 55 55 ILE CB C 13 38.9 0.2 . 1 . . . . 115 ILE CB . 16498 1 673 . 1 1 55 55 ILE CD1 C 13 14.3 0.2 . 1 . . . . 115 ILE CD1 . 16498 1 674 . 1 1 55 55 ILE CG1 C 13 28.8 0.2 . 1 . . . . 115 ILE CG1 . 16498 1 675 . 1 1 55 55 ILE CG2 C 13 16.3 0.2 . 1 . . . . 115 ILE CG2 . 16498 1 676 . 1 1 55 55 ILE N N 15 119.5 0.2 . 1 . . . . 115 ILE N . 16498 1 677 . 1 1 56 56 ILE H H 1 7.75 0.02 . 1 . . . . 116 ILE H . 16498 1 678 . 1 1 56 56 ILE HA H 1 3.69 0.02 . 1 . . . . 116 ILE HA . 16498 1 679 . 1 1 56 56 ILE HB H 1 2.17 0.02 . 1 . . . . 116 ILE HB . 16498 1 680 . 1 1 56 56 ILE HD11 H 1 0.68 0.02 . 1 . . . . 116 ILE HD1 . 16498 1 681 . 1 1 56 56 ILE HD12 H 1 0.68 0.02 . 1 . . . . 116 ILE HD1 . 16498 1 682 . 1 1 56 56 ILE HD13 H 1 0.68 0.02 . 1 . . . . 116 ILE HD1 . 16498 1 683 . 1 1 56 56 ILE HG12 H 1 1.27 0.02 . 2 . . . . 116 ILE HG12 . 16498 1 684 . 1 1 56 56 ILE HG13 H 1 1.55 0.02 . 2 . . . . 116 ILE HG13 . 16498 1 685 . 1 1 56 56 ILE HG21 H 1 1.02 0.02 . 1 . . . . 116 ILE HG2 . 16498 1 686 . 1 1 56 56 ILE HG22 H 1 1.02 0.02 . 1 . . . . 116 ILE HG2 . 16498 1 687 . 1 1 56 56 ILE HG23 H 1 1.02 0.02 . 1 . . . . 116 ILE HG2 . 16498 1 688 . 1 1 56 56 ILE C C 13 176.9 0.2 . 1 . . . . 116 ILE C . 16498 1 689 . 1 1 56 56 ILE CA C 13 62.8 0.2 . 1 . . . . 116 ILE CA . 16498 1 690 . 1 1 56 56 ILE CB C 13 36.2 0.2 . 1 . . . . 116 ILE CB . 16498 1 691 . 1 1 56 56 ILE CD1 C 13 10.9 0.2 . 1 . . . . 116 ILE CD1 . 16498 1 692 . 1 1 56 56 ILE CG1 C 13 28.5 0.2 . 1 . . . . 116 ILE CG1 . 16498 1 693 . 1 1 56 56 ILE CG2 C 13 18.4 0.2 . 1 . . . . 116 ILE CG2 . 16498 1 694 . 1 1 56 56 ILE N N 15 120.2 0.2 . 1 . . . . 116 ILE N . 16498 1 695 . 1 1 57 57 ASN H H 1 8.69 0.02 . 1 . . . . 117 ASN H . 16498 1 696 . 1 1 57 57 ASN HA H 1 4.44 0.02 . 1 . . . . 117 ASN HA . 16498 1 697 . 1 1 57 57 ASN HB2 H 1 2.96 0.02 . 2 . . . . 117 ASN HB2 . 16498 1 698 . 1 1 57 57 ASN HB3 H 1 3.04 0.02 . 2 . . . . 117 ASN HB3 . 16498 1 699 . 1 1 57 57 ASN HD21 H 1 6.84 0.02 . 2 . . . . 117 ASN HD21 . 16498 1 700 . 1 1 57 57 ASN HD22 H 1 7.65 0.02 . 2 . . . . 117 ASN HD22 . 16498 1 701 . 1 1 57 57 ASN C C 13 177.2 0.2 . 1 . . . . 117 ASN C . 16498 1 702 . 1 1 57 57 ASN CA C 13 54.8 0.2 . 1 . . . . 117 ASN CA . 16498 1 703 . 1 1 57 57 ASN CB C 13 38.1 0.2 . 1 . . . . 117 ASN CB . 16498 1 704 . 1 1 57 57 ASN CG C 13 176.4 0.2 . 1 . . . . 117 ASN CG . 16498 1 705 . 1 1 57 57 ASN N N 15 117.0 0.2 . 1 . . . . 117 ASN N . 16498 1 706 . 1 1 57 57 ASN ND2 N 15 108.8 0.2 . 1 . . . . 117 ASN ND2 . 16498 1 707 . 1 1 58 58 GLU H H 1 7.63 0.02 . 1 . . . . 118 GLU H . 16498 1 708 . 1 1 58 58 GLU HA H 1 4.45 0.02 . 1 . . . . 118 GLU HA . 16498 1 709 . 1 1 58 58 GLU HB2 H 1 2.05 0.02 . 2 . . . . 118 GLU HB2 . 16498 1 710 . 1 1 58 58 GLU HB3 H 1 2.29 0.02 . 2 . . . . 118 GLU HB3 . 16498 1 711 . 1 1 58 58 GLU HG2 H 1 2.46 0.02 . 2 . . . . 118 GLU HG2 . 16498 1 712 . 1 1 58 58 GLU HG3 H 1 2.46 0.02 . 2 . . . . 118 GLU HG3 . 16498 1 713 . 1 1 58 58 GLU C C 13 176.5 0.2 . 1 . . . . 118 GLU C . 16498 1 714 . 1 1 58 58 GLU CA C 13 56.2 0.2 . 1 . . . . 118 GLU CA . 16498 1 715 . 1 1 58 58 GLU CB C 13 30.2 0.2 . 1 . . . . 118 GLU CB . 16498 1 716 . 1 1 58 58 GLU CG C 13 36.0 0.2 . 1 . . . . 118 GLU CG . 16498 1 717 . 1 1 58 58 GLU N N 15 116.3 0.2 . 1 . . . . 118 GLU N . 16498 1 718 . 1 1 59 59 THR H H 1 7.54 0.02 . 1 . . . . 119 THR H . 16498 1 719 . 1 1 59 59 THR HA H 1 4.23 0.02 . 1 . . . . 119 THR HA . 16498 1 720 . 1 1 59 59 THR HB H 1 4.17 0.02 . 1 . . . . 119 THR HB . 16498 1 721 . 1 1 59 59 THR HG21 H 1 1.08 0.02 . 1 . . . . 119 THR HG2 . 16498 1 722 . 1 1 59 59 THR HG22 H 1 1.08 0.02 . 1 . . . . 119 THR HG2 . 16498 1 723 . 1 1 59 59 THR HG23 H 1 1.08 0.02 . 1 . . . . 119 THR HG2 . 16498 1 724 . 1 1 59 59 THR C C 13 174.2 0.2 . 1 . . . . 119 THR C . 16498 1 725 . 1 1 59 59 THR CA C 13 63.8 0.2 . 1 . . . . 119 THR CA . 16498 1 726 . 1 1 59 59 THR CB C 13 68.9 0.2 . 1 . . . . 119 THR CB . 16498 1 727 . 1 1 59 59 THR CG2 C 13 21.5 0.2 . 1 . . . . 119 THR CG2 . 16498 1 728 . 1 1 59 59 THR N N 15 117.6 0.2 . 1 . . . . 119 THR N . 16498 1 729 . 1 1 60 60 LYS H H 1 8.86 0.02 . 1 . . . . 120 LYS H . 16498 1 730 . 1 1 60 60 LYS HA H 1 4.49 0.02 . 1 . . . . 120 LYS HA . 16498 1 731 . 1 1 60 60 LYS HB2 H 1 1.83 0.02 . 2 . . . . 120 LYS HB2 . 16498 1 732 . 1 1 60 60 LYS HB3 H 1 1.83 0.02 . 2 . . . . 120 LYS HB3 . 16498 1 733 . 1 1 60 60 LYS HD2 H 1 1.64 0.02 . 2 . . . . 120 LYS HD2 . 16498 1 734 . 1 1 60 60 LYS HD3 H 1 1.64 0.02 . 2 . . . . 120 LYS HD3 . 16498 1 735 . 1 1 60 60 LYS HE2 H 1 3.02 0.02 . 2 . . . . 120 LYS HE2 . 16498 1 736 . 1 1 60 60 LYS HE3 H 1 3.02 0.02 . 2 . . . . 120 LYS HE3 . 16498 1 737 . 1 1 60 60 LYS HG2 H 1 1.38 0.02 . 2 . . . . 120 LYS HG2 . 16498 1 738 . 1 1 60 60 LYS HG3 H 1 1.49 0.02 . 2 . . . . 120 LYS HG3 . 16498 1 739 . 1 1 60 60 LYS C C 13 175.8 0.2 . 1 . . . . 120 LYS C . 16498 1 740 . 1 1 60 60 LYS CA C 13 54.9 0.2 . 1 . . . . 120 LYS CA . 16498 1 741 . 1 1 60 60 LYS CB C 13 29.8 0.2 . 1 . . . . 120 LYS CB . 16498 1 742 . 1 1 60 60 LYS CD C 13 28.8 0.2 . 1 . . . . 120 LYS CD . 16498 1 743 . 1 1 60 60 LYS CE C 13 42.3 0.2 . 1 . . . . 120 LYS CE . 16498 1 744 . 1 1 60 60 LYS CG C 13 24.4 0.2 . 1 . . . . 120 LYS CG . 16498 1 745 . 1 1 60 60 LYS N N 15 128.5 0.2 . 1 . . . . 120 LYS N . 16498 1 746 . 1 1 61 61 LEU H H 1 7.15 0.02 . 1 . . . . 121 LEU H . 16498 1 747 . 1 1 61 61 LEU HA H 1 4.71 0.02 . 1 . . . . 121 LEU HA . 16498 1 748 . 1 1 61 61 LEU HB2 H 1 1.25 0.02 . 2 . . . . 121 LEU HB2 . 16498 1 749 . 1 1 61 61 LEU HB3 H 1 1.61 0.02 . 2 . . . . 121 LEU HB3 . 16498 1 750 . 1 1 61 61 LEU HD11 H 1 1.07 0.02 . 2 . . . . 121 LEU HD1 . 16498 1 751 . 1 1 61 61 LEU HD12 H 1 1.07 0.02 . 2 . . . . 121 LEU HD1 . 16498 1 752 . 1 1 61 61 LEU HD13 H 1 1.07 0.02 . 2 . . . . 121 LEU HD1 . 16498 1 753 . 1 1 61 61 LEU HD21 H 1 0.76 0.02 . 2 . . . . 121 LEU HD2 . 16498 1 754 . 1 1 61 61 LEU HD22 H 1 0.76 0.02 . 2 . . . . 121 LEU HD2 . 16498 1 755 . 1 1 61 61 LEU HD23 H 1 0.76 0.02 . 2 . . . . 121 LEU HD2 . 16498 1 756 . 1 1 61 61 LEU HG H 1 1.49 0.02 . 1 . . . . 121 LEU HG . 16498 1 757 . 1 1 61 61 LEU C C 13 175.0 0.2 . 1 . . . . 121 LEU C . 16498 1 758 . 1 1 61 61 LEU CA C 13 52.8 0.2 . 1 . . . . 121 LEU CA . 16498 1 759 . 1 1 61 61 LEU CB C 13 46.4 0.2 . 1 . . . . 121 LEU CB . 16498 1 760 . 1 1 61 61 LEU CD1 C 13 22.7 0.2 . 2 . . . . 121 LEU CD1 . 16498 1 761 . 1 1 61 61 LEU CD2 C 13 26.6 0.2 . 2 . . . . 121 LEU CD2 . 16498 1 762 . 1 1 61 61 LEU CG C 13 26.9 0.2 . 1 . . . . 121 LEU CG . 16498 1 763 . 1 1 61 61 LEU N N 15 120.7 0.2 . 1 . . . . 121 LEU N . 16498 1 764 . 1 1 62 62 ALA H H 1 8.00 0.02 . 1 . . . . 122 ALA H . 16498 1 765 . 1 1 62 62 ALA HA H 1 4.25 0.02 . 1 . . . . 122 ALA HA . 16498 1 766 . 1 1 62 62 ALA HB1 H 1 1.60 0.02 . 1 . . . . 122 ALA HB . 16498 1 767 . 1 1 62 62 ALA HB2 H 1 1.60 0.02 . 1 . . . . 122 ALA HB . 16498 1 768 . 1 1 62 62 ALA HB3 H 1 1.60 0.02 . 1 . . . . 122 ALA HB . 16498 1 769 . 1 1 62 62 ALA CA C 13 52.1 0.2 . 1 . . . . 122 ALA CA . 16498 1 770 . 1 1 62 62 ALA CB C 13 19.5 0.2 . 1 . . . . 122 ALA CB . 16498 1 771 . 1 1 62 62 ALA N N 15 119.9 0.2 . 1 . . . . 122 ALA N . 16498 1 772 . 1 1 63 63 LYS H H 1 8.77 0.02 . 1 . . . . 123 LYS H . 16498 1 773 . 1 1 63 63 LYS HA H 1 3.80 0.02 . 1 . . . . 123 LYS HA . 16498 1 774 . 1 1 63 63 LYS HB2 H 1 1.84 0.02 . 2 . . . . 123 LYS HB2 . 16498 1 775 . 1 1 63 63 LYS HB3 H 1 1.94 0.02 . 2 . . . . 123 LYS HB3 . 16498 1 776 . 1 1 63 63 LYS HD2 H 1 1.75 0.02 . 2 . . . . 123 LYS HD2 . 16498 1 777 . 1 1 63 63 LYS HD3 H 1 1.75 0.02 . 2 . . . . 123 LYS HD3 . 16498 1 778 . 1 1 63 63 LYS HE2 H 1 2.90 0.02 . 2 . . . . 123 LYS HE2 . 16498 1 779 . 1 1 63 63 LYS HE3 H 1 2.90 0.02 . 2 . . . . 123 LYS HE3 . 16498 1 780 . 1 1 63 63 LYS HG2 H 1 1.43 0.02 . 2 . . . . 123 LYS HG2 . 16498 1 781 . 1 1 63 63 LYS HG3 H 1 1.55 0.02 . 2 . . . . 123 LYS HG3 . 16498 1 782 . 1 1 63 63 LYS C C 13 178.3 0.2 . 1 . . . . 123 LYS C . 16498 1 783 . 1 1 63 63 LYS CA C 13 60.7 0.2 . 1 . . . . 123 LYS CA . 16498 1 784 . 1 1 63 63 LYS CB C 13 32.3 0.2 . 1 . . . . 123 LYS CB . 16498 1 785 . 1 1 63 63 LYS CD C 13 29.2 0.2 . 1 . . . . 123 LYS CD . 16498 1 786 . 1 1 63 63 LYS CE C 13 42.1 0.2 . 1 . . . . 123 LYS CE . 16498 1 787 . 1 1 63 63 LYS CG C 13 25.3 0.2 . 1 . . . . 123 LYS CG . 16498 1 788 . 1 1 63 63 LYS N N 15 121.4 0.2 . 1 . . . . 123 LYS N . 16498 1 789 . 1 1 64 64 ASN H H 1 9.02 0.02 . 1 . . . . 124 ASN H . 16498 1 790 . 1 1 64 64 ASN HA H 1 4.43 0.02 . 1 . . . . 124 ASN HA . 16498 1 791 . 1 1 64 64 ASN HB2 H 1 2.85 0.02 . 2 . . . . 124 ASN HB2 . 16498 1 792 . 1 1 64 64 ASN HB3 H 1 2.85 0.02 . 2 . . . . 124 ASN HB3 . 16498 1 793 . 1 1 64 64 ASN HD21 H 1 6.98 0.02 . 2 . . . . 124 ASN HD21 . 16498 1 794 . 1 1 64 64 ASN HD22 H 1 7.65 0.02 . 2 . . . . 124 ASN HD22 . 16498 1 795 . 1 1 64 64 ASN C C 13 178.3 0.2 . 1 . . . . 124 ASN C . 16498 1 796 . 1 1 64 64 ASN CA C 13 56.2 0.2 . 1 . . . . 124 ASN CA . 16498 1 797 . 1 1 64 64 ASN CB C 13 37.3 0.2 . 1 . . . . 124 ASN CB . 16498 1 798 . 1 1 64 64 ASN CG C 13 176.1 0.2 . 1 . . . . 124 ASN CG . 16498 1 799 . 1 1 64 64 ASN N N 15 115.0 0.2 . 1 . . . . 124 ASN N . 16498 1 800 . 1 1 64 64 ASN ND2 N 15 112.4 0.2 . 1 . . . . 124 ASN ND2 . 16498 1 801 . 1 1 65 65 THR H H 1 7.62 0.02 . 1 . . . . 125 THR H . 16498 1 802 . 1 1 65 65 THR HA H 1 4.03 0.02 . 1 . . . . 125 THR HA . 16498 1 803 . 1 1 65 65 THR HB H 1 4.29 0.02 . 1 . . . . 125 THR HB . 16498 1 804 . 1 1 65 65 THR HG21 H 1 1.27 0.02 . 1 . . . . 125 THR HG2 . 16498 1 805 . 1 1 65 65 THR HG22 H 1 1.27 0.02 . 1 . . . . 125 THR HG2 . 16498 1 806 . 1 1 65 65 THR HG23 H 1 1.27 0.02 . 1 . . . . 125 THR HG2 . 16498 1 807 . 1 1 65 65 THR C C 13 175.5 0.2 . 1 . . . . 125 THR C . 16498 1 808 . 1 1 65 65 THR CA C 13 66.0 0.2 . 1 . . . . 125 THR CA . 16498 1 809 . 1 1 65 65 THR CB C 13 67.6 0.2 . 1 . . . . 125 THR CB . 16498 1 810 . 1 1 65 65 THR CG2 C 13 23.3 0.2 . 1 . . . . 125 THR CG2 . 16498 1 811 . 1 1 65 65 THR N N 15 119.8 0.2 . 1 . . . . 125 THR N . 16498 1 812 . 1 1 66 66 LEU H H 1 8.02 0.02 . 1 . . . . 126 LEU H . 16498 1 813 . 1 1 66 66 LEU HA H 1 3.79 0.02 . 1 . . . . 126 LEU HA . 16498 1 814 . 1 1 66 66 LEU HB2 H 1 1.31 0.02 . 2 . . . . 126 LEU HB2 . 16498 1 815 . 1 1 66 66 LEU HB3 H 1 2.12 0.02 . 2 . . . . 126 LEU HB3 . 16498 1 816 . 1 1 66 66 LEU HD11 H 1 1.01 0.02 . 2 . . . . 126 LEU HD1 . 16498 1 817 . 1 1 66 66 LEU HD12 H 1 1.01 0.02 . 2 . . . . 126 LEU HD1 . 16498 1 818 . 1 1 66 66 LEU HD13 H 1 1.01 0.02 . 2 . . . . 126 LEU HD1 . 16498 1 819 . 1 1 66 66 LEU HD21 H 1 0.90 0.02 . 2 . . . . 126 LEU HD2 . 16498 1 820 . 1 1 66 66 LEU HD22 H 1 0.90 0.02 . 2 . . . . 126 LEU HD2 . 16498 1 821 . 1 1 66 66 LEU HD23 H 1 0.90 0.02 . 2 . . . . 126 LEU HD2 . 16498 1 822 . 1 1 66 66 LEU HG H 1 1.76 0.02 . 1 . . . . 126 LEU HG . 16498 1 823 . 1 1 66 66 LEU C C 13 179.2 0.2 . 1 . . . . 126 LEU C . 16498 1 824 . 1 1 66 66 LEU CA C 13 58.7 0.2 . 1 . . . . 126 LEU CA . 16498 1 825 . 1 1 66 66 LEU CB C 13 41.3 0.2 . 1 . . . . 126 LEU CB . 16498 1 826 . 1 1 66 66 LEU CD1 C 13 26.1 0.2 . 2 . . . . 126 LEU CD1 . 16498 1 827 . 1 1 66 66 LEU CD2 C 13 22.5 0.2 . 2 . . . . 126 LEU CD2 . 16498 1 828 . 1 1 66 66 LEU CG C 13 26.3 0.2 . 1 . . . . 126 LEU CG . 16498 1 829 . 1 1 66 66 LEU N N 15 121.2 0.2 . 1 . . . . 126 LEU N . 16498 1 830 . 1 1 67 67 LYS H H 1 8.38 0.02 . 1 . . . . 127 LYS H . 16498 1 831 . 1 1 67 67 LYS HA H 1 3.74 0.02 . 1 . . . . 127 LYS HA . 16498 1 832 . 1 1 67 67 LYS HB2 H 1 1.86 0.02 . 2 . . . . 127 LYS HB2 . 16498 1 833 . 1 1 67 67 LYS HB3 H 1 1.91 0.02 . 2 . . . . 127 LYS HB3 . 16498 1 834 . 1 1 67 67 LYS HD2 H 1 1.73 0.02 . 2 . . . . 127 LYS HD2 . 16498 1 835 . 1 1 67 67 LYS HD3 H 1 1.73 0.02 . 2 . . . . 127 LYS HD3 . 16498 1 836 . 1 1 67 67 LYS HE2 H 1 2.89 0.02 . 2 . . . . 127 LYS HE2 . 16498 1 837 . 1 1 67 67 LYS HE3 H 1 3.01 0.02 . 2 . . . . 127 LYS HE3 . 16498 1 838 . 1 1 67 67 LYS HG2 H 1 1.36 0.02 . 2 . . . . 127 LYS HG2 . 16498 1 839 . 1 1 67 67 LYS HG3 H 1 1.63 0.02 . 2 . . . . 127 LYS HG3 . 16498 1 840 . 1 1 67 67 LYS C C 13 178.3 0.2 . 1 . . . . 127 LYS C . 16498 1 841 . 1 1 67 67 LYS CA C 13 60.1 0.2 . 1 . . . . 127 LYS CA . 16498 1 842 . 1 1 67 67 LYS CB C 13 32.4 0.2 . 1 . . . . 127 LYS CB . 16498 1 843 . 1 1 67 67 LYS CD C 13 29.5 0.2 . 1 . . . . 127 LYS CD . 16498 1 844 . 1 1 67 67 LYS CE C 13 42.1 0.2 . 1 . . . . 127 LYS CE . 16498 1 845 . 1 1 67 67 LYS CG C 13 26.4 0.2 . 1 . . . . 127 LYS CG . 16498 1 846 . 1 1 67 67 LYS N N 15 117.0 0.2 . 1 . . . . 127 LYS N . 16498 1 847 . 1 1 68 68 ALA H H 1 7.48 0.02 . 1 . . . . 128 ALA H . 16498 1 848 . 1 1 68 68 ALA HA H 1 4.21 0.02 . 1 . . . . 128 ALA HA . 16498 1 849 . 1 1 68 68 ALA HB1 H 1 1.41 0.02 . 1 . . . . 128 ALA HB . 16498 1 850 . 1 1 68 68 ALA HB2 H 1 1.41 0.02 . 1 . . . . 128 ALA HB . 16498 1 851 . 1 1 68 68 ALA HB3 H 1 1.41 0.02 . 1 . . . . 128 ALA HB . 16498 1 852 . 1 1 68 68 ALA C C 13 181.2 0.2 . 1 . . . . 128 ALA C . 16498 1 853 . 1 1 68 68 ALA CA C 13 55.2 0.2 . 1 . . . . 128 ALA CA . 16498 1 854 . 1 1 68 68 ALA CB C 13 18.6 0.2 . 1 . . . . 128 ALA CB . 16498 1 855 . 1 1 68 68 ALA N N 15 122.9 0.2 . 1 . . . . 128 ALA N . 16498 1 856 . 1 1 69 69 ILE H H 1 8.25 0.02 . 1 . . . . 129 ILE H . 16498 1 857 . 1 1 69 69 ILE HA H 1 3.13 0.02 . 1 . . . . 129 ILE HA . 16498 1 858 . 1 1 69 69 ILE HB H 1 1.70 0.02 . 1 . . . . 129 ILE HB . 16498 1 859 . 1 1 69 69 ILE HD11 H 1 0.30 0.02 . 1 . . . . 129 ILE HD1 . 16498 1 860 . 1 1 69 69 ILE HD12 H 1 0.30 0.02 . 1 . . . . 129 ILE HD1 . 16498 1 861 . 1 1 69 69 ILE HD13 H 1 0.30 0.02 . 1 . . . . 129 ILE HD1 . 16498 1 862 . 1 1 69 69 ILE HG12 H 1 0.36 0.02 . 2 . . . . 129 ILE HG12 . 16498 1 863 . 1 1 69 69 ILE HG13 H 1 1.40 0.02 . 2 . . . . 129 ILE HG13 . 16498 1 864 . 1 1 69 69 ILE HG21 H 1 0.74 0.02 . 1 . . . . 129 ILE HG2 . 16498 1 865 . 1 1 69 69 ILE HG22 H 1 0.74 0.02 . 1 . . . . 129 ILE HG2 . 16498 1 866 . 1 1 69 69 ILE HG23 H 1 0.74 0.02 . 1 . . . . 129 ILE HG2 . 16498 1 867 . 1 1 69 69 ILE C C 13 177.4 0.2 . 1 . . . . 129 ILE C . 16498 1 868 . 1 1 69 69 ILE CA C 13 66.7 0.2 . 1 . . . . 129 ILE CA . 16498 1 869 . 1 1 69 69 ILE CB C 13 37.9 0.2 . 1 . . . . 129 ILE CB . 16498 1 870 . 1 1 69 69 ILE CD1 C 13 13.9 0.2 . 1 . . . . 129 ILE CD1 . 16498 1 871 . 1 1 69 69 ILE CG1 C 13 30.1 0.2 . 1 . . . . 129 ILE CG1 . 16498 1 872 . 1 1 69 69 ILE CG2 C 13 17.5 0.2 . 1 . . . . 129 ILE CG2 . 16498 1 873 . 1 1 69 69 ILE N N 15 122.8 0.2 . 1 . . . . 129 ILE N . 16498 1 874 . 1 1 70 70 ARG H H 1 8.04 0.02 . 1 . . . . 130 ARG H . 16498 1 875 . 1 1 70 70 ARG HA H 1 3.62 0.02 . 1 . . . . 130 ARG HA . 16498 1 876 . 1 1 70 70 ARG HB2 H 1 1.59 0.02 . 2 . . . . 130 ARG HB2 . 16498 1 877 . 1 1 70 70 ARG HB3 H 1 2.08 0.02 . 2 . . . . 130 ARG HB3 . 16498 1 878 . 1 1 70 70 ARG HD2 H 1 2.88 0.02 . 2 . . . . 130 ARG HD2 . 16498 1 879 . 1 1 70 70 ARG HD3 H 1 3.33 0.02 . 2 . . . . 130 ARG HD3 . 16498 1 880 . 1 1 70 70 ARG HG2 H 1 1.53 0.02 . 2 . . . . 130 ARG HG2 . 16498 1 881 . 1 1 70 70 ARG HG3 H 1 1.63 0.02 . 2 . . . . 130 ARG HG3 . 16498 1 882 . 1 1 70 70 ARG C C 13 177.8 0.2 . 1 . . . . 130 ARG C . 16498 1 883 . 1 1 70 70 ARG CA C 13 60.7 0.2 . 1 . . . . 130 ARG CA . 16498 1 884 . 1 1 70 70 ARG CB C 13 29.6 0.2 . 1 . . . . 130 ARG CB . 16498 1 885 . 1 1 70 70 ARG CD C 13 42.8 0.2 . 1 . . . . 130 ARG CD . 16498 1 886 . 1 1 70 70 ARG CG C 13 26.7 0.2 . 1 . . . . 130 ARG CG . 16498 1 887 . 1 1 70 70 ARG N N 15 119.7 0.2 . 1 . . . . 130 ARG N . 16498 1 888 . 1 1 71 71 ASN H H 1 8.92 0.02 . 1 . . . . 131 ASN H . 16498 1 889 . 1 1 71 71 ASN HA H 1 4.43 0.02 . 1 . . . . 131 ASN HA . 16498 1 890 . 1 1 71 71 ASN HB2 H 1 2.90 0.02 . 2 . . . . 131 ASN HB2 . 16498 1 891 . 1 1 71 71 ASN HB3 H 1 3.00 0.02 . 2 . . . . 131 ASN HB3 . 16498 1 892 . 1 1 71 71 ASN HD21 H 1 7.83 0.02 . 1 . . . . 131 ASN HD21 . 16498 1 893 . 1 1 71 71 ASN HD22 H 1 7.18 0.02 . 1 . . . . 131 ASN HD22 . 16498 1 894 . 1 1 71 71 ASN C C 13 177.5 0.2 . 1 . . . . 131 ASN C . 16498 1 895 . 1 1 71 71 ASN CA C 13 56.1 0.2 . 1 . . . . 131 ASN CA . 16498 1 896 . 1 1 71 71 ASN CB C 13 38.6 0.2 . 1 . . . . 131 ASN CB . 16498 1 897 . 1 1 71 71 ASN CG C 13 176.2 0.2 . 1 . . . . 131 ASN CG . 16498 1 898 . 1 1 71 71 ASN N N 15 117.2 0.2 . 1 . . . . 131 ASN N . 16498 1 899 . 1 1 71 71 ASN ND2 N 15 113.1 0.2 . 1 . . . . 131 ASN ND2 . 16498 1 900 . 1 1 72 72 THR H H 1 8.30 0.02 . 1 . . . . 132 THR H . 16498 1 901 . 1 1 72 72 THR HA H 1 4.43 0.02 . 1 . . . . 132 THR HA . 16498 1 902 . 1 1 72 72 THR HB H 1 3.71 0.02 . 1 . . . . 132 THR HB . 16498 1 903 . 1 1 72 72 THR HG21 H 1 1.29 0.02 . 1 . . . . 132 THR HG2 . 16498 1 904 . 1 1 72 72 THR HG22 H 1 1.29 0.02 . 1 . . . . 132 THR HG2 . 16498 1 905 . 1 1 72 72 THR HG23 H 1 1.29 0.02 . 1 . . . . 132 THR HG2 . 16498 1 906 . 1 1 72 72 THR C C 13 175.1 0.2 . 1 . . . . 132 THR C . 16498 1 907 . 1 1 72 72 THR CA C 13 68.2 0.2 . 1 . . . . 132 THR CA . 16498 1 908 . 1 1 72 72 THR CB C 13 68.5 0.2 . 1 . . . . 132 THR CB . 16498 1 909 . 1 1 72 72 THR CG2 C 13 22.5 0.2 . 1 . . . . 132 THR CG2 . 16498 1 910 . 1 1 72 72 THR N N 15 119.2 0.2 . 1 . . . . 132 THR N . 16498 1 911 . 1 1 73 73 ALA H H 1 7.95 0.02 . 1 . . . . 133 ALA H . 16498 1 912 . 1 1 73 73 ALA HA H 1 4.04 0.02 . 1 . . . . 133 ALA HA . 16498 1 913 . 1 1 73 73 ALA HB1 H 1 1.59 0.02 . 1 . . . . 133 ALA HB . 16498 1 914 . 1 1 73 73 ALA HB2 H 1 1.59 0.02 . 1 . . . . 133 ALA HB . 16498 1 915 . 1 1 73 73 ALA HB3 H 1 1.59 0.02 . 1 . . . . 133 ALA HB . 16498 1 916 . 1 1 73 73 ALA C C 13 178.2 0.2 . 1 . . . . 133 ALA C . 16498 1 917 . 1 1 73 73 ALA CA C 13 55.9 0.2 . 1 . . . . 133 ALA CA . 16498 1 918 . 1 1 73 73 ALA CB C 13 16.7 0.2 . 1 . . . . 133 ALA CB . 16498 1 919 . 1 1 73 73 ALA N N 15 120.9 0.2 . 1 . . . . 133 ALA N . 16498 1 920 . 1 1 74 74 SER H H 1 8.44 0.02 . 1 . . . . 134 SER H . 16498 1 921 . 1 1 74 74 SER HA H 1 4.43 0.02 . 1 . . . . 134 SER HA . 16498 1 922 . 1 1 74 74 SER HB2 H 1 3.88 0.02 . 2 . . . . 134 SER HB2 . 16498 1 923 . 1 1 74 74 SER HB3 H 1 4.17 0.02 . 2 . . . . 134 SER HB3 . 16498 1 924 . 1 1 74 74 SER C C 13 178.8 0.2 . 1 . . . . 134 SER C . 16498 1 925 . 1 1 74 74 SER CA C 13 61.3 0.2 . 1 . . . . 134 SER CA . 16498 1 926 . 1 1 74 74 SER CB C 13 62.6 0.2 . 1 . . . . 134 SER CB . 16498 1 927 . 1 1 74 74 SER N N 15 110.1 0.2 . 1 . . . . 134 SER N . 16498 1 928 . 1 1 75 75 GLN H H 1 8.34 0.02 . 1 . . . . 135 GLN H . 16498 1 929 . 1 1 75 75 GLN HA H 1 3.88 0.02 . 1 . . . . 135 GLN HA . 16498 1 930 . 1 1 75 75 GLN HB2 H 1 1.90 0.02 . 2 . . . . 135 GLN HB2 . 16498 1 931 . 1 1 75 75 GLN HB3 H 1 2.13 0.02 . 2 . . . . 135 GLN HB3 . 16498 1 932 . 1 1 75 75 GLN HE21 H 1 7.27 0.02 . 1 . . . . 135 GLN HE21 . 16498 1 933 . 1 1 75 75 GLN HE22 H 1 6.99 0.02 . 1 . . . . 135 GLN HE22 . 16498 1 934 . 1 1 75 75 GLN HG2 H 1 2.40 0.02 . 2 . . . . 135 GLN HG2 . 16498 1 935 . 1 1 75 75 GLN HG3 H 1 2.73 0.02 . 2 . . . . 135 GLN HG3 . 16498 1 936 . 1 1 75 75 GLN C C 13 178.8 0.2 . 1 . . . . 135 GLN C . 16498 1 937 . 1 1 75 75 GLN CA C 13 59.6 0.2 . 1 . . . . 135 GLN CA . 16498 1 938 . 1 1 75 75 GLN CB C 13 29.9 0.2 . 1 . . . . 135 GLN CB . 16498 1 939 . 1 1 75 75 GLN CD C 13 180.2 0.2 . 1 . . . . 135 GLN CD . 16498 1 940 . 1 1 75 75 GLN CG C 13 35.2 0.2 . 1 . . . . 135 GLN CG . 16498 1 941 . 1 1 75 75 GLN N N 15 118.1 0.2 . 1 . . . . 135 GLN N . 16498 1 942 . 1 1 75 75 GLN NE2 N 15 111.2 0.2 . 1 . . . . 135 GLN NE2 . 16498 1 943 . 1 1 76 76 ILE H H 1 7.67 0.02 . 1 . . . . 136 ILE H . 16498 1 944 . 1 1 76 76 ILE HA H 1 3.20 0.02 . 1 . . . . 136 ILE HA . 16498 1 945 . 1 1 76 76 ILE HB H 1 1.56 0.02 . 1 . . . . 136 ILE HB . 16498 1 946 . 1 1 76 76 ILE HD11 H 1 0.59 0.02 . 1 . . . . 136 ILE HD1 . 16498 1 947 . 1 1 76 76 ILE HD12 H 1 0.59 0.02 . 1 . . . . 136 ILE HD1 . 16498 1 948 . 1 1 76 76 ILE HD13 H 1 0.59 0.02 . 1 . . . . 136 ILE HD1 . 16498 1 949 . 1 1 76 76 ILE HG12 H 1 0.21 0.02 . 2 . . . . 136 ILE HG12 . 16498 1 950 . 1 1 76 76 ILE HG13 H 1 0.90 0.02 . 2 . . . . 136 ILE HG13 . 16498 1 951 . 1 1 76 76 ILE HG21 H 1 0.05 0.02 . 1 . . . . 136 ILE HG2 . 16498 1 952 . 1 1 76 76 ILE HG22 H 1 0.05 0.02 . 1 . . . . 136 ILE HG2 . 16498 1 953 . 1 1 76 76 ILE HG23 H 1 0.05 0.02 . 1 . . . . 136 ILE HG2 . 16498 1 954 . 1 1 76 76 ILE C C 13 177.5 0.2 . 1 . . . . 136 ILE C . 16498 1 955 . 1 1 76 76 ILE CA C 13 66.1 0.2 . 1 . . . . 136 ILE CA . 16498 1 956 . 1 1 76 76 ILE CB C 13 37.4 0.2 . 1 . . . . 136 ILE CB . 16498 1 957 . 1 1 76 76 ILE CD1 C 13 15.9 0.2 . 1 . . . . 136 ILE CD1 . 16498 1 958 . 1 1 76 76 ILE CG1 C 13 29.6 0.2 . 1 . . . . 136 ILE CG1 . 16498 1 959 . 1 1 76 76 ILE CG2 C 13 17.0 0.2 . 1 . . . . 136 ILE CG2 . 16498 1 960 . 1 1 76 76 ILE N N 15 122.5 0.2 . 1 . . . . 136 ILE N . 16498 1 961 . 1 1 77 77 PHE H H 1 7.93 0.02 . 1 . . . . 137 PHE H . 16498 1 962 . 1 1 77 77 PHE HA H 1 3.89 0.02 . 1 . . . . 137 PHE HA . 16498 1 963 . 1 1 77 77 PHE HB2 H 1 2.73 0.02 . 2 . . . . 137 PHE HB2 . 16498 1 964 . 1 1 77 77 PHE HB3 H 1 3.15 0.02 . 2 . . . . 137 PHE HB3 . 16498 1 965 . 1 1 77 77 PHE HD1 H 1 7.47 0.02 . 3 . . . . 137 PHE HD1 . 16498 1 966 . 1 1 77 77 PHE HD2 H 1 7.47 0.02 . 3 . . . . 137 PHE HD2 . 16498 1 967 . 1 1 77 77 PHE HE1 H 1 7.26 0.02 . 3 . . . . 137 PHE HE1 . 16498 1 968 . 1 1 77 77 PHE HE2 H 1 7.26 0.02 . 3 . . . . 137 PHE HE2 . 16498 1 969 . 1 1 77 77 PHE C C 13 178.2 0.2 . 1 . . . . 137 PHE C . 16498 1 970 . 1 1 77 77 PHE CA C 13 63.6 0.2 . 1 . . . . 137 PHE CA . 16498 1 971 . 1 1 77 77 PHE CB C 13 39.3 0.2 . 1 . . . . 137 PHE CB . 16498 1 972 . 1 1 77 77 PHE CD1 C 13 132.4 0.2 . 3 . . . . 137 PHE CD1 . 16498 1 973 . 1 1 77 77 PHE CD2 C 13 132.4 0.2 . 3 . . . . 137 PHE CD2 . 16498 1 974 . 1 1 77 77 PHE CE1 C 13 130.9 0.2 . 3 . . . . 137 PHE CE1 . 16498 1 975 . 1 1 77 77 PHE CE2 C 13 130.9 0.2 . 3 . . . . 137 PHE CE2 . 16498 1 976 . 1 1 77 77 PHE N N 15 116.1 0.2 . 1 . . . . 137 PHE N . 16498 1 977 . 1 1 78 78 ARG H H 1 8.90 0.02 . 1 . . . . 138 ARG H . 16498 1 978 . 1 1 78 78 ARG HA H 1 3.91 0.02 . 1 . . . . 138 ARG HA . 16498 1 979 . 1 1 78 78 ARG HB2 H 1 1.93 0.02 . 2 . . . . 138 ARG HB2 . 16498 1 980 . 1 1 78 78 ARG HB3 H 1 1.93 0.02 . 2 . . . . 138 ARG HB3 . 16498 1 981 . 1 1 78 78 ARG HD2 H 1 3.18 0.02 . 2 . . . . 138 ARG HD2 . 16498 1 982 . 1 1 78 78 ARG HD3 H 1 3.18 0.02 . 2 . . . . 138 ARG HD3 . 16498 1 983 . 1 1 78 78 ARG HE H 1 7.28 0.02 . 1 . . . . 138 ARG HE . 16498 1 984 . 1 1 78 78 ARG HG2 H 1 1.65 0.02 . 2 . . . . 138 ARG HG2 . 16498 1 985 . 1 1 78 78 ARG HG3 H 1 1.78 0.02 . 2 . . . . 138 ARG HG3 . 16498 1 986 . 1 1 78 78 ARG C C 13 178.3 0.2 . 1 . . . . 138 ARG C . 16498 1 987 . 1 1 78 78 ARG CA C 13 60.1 0.2 . 1 . . . . 138 ARG CA . 16498 1 988 . 1 1 78 78 ARG CB C 13 29.6 0.2 . 1 . . . . 138 ARG CB . 16498 1 989 . 1 1 78 78 ARG CD C 13 43.4 0.2 . 1 . . . . 138 ARG CD . 16498 1 990 . 1 1 78 78 ARG CG C 13 27.8 0.2 . 1 . . . . 138 ARG CG . 16498 1 991 . 1 1 78 78 ARG N N 15 118.6 0.2 . 1 . . . . 138 ARG N . 16498 1 992 . 1 1 78 78 ARG NE N 15 84.2 0.2 . 1 . . . . 138 ARG NE . 16498 1 993 . 1 1 79 79 LEU H H 1 7.73 0.02 . 1 . . . . 139 LEU H . 16498 1 994 . 1 1 79 79 LEU HA H 1 4.28 0.02 . 1 . . . . 139 LEU HA . 16498 1 995 . 1 1 79 79 LEU HB2 H 1 2.34 0.02 . 2 . . . . 139 LEU HB2 . 16498 1 996 . 1 1 79 79 LEU HB3 H 1 1.80 0.02 . 2 . . . . 139 LEU HB3 . 16498 1 997 . 1 1 79 79 LEU HD11 H 1 1.14 0.02 . 2 . . . . 139 LEU HD1 . 16498 1 998 . 1 1 79 79 LEU HD12 H 1 1.14 0.02 . 2 . . . . 139 LEU HD1 . 16498 1 999 . 1 1 79 79 LEU HD13 H 1 1.14 0.02 . 2 . . . . 139 LEU HD1 . 16498 1 1000 . 1 1 79 79 LEU HD21 H 1 1.21 0.02 . 2 . . . . 139 LEU HD2 . 16498 1 1001 . 1 1 79 79 LEU HD22 H 1 1.21 0.02 . 2 . . . . 139 LEU HD2 . 16498 1 1002 . 1 1 79 79 LEU HD23 H 1 1.21 0.02 . 2 . . . . 139 LEU HD2 . 16498 1 1003 . 1 1 79 79 LEU HG H 1 1.90 0.02 . 1 . . . . 139 LEU HG . 16498 1 1004 . 1 1 79 79 LEU C C 13 179.0 0.2 . 1 . . . . 139 LEU C . 16498 1 1005 . 1 1 79 79 LEU CA C 13 57.8 0.2 . 1 . . . . 139 LEU CA . 16498 1 1006 . 1 1 79 79 LEU CB C 13 41.9 0.2 . 1 . . . . 139 LEU CB . 16498 1 1007 . 1 1 79 79 LEU CD1 C 13 23.4 0.2 . 2 . . . . 139 LEU CD1 . 16498 1 1008 . 1 1 79 79 LEU CD2 C 13 25.9 0.2 . 2 . . . . 139 LEU CD2 . 16498 1 1009 . 1 1 79 79 LEU CG C 13 27.3 0.2 . 1 . . . . 139 LEU CG . 16498 1 1010 . 1 1 79 79 LEU N N 15 121.9 0.2 . 1 . . . . 139 LEU N . 16498 1 1011 . 1 1 80 80 ALA H H 1 7.59 0.02 . 1 . . . . 140 ALA H . 16498 1 1012 . 1 1 80 80 ALA HA H 1 2.71 0.02 . 1 . . . . 140 ALA HA . 16498 1 1013 . 1 1 80 80 ALA HB1 H 1 0.46 0.02 . 1 . . . . 140 ALA HB . 16498 1 1014 . 1 1 80 80 ALA HB2 H 1 0.46 0.02 . 1 . . . . 140 ALA HB . 16498 1 1015 . 1 1 80 80 ALA HB3 H 1 0.46 0.02 . 1 . . . . 140 ALA HB . 16498 1 1016 . 1 1 80 80 ALA C C 13 179.9 0.2 . 1 . . . . 140 ALA C . 16498 1 1017 . 1 1 80 80 ALA CA C 13 55.1 0.2 . 1 . . . . 140 ALA CA . 16498 1 1018 . 1 1 80 80 ALA CB C 13 17.6 0.2 . 1 . . . . 140 ALA CB . 16498 1 1019 . 1 1 80 80 ALA N N 15 123.4 0.2 . 1 . . . . 140 ALA N . 16498 1 1020 . 1 1 81 81 ILE H H 1 8.91 0.02 . 1 . . . . 141 ILE H . 16498 1 1021 . 1 1 81 81 ILE HA H 1 4.11 0.02 . 1 . . . . 141 ILE HA . 16498 1 1022 . 1 1 81 81 ILE HB H 1 1.86 0.02 . 1 . . . . 141 ILE HB . 16498 1 1023 . 1 1 81 81 ILE HD11 H 1 0.60 0.02 . 1 . . . . 141 ILE HD1 . 16498 1 1024 . 1 1 81 81 ILE HD12 H 1 0.60 0.02 . 1 . . . . 141 ILE HD1 . 16498 1 1025 . 1 1 81 81 ILE HD13 H 1 0.60 0.02 . 1 . . . . 141 ILE HD1 . 16498 1 1026 . 1 1 81 81 ILE HG12 H 1 0.60 0.02 . 2 . . . . 141 ILE HG12 . 16498 1 1027 . 1 1 81 81 ILE HG13 H 1 1.70 0.02 . 2 . . . . 141 ILE HG13 . 16498 1 1028 . 1 1 81 81 ILE HG21 H 1 0.92 0.02 . 1 . . . . 141 ILE HG2 . 16498 1 1029 . 1 1 81 81 ILE HG22 H 1 0.92 0.02 . 1 . . . . 141 ILE HG2 . 16498 1 1030 . 1 1 81 81 ILE HG23 H 1 0.92 0.02 . 1 . . . . 141 ILE HG2 . 16498 1 1031 . 1 1 81 81 ILE C C 13 181.7 0.2 . 1 . . . . 141 ILE C . 16498 1 1032 . 1 1 81 81 ILE CA C 13 64.8 0.2 . 1 . . . . 141 ILE CA . 16498 1 1033 . 1 1 81 81 ILE CB C 13 38.6 0.2 . 1 . . . . 141 ILE CB . 16498 1 1034 . 1 1 81 81 ILE CD1 C 13 13.9 0.2 . 1 . . . . 141 ILE CD1 . 16498 1 1035 . 1 1 81 81 ILE CG1 C 13 30.1 0.2 . 1 . . . . 141 ILE CG1 . 16498 1 1036 . 1 1 81 81 ILE CG2 C 13 17.0 0.2 . 1 . . . . 141 ILE CG2 . 16498 1 1037 . 1 1 81 81 ILE N N 15 122.4 0.2 . 1 . . . . 141 ILE N . 16498 1 1038 . 1 1 82 82 GLU H H 1 8.56 0.02 . 1 . . . . 142 GLU H . 16498 1 1039 . 1 1 82 82 GLU HA H 1 4.10 0.02 . 1 . . . . 142 GLU HA . 16498 1 1040 . 1 1 82 82 GLU HB2 H 1 2.18 0.02 . 2 . . . . 142 GLU HB2 . 16498 1 1041 . 1 1 82 82 GLU HB3 H 1 2.30 0.02 . 2 . . . . 142 GLU HB3 . 16498 1 1042 . 1 1 82 82 GLU HG2 H 1 2.37 0.02 . 2 . . . . 142 GLU HG2 . 16498 1 1043 . 1 1 82 82 GLU HG3 H 1 2.47 0.02 . 2 . . . . 142 GLU HG3 . 16498 1 1044 . 1 1 82 82 GLU C C 13 177.7 0.2 . 1 . . . . 142 GLU C . 16498 1 1045 . 1 1 82 82 GLU CA C 13 59.1 0.2 . 1 . . . . 142 GLU CA . 16498 1 1046 . 1 1 82 82 GLU CB C 13 29.2 0.2 . 1 . . . . 142 GLU CB . 16498 1 1047 . 1 1 82 82 GLU CG C 13 36.4 0.2 . 1 . . . . 142 GLU CG . 16498 1 1048 . 1 1 82 82 GLU N N 15 123.2 0.2 . 1 . . . . 142 GLU N . 16498 1 1049 . 1 1 83 83 ASN H H 1 7.31 0.02 . 1 . . . . 143 ASN H . 16498 1 1050 . 1 1 83 83 ASN HA H 1 4.75 0.02 . 1 . . . . 143 ASN HA . 16498 1 1051 . 1 1 83 83 ASN HB2 H 1 3.20 0.02 . 2 . . . . 143 ASN HB2 . 16498 1 1052 . 1 1 83 83 ASN HB3 H 1 2.66 0.02 . 2 . . . . 143 ASN HB3 . 16498 1 1053 . 1 1 83 83 ASN HD21 H 1 7.67 0.02 . 1 . . . . 143 ASN HD21 . 16498 1 1054 . 1 1 83 83 ASN HD22 H 1 7.85 0.02 . 1 . . . . 143 ASN HD22 . 16498 1 1055 . 1 1 83 83 ASN C C 13 173.2 0.2 . 1 . . . . 143 ASN C . 16498 1 1056 . 1 1 83 83 ASN CA C 13 54.2 0.2 . 1 . . . . 143 ASN CA . 16498 1 1057 . 1 1 83 83 ASN CB C 13 41.3 0.2 . 1 . . . . 143 ASN CB . 16498 1 1058 . 1 1 83 83 ASN CG C 13 178.5 0.2 . 1 . . . . 143 ASN CG . 16498 1 1059 . 1 1 83 83 ASN N N 15 114.9 0.2 . 1 . . . . 143 ASN N . 16498 1 1060 . 1 1 83 83 ASN ND2 N 15 115.3 0.2 . 1 . . . . 143 ASN ND2 . 16498 1 1061 . 1 1 84 84 ARG H H 1 8.32 0.02 . 1 . . . . 144 ARG H . 16498 1 1062 . 1 1 84 84 ARG HA H 1 4.12 0.02 . 1 . . . . 144 ARG HA . 16498 1 1063 . 1 1 84 84 ARG HB2 H 1 2.12 0.02 . 2 . . . . 144 ARG HB2 . 16498 1 1064 . 1 1 84 84 ARG HB3 H 1 2.12 0.02 . 2 . . . . 144 ARG HB3 . 16498 1 1065 . 1 1 84 84 ARG HD2 H 1 3.27 0.02 . 2 . . . . 144 ARG HD2 . 16498 1 1066 . 1 1 84 84 ARG HD3 H 1 3.27 0.02 . 2 . . . . 144 ARG HD3 . 16498 1 1067 . 1 1 84 84 ARG HG2 H 1 1.59 0.02 . 2 . . . . 144 ARG HG2 . 16498 1 1068 . 1 1 84 84 ARG HG3 H 1 1.64 0.02 . 2 . . . . 144 ARG HG3 . 16498 1 1069 . 1 1 84 84 ARG C C 13 175.3 0.2 . 1 . . . . 144 ARG C . 16498 1 1070 . 1 1 84 84 ARG CA C 13 57.1 0.2 . 1 . . . . 144 ARG CA . 16498 1 1071 . 1 1 84 84 ARG CB C 13 26.0 0.2 . 1 . . . . 144 ARG CB . 16498 1 1072 . 1 1 84 84 ARG CD C 13 43.1 0.2 . 1 . . . . 144 ARG CD . 16498 1 1073 . 1 1 84 84 ARG CG C 13 27.4 0.2 . 1 . . . . 144 ARG CG . 16498 1 1074 . 1 1 84 84 ARG N N 15 114.4 0.2 . 1 . . . . 144 ARG N . 16498 1 1075 . 1 1 85 85 ALA H H 1 8.35 0.02 . 1 . . . . 145 ALA H . 16498 1 1076 . 1 1 85 85 ALA HA H 1 4.32 0.02 . 1 . . . . 145 ALA HA . 16498 1 1077 . 1 1 85 85 ALA HB1 H 1 1.14 0.02 . 1 . . . . 145 ALA HB . 16498 1 1078 . 1 1 85 85 ALA HB2 H 1 1.14 0.02 . 1 . . . . 145 ALA HB . 16498 1 1079 . 1 1 85 85 ALA HB3 H 1 1.14 0.02 . 1 . . . . 145 ALA HB . 16498 1 1080 . 1 1 85 85 ALA C C 13 176.5 0.2 . 1 . . . . 145 ALA C . 16498 1 1081 . 1 1 85 85 ALA CA C 13 53.4 0.2 . 1 . . . . 145 ALA CA . 16498 1 1082 . 1 1 85 85 ALA CB C 13 19.9 0.2 . 1 . . . . 145 ALA CB . 16498 1 1083 . 1 1 85 85 ALA N N 15 120.6 0.2 . 1 . . . . 145 ALA N . 16498 1 1084 . 1 1 86 86 ILE H H 1 7.29 0.02 . 1 . . . . 146 ILE H . 16498 1 1085 . 1 1 86 86 ILE HA H 1 4.40 0.02 . 1 . . . . 146 ILE HA . 16498 1 1086 . 1 1 86 86 ILE HB H 1 1.95 0.02 . 1 . . . . 146 ILE HB . 16498 1 1087 . 1 1 86 86 ILE HD11 H 1 1.06 0.02 . 1 . . . . 146 ILE HD1 . 16498 1 1088 . 1 1 86 86 ILE HD12 H 1 1.06 0.02 . 1 . . . . 146 ILE HD1 . 16498 1 1089 . 1 1 86 86 ILE HD13 H 1 1.06 0.02 . 1 . . . . 146 ILE HD1 . 16498 1 1090 . 1 1 86 86 ILE HG12 H 1 1.21 0.02 . 2 . . . . 146 ILE HG12 . 16498 1 1091 . 1 1 86 86 ILE HG13 H 1 1.56 0.02 . 2 . . . . 146 ILE HG13 . 16498 1 1092 . 1 1 86 86 ILE HG21 H 1 0.85 0.02 . 1 . . . . 146 ILE HG2 . 16498 1 1093 . 1 1 86 86 ILE HG22 H 1 0.85 0.02 . 1 . . . . 146 ILE HG2 . 16498 1 1094 . 1 1 86 86 ILE HG23 H 1 0.85 0.02 . 1 . . . . 146 ILE HG2 . 16498 1 1095 . 1 1 86 86 ILE C C 13 173.6 0.2 . 1 . . . . 146 ILE C . 16498 1 1096 . 1 1 86 86 ILE CA C 13 59.2 0.2 . 1 . . . . 146 ILE CA . 16498 1 1097 . 1 1 86 86 ILE CB C 13 41.6 0.2 . 1 . . . . 146 ILE CB . 16498 1 1098 . 1 1 86 86 ILE CD1 C 13 14.9 0.2 . 1 . . . . 146 ILE CD1 . 16498 1 1099 . 1 1 86 86 ILE CG1 C 13 28.5 0.2 . 1 . . . . 146 ILE CG1 . 16498 1 1100 . 1 1 86 86 ILE CG2 C 13 18.5 0.2 . 1 . . . . 146 ILE CG2 . 16498 1 1101 . 1 1 86 86 ILE N N 15 111.5 0.2 . 1 . . . . 146 ILE N . 16498 1 1102 . 1 1 87 87 ASP H H 1 8.27 0.02 . 1 . . . . 147 ASP H . 16498 1 1103 . 1 1 87 87 ASP HA H 1 4.94 0.02 . 1 . . . . 147 ASP HA . 16498 1 1104 . 1 1 87 87 ASP HB2 H 1 2.60 0.02 . 2 . . . . 147 ASP HB2 . 16498 1 1105 . 1 1 87 87 ASP HB3 H 1 2.73 0.02 . 2 . . . . 147 ASP HB3 . 16498 1 1106 . 1 1 87 87 ASP C C 13 174.7 0.2 . 1 . . . . 147 ASP C . 16498 1 1107 . 1 1 87 87 ASP CA C 13 53.7 0.2 . 1 . . . . 147 ASP CA . 16498 1 1108 . 1 1 87 87 ASP CB C 13 41.8 0.2 . 1 . . . . 147 ASP CB . 16498 1 1109 . 1 1 87 87 ASP N N 15 119.4 0.2 . 1 . . . . 147 ASP N . 16498 1 1110 . 1 1 88 88 PHE H H 1 7.23 0.02 . 1 . . . . 148 PHE H . 16498 1 1111 . 1 1 88 88 PHE HA H 1 4.69 0.02 . 1 . . . . 148 PHE HA . 16498 1 1112 . 1 1 88 88 PHE HB2 H 1 2.84 0.02 . 2 . . . . 148 PHE HB2 . 16498 1 1113 . 1 1 88 88 PHE HB3 H 1 3.09 0.02 . 2 . . . . 148 PHE HB3 . 16498 1 1114 . 1 1 88 88 PHE HD1 H 1 7.20 0.02 . 3 . . . . 148 PHE HD1 . 16498 1 1115 . 1 1 88 88 PHE HD2 H 1 7.20 0.02 . 3 . . . . 148 PHE HD2 . 16498 1 1116 . 1 1 88 88 PHE HE1 H 1 6.66 0.02 . 3 . . . . 148 PHE HE1 . 16498 1 1117 . 1 1 88 88 PHE HE2 H 1 6.66 0.02 . 3 . . . . 148 PHE HE2 . 16498 1 1118 . 1 1 88 88 PHE HZ H 1 6.95 0.02 . 1 . . . . 148 PHE HZ . 16498 1 1119 . 1 1 88 88 PHE C C 13 171.5 0.2 . 1 . . . . 148 PHE C . 16498 1 1120 . 1 1 88 88 PHE CA C 13 56.4 0.2 . 1 . . . . 148 PHE CA . 16498 1 1121 . 1 1 88 88 PHE CB C 13 42.0 0.2 . 1 . . . . 148 PHE CB . 16498 1 1122 . 1 1 88 88 PHE CD1 C 13 132.0 0.2 . 3 . . . . 148 PHE CD1 . 16498 1 1123 . 1 1 88 88 PHE CD2 C 13 132.0 0.2 . 3 . . . . 148 PHE CD2 . 16498 1 1124 . 1 1 88 88 PHE CE1 C 13 132.3 0.2 . 3 . . . . 148 PHE CE1 . 16498 1 1125 . 1 1 88 88 PHE CE2 C 13 132.3 0.2 . 3 . . . . 148 PHE CE2 . 16498 1 1126 . 1 1 88 88 PHE CZ C 13 130.4 0.2 . 1 . . . . 148 PHE CZ . 16498 1 1127 . 1 1 88 88 PHE N N 15 119.7 0.2 . 1 . . . . 148 PHE N . 16498 1 1128 . 1 1 89 89 ASN H H 1 8.06 0.02 . 1 . . . . 149 ASN H . 16498 1 1129 . 1 1 89 89 ASN HA H 1 4.49 0.02 . 1 . . . . 149 ASN HA . 16498 1 1130 . 1 1 89 89 ASN HB2 H 1 2.10 0.02 . 2 . . . . 149 ASN HB2 . 16498 1 1131 . 1 1 89 89 ASN HB3 H 1 3.19 0.02 . 2 . . . . 149 ASN HB3 . 16498 1 1132 . 1 1 89 89 ASN HD21 H 1 7.16 0.02 . 1 . . . . 149 ASN HD21 . 16498 1 1133 . 1 1 89 89 ASN HD22 H 1 6.83 0.02 . 1 . . . . 149 ASN HD22 . 16498 1 1134 . 1 1 89 89 ASN CA C 13 48.1 0.2 . 1 . . . . 149 ASN CA . 16498 1 1135 . 1 1 89 89 ASN CB C 13 39.2 0.2 . 1 . . . . 149 ASN CB . 16498 1 1136 . 1 1 89 89 ASN CG C 13 176.0 0.2 . 1 . . . . 149 ASN CG . 16498 1 1137 . 1 1 89 89 ASN N N 15 119.7 0.2 . 1 . . . . 149 ASN N . 16498 1 1138 . 1 1 89 89 ASN ND2 N 15 109.3 0.2 . 1 . . . . 149 ASN ND2 . 16498 1 1139 . 1 1 90 90 PRO HA H 1 3.97 0.02 . 1 . . . . 150 PRO HA . 16498 1 1140 . 1 1 90 90 PRO HB2 H 1 1.18 0.02 . 2 . . . . 150 PRO HB2 . 16498 1 1141 . 1 1 90 90 PRO HB3 H 1 1.90 0.02 . 2 . . . . 150 PRO HB3 . 16498 1 1142 . 1 1 90 90 PRO HD2 H 1 1.68 0.02 . 2 . . . . 150 PRO HD2 . 16498 1 1143 . 1 1 90 90 PRO HD3 H 1 2.90 0.02 . 2 . . . . 150 PRO HD3 . 16498 1 1144 . 1 1 90 90 PRO HG2 H 1 0.90 0.02 . 2 . . . . 150 PRO HG2 . 16498 1 1145 . 1 1 90 90 PRO HG3 H 1 1.56 0.02 . 2 . . . . 150 PRO HG3 . 16498 1 1146 . 1 1 90 90 PRO C C 13 177.7 0.2 . 1 . . . . 150 PRO C . 16498 1 1147 . 1 1 90 90 PRO CA C 13 63.9 0.2 . 1 . . . . 150 PRO CA . 16498 1 1148 . 1 1 90 90 PRO CB C 13 31.7 0.2 . 1 . . . . 150 PRO CB . 16498 1 1149 . 1 1 90 90 PRO CD C 13 49.4 0.2 . 1 . . . . 150 PRO CD . 16498 1 1150 . 1 1 90 90 PRO CG C 13 27.2 0.2 . 1 . . . . 150 PRO CG . 16498 1 1151 . 1 1 91 91 ALA H H 1 7.24 0.02 . 1 . . . . 151 ALA H . 16498 1 1152 . 1 1 91 91 ALA HA H 1 3.90 0.02 . 1 . . . . 151 ALA HA . 16498 1 1153 . 1 1 91 91 ALA HB1 H 1 1.40 0.02 . 1 . . . . 151 ALA HB . 16498 1 1154 . 1 1 91 91 ALA HB2 H 1 1.40 0.02 . 1 . . . . 151 ALA HB . 16498 1 1155 . 1 1 91 91 ALA HB3 H 1 1.40 0.02 . 1 . . . . 151 ALA HB . 16498 1 1156 . 1 1 91 91 ALA C C 13 178.0 0.2 . 1 . . . . 151 ALA C . 16498 1 1157 . 1 1 91 91 ALA CA C 13 53.9 0.2 . 1 . . . . 151 ALA CA . 16498 1 1158 . 1 1 91 91 ALA CB C 13 17.7 0.2 . 1 . . . . 151 ALA CB . 16498 1 1159 . 1 1 91 91 ALA N N 15 115.7 0.2 . 1 . . . . 151 ALA N . 16498 1 1160 . 1 1 92 92 ASP H H 1 7.08 0.02 . 1 . . . . 152 ASP H . 16498 1 1161 . 1 1 92 92 ASP HA H 1 4.22 0.02 . 1 . . . . 152 ASP HA . 16498 1 1162 . 1 1 92 92 ASP HB2 H 1 2.26 0.02 . 2 . . . . 152 ASP HB2 . 16498 1 1163 . 1 1 92 92 ASP HB3 H 1 2.18 0.02 . 2 . . . . 152 ASP HB3 . 16498 1 1164 . 1 1 92 92 ASP C C 13 176.2 0.2 . 1 . . . . 152 ASP C . 16498 1 1165 . 1 1 92 92 ASP CA C 13 55.8 0.2 . 1 . . . . 152 ASP CA . 16498 1 1166 . 1 1 92 92 ASP CB C 13 39.5 0.2 . 1 . . . . 152 ASP CB . 16498 1 1167 . 1 1 92 92 ASP N N 15 117.1 0.2 . 1 . . . . 152 ASP N . 16498 1 1168 . 1 1 93 93 TYR H H 1 7.06 0.02 . 1 . . . . 153 TYR H . 16498 1 1169 . 1 1 93 93 TYR HA H 1 4.49 0.02 . 1 . . . . 153 TYR HA . 16498 1 1170 . 1 1 93 93 TYR HB2 H 1 2.56 0.02 . 2 . . . . 153 TYR HB2 . 16498 1 1171 . 1 1 93 93 TYR HB3 H 1 3.44 0.02 . 2 . . . . 153 TYR HB3 . 16498 1 1172 . 1 1 93 93 TYR HD1 H 1 7.06 0.02 . 3 . . . . 153 TYR HD1 . 16498 1 1173 . 1 1 93 93 TYR HD2 H 1 7.06 0.02 . 3 . . . . 153 TYR HD2 . 16498 1 1174 . 1 1 93 93 TYR HE1 H 1 6.79 0.02 . 3 . . . . 153 TYR HE1 . 16498 1 1175 . 1 1 93 93 TYR HE2 H 1 6.79 0.02 . 3 . . . . 153 TYR HE2 . 16498 1 1176 . 1 1 93 93 TYR C C 13 174.7 0.2 . 1 . . . . 153 TYR C . 16498 1 1177 . 1 1 93 93 TYR CA C 13 57.6 0.2 . 1 . . . . 153 TYR CA . 16498 1 1178 . 1 1 93 93 TYR CB C 13 38.5 0.2 . 1 . . . . 153 TYR CB . 16498 1 1179 . 1 1 93 93 TYR CD1 C 13 133.1 0.2 . 3 . . . . 153 TYR CD1 . 16498 1 1180 . 1 1 93 93 TYR CD2 C 13 133.1 0.2 . 3 . . . . 153 TYR CD2 . 16498 1 1181 . 1 1 93 93 TYR CE1 C 13 118.8 0.2 . 3 . . . . 153 TYR CE1 . 16498 1 1182 . 1 1 93 93 TYR CE2 C 13 118.8 0.2 . 3 . . . . 153 TYR CE2 . 16498 1 1183 . 1 1 93 93 TYR N N 15 116.8 0.2 . 1 . . . . 153 TYR N . 16498 1 1184 . 1 1 94 94 VAL H H 1 7.00 0.02 . 1 . . . . 154 VAL H . 16498 1 1185 . 1 1 94 94 VAL HA H 1 4.04 0.02 . 1 . . . . 154 VAL HA . 16498 1 1186 . 1 1 94 94 VAL HB H 1 1.95 0.02 . 1 . . . . 154 VAL HB . 16498 1 1187 . 1 1 94 94 VAL HG11 H 1 0.75 0.02 . 2 . . . . 154 VAL HG1 . 16498 1 1188 . 1 1 94 94 VAL HG12 H 1 0.75 0.02 . 2 . . . . 154 VAL HG1 . 16498 1 1189 . 1 1 94 94 VAL HG13 H 1 0.75 0.02 . 2 . . . . 154 VAL HG1 . 16498 1 1190 . 1 1 94 94 VAL HG21 H 1 0.98 0.02 . 2 . . . . 154 VAL HG2 . 16498 1 1191 . 1 1 94 94 VAL HG22 H 1 0.98 0.02 . 2 . . . . 154 VAL HG2 . 16498 1 1192 . 1 1 94 94 VAL HG23 H 1 0.98 0.02 . 2 . . . . 154 VAL HG2 . 16498 1 1193 . 1 1 94 94 VAL C C 13 174.7 0.2 . 1 . . . . 154 VAL C . 16498 1 1194 . 1 1 94 94 VAL CA C 13 62.1 0.2 . 1 . . . . 154 VAL CA . 16498 1 1195 . 1 1 94 94 VAL CB C 13 32.7 0.2 . 1 . . . . 154 VAL CB . 16498 1 1196 . 1 1 94 94 VAL CG1 C 13 21.7 0.2 . 2 . . . . 154 VAL CG1 . 16498 1 1197 . 1 1 94 94 VAL CG2 C 13 23.2 0.2 . 2 . . . . 154 VAL CG2 . 16498 1 1198 . 1 1 94 94 VAL N N 15 120.6 0.2 . 1 . . . . 154 VAL N . 16498 1 1199 . 1 1 95 95 ARG H H 1 9.43 0.02 . 1 . . . . 155 ARG H . 16498 1 1200 . 1 1 95 95 ARG HA H 1 4.64 0.02 . 1 . . . . 155 ARG HA . 16498 1 1201 . 1 1 95 95 ARG HB2 H 1 1.68 0.02 . 2 . . . . 155 ARG HB2 . 16498 1 1202 . 1 1 95 95 ARG HB3 H 1 1.77 0.02 . 2 . . . . 155 ARG HB3 . 16498 1 1203 . 1 1 95 95 ARG HD2 H 1 3.18 0.02 . 2 . . . . 155 ARG HD2 . 16498 1 1204 . 1 1 95 95 ARG HD3 H 1 3.18 0.02 . 2 . . . . 155 ARG HD3 . 16498 1 1205 . 1 1 95 95 ARG HG2 H 1 1.57 0.02 . 2 . . . . 155 ARG HG2 . 16498 1 1206 . 1 1 95 95 ARG HG3 H 1 1.57 0.02 . 2 . . . . 155 ARG HG3 . 16498 1 1207 . 1 1 95 95 ARG C C 13 175.4 0.2 . 1 . . . . 155 ARG C . 16498 1 1208 . 1 1 95 95 ARG CA C 13 54.2 0.2 . 1 . . . . 155 ARG CA . 16498 1 1209 . 1 1 95 95 ARG CB C 13 32.4 0.2 . 1 . . . . 155 ARG CB . 16498 1 1210 . 1 1 95 95 ARG CD C 13 43.1 0.2 . 1 . . . . 155 ARG CD . 16498 1 1211 . 1 1 95 95 ARG CG C 13 26.8 0.2 . 1 . . . . 155 ARG CG . 16498 1 1212 . 1 1 95 95 ARG N N 15 128.2 0.2 . 1 . . . . 155 ARG N . 16498 1 1213 . 1 1 96 96 ILE H H 1 8.70 0.02 . 1 . . . . 156 ILE H . 16498 1 1214 . 1 1 96 96 ILE HA H 1 4.44 0.02 . 1 . . . . 156 ILE HA . 16498 1 1215 . 1 1 96 96 ILE HB H 1 2.06 0.02 . 1 . . . . 156 ILE HB . 16498 1 1216 . 1 1 96 96 ILE HD11 H 1 0.62 0.02 . 1 . . . . 156 ILE HD1 . 16498 1 1217 . 1 1 96 96 ILE HD12 H 1 0.62 0.02 . 1 . . . . 156 ILE HD1 . 16498 1 1218 . 1 1 96 96 ILE HD13 H 1 0.62 0.02 . 1 . . . . 156 ILE HD1 . 16498 1 1219 . 1 1 96 96 ILE HG12 H 1 1.34 0.02 . 2 . . . . 156 ILE HG12 . 16498 1 1220 . 1 1 96 96 ILE HG13 H 1 1.53 0.02 . 2 . . . . 156 ILE HG13 . 16498 1 1221 . 1 1 96 96 ILE HG21 H 1 0.96 0.02 . 1 . . . . 156 ILE HG2 . 16498 1 1222 . 1 1 96 96 ILE HG22 H 1 0.96 0.02 . 1 . . . . 156 ILE HG2 . 16498 1 1223 . 1 1 96 96 ILE HG23 H 1 0.96 0.02 . 1 . . . . 156 ILE HG2 . 16498 1 1224 . 1 1 96 96 ILE CA C 13 56.5 0.2 . 1 . . . . 156 ILE CA . 16498 1 1225 . 1 1 96 96 ILE CB C 13 36.7 0.2 . 1 . . . . 156 ILE CB . 16498 1 1226 . 1 1 96 96 ILE CD1 C 13 10.3 0.2 . 1 . . . . 156 ILE CD1 . 16498 1 1227 . 1 1 96 96 ILE CG1 C 13 27.0 0.2 . 1 . . . . 156 ILE CG1 . 16498 1 1228 . 1 1 96 96 ILE CG2 C 13 17.3 0.2 . 1 . . . . 156 ILE CG2 . 16498 1 1229 . 1 1 96 96 ILE N N 15 124.1 0.2 . 1 . . . . 156 ILE N . 16498 1 1230 . 1 1 97 97 PRO HA H 1 4.37 0.02 . 1 . . . . 157 PRO HA . 16498 1 1231 . 1 1 97 97 PRO HB2 H 1 1.89 0.02 . 2 . . . . 157 PRO HB2 . 16498 1 1232 . 1 1 97 97 PRO HB3 H 1 2.33 0.02 . 2 . . . . 157 PRO HB3 . 16498 1 1233 . 1 1 97 97 PRO HD2 H 1 3.52 0.02 . 2 . . . . 157 PRO HD2 . 16498 1 1234 . 1 1 97 97 PRO HD3 H 1 3.84 0.02 . 2 . . . . 157 PRO HD3 . 16498 1 1235 . 1 1 97 97 PRO HG2 H 1 2.02 0.02 . 2 . . . . 157 PRO HG2 . 16498 1 1236 . 1 1 97 97 PRO HG3 H 1 2.02 0.02 . 2 . . . . 157 PRO HG3 . 16498 1 1237 . 1 1 97 97 PRO C C 13 176.0 0.2 . 1 . . . . 157 PRO C . 16498 1 1238 . 1 1 97 97 PRO CA C 13 63.2 0.2 . 1 . . . . 157 PRO CA . 16498 1 1239 . 1 1 97 97 PRO CB C 13 32.4 0.2 . 1 . . . . 157 PRO CB . 16498 1 1240 . 1 1 97 97 PRO CD C 13 51.4 0.2 . 1 . . . . 157 PRO CD . 16498 1 1241 . 1 1 97 97 PRO CG C 13 27.3 0.2 . 1 . . . . 157 PRO CG . 16498 1 1242 . 1 1 98 98 LYS H H 1 8.38 0.02 . 1 . . . . 158 LYS H . 16498 1 1243 . 1 1 98 98 LYS HA H 1 4.19 0.02 . 1 . . . . 158 LYS HA . 16498 1 1244 . 1 1 98 98 LYS HB2 H 1 1.82 0.02 . 2 . . . . 158 LYS HB2 . 16498 1 1245 . 1 1 98 98 LYS HB3 H 1 1.82 0.02 . 2 . . . . 158 LYS HB3 . 16498 1 1246 . 1 1 98 98 LYS HD2 H 1 1.71 0.02 . 2 . . . . 158 LYS HD2 . 16498 1 1247 . 1 1 98 98 LYS HD3 H 1 1.71 0.02 . 2 . . . . 158 LYS HD3 . 16498 1 1248 . 1 1 98 98 LYS HE2 H 1 3.02 0.02 . 2 . . . . 158 LYS HE2 . 16498 1 1249 . 1 1 98 98 LYS HE3 H 1 3.02 0.02 . 2 . . . . 158 LYS HE3 . 16498 1 1250 . 1 1 98 98 LYS HG2 H 1 1.42 0.02 . 2 . . . . 158 LYS HG2 . 16498 1 1251 . 1 1 98 98 LYS HG3 H 1 1.51 0.02 . 2 . . . . 158 LYS HG3 . 16498 1 1252 . 1 1 98 98 LYS C C 13 176.8 0.2 . 1 . . . . 158 LYS C . 16498 1 1253 . 1 1 98 98 LYS CA C 13 57.1 0.2 . 1 . . . . 158 LYS CA . 16498 1 1254 . 1 1 98 98 LYS CB C 13 32.8 0.2 . 1 . . . . 158 LYS CB . 16498 1 1255 . 1 1 98 98 LYS CD C 13 29.4 0.2 . 1 . . . . 158 LYS CD . 16498 1 1256 . 1 1 98 98 LYS CE C 13 42.2 0.2 . 1 . . . . 158 LYS CE . 16498 1 1257 . 1 1 98 98 LYS CG C 13 25.0 0.2 . 1 . . . . 158 LYS CG . 16498 1 1258 . 1 1 98 98 LYS N N 15 120.8 0.2 . 1 . . . . 158 LYS N . 16498 1 1259 . 1 1 99 99 ILE H H 1 7.93 0.02 . 1 . . . . 159 ILE H . 16498 1 1260 . 1 1 99 99 ILE HA H 1 4.20 0.02 . 1 . . . . 159 ILE HA . 16498 1 1261 . 1 1 99 99 ILE HB H 1 1.86 0.02 . 1 . . . . 159 ILE HB . 16498 1 1262 . 1 1 99 99 ILE HD11 H 1 0.86 0.02 . 1 . . . . 159 ILE HD1 . 16498 1 1263 . 1 1 99 99 ILE HD12 H 1 0.86 0.02 . 1 . . . . 159 ILE HD1 . 16498 1 1264 . 1 1 99 99 ILE HD13 H 1 0.86 0.02 . 1 . . . . 159 ILE HD1 . 16498 1 1265 . 1 1 99 99 ILE HG12 H 1 1.44 0.02 . 2 . . . . 159 ILE HG12 . 16498 1 1266 . 1 1 99 99 ILE HG13 H 1 1.19 0.02 . 2 . . . . 159 ILE HG13 . 16498 1 1267 . 1 1 99 99 ILE HG21 H 1 0.91 0.02 . 1 . . . . 159 ILE HG2 . 16498 1 1268 . 1 1 99 99 ILE HG22 H 1 0.91 0.02 . 1 . . . . 159 ILE HG2 . 16498 1 1269 . 1 1 99 99 ILE HG23 H 1 0.91 0.02 . 1 . . . . 159 ILE HG2 . 16498 1 1270 . 1 1 99 99 ILE C C 13 175.4 0.2 . 1 . . . . 159 ILE C . 16498 1 1271 . 1 1 99 99 ILE CA C 13 60.6 0.2 . 1 . . . . 159 ILE CA . 16498 1 1272 . 1 1 99 99 ILE CB C 13 39.1 0.2 . 1 . . . . 159 ILE CB . 16498 1 1273 . 1 1 99 99 ILE CD1 C 13 13.0 0.2 . 1 . . . . 159 ILE CD1 . 16498 1 1274 . 1 1 99 99 ILE CG1 C 13 27.2 0.2 . 1 . . . . 159 ILE CG1 . 16498 1 1275 . 1 1 99 99 ILE CG2 C 13 17.5 0.2 . 1 . . . . 159 ILE CG2 . 16498 1 1276 . 1 1 99 99 ILE N N 15 120.2 0.2 . 1 . . . . 159 ILE N . 16498 1 1277 . 1 1 100 100 ALA H H 1 8.37 0.02 . 1 . . . . 160 ALA H . 16498 1 1278 . 1 1 100 100 ALA HA H 1 4.37 0.02 . 1 . . . . 160 ALA HA . 16498 1 1279 . 1 1 100 100 ALA HB1 H 1 1.38 0.02 . 1 . . . . 160 ALA HB . 16498 1 1280 . 1 1 100 100 ALA HB2 H 1 1.38 0.02 . 1 . . . . 160 ALA HB . 16498 1 1281 . 1 1 100 100 ALA HB3 H 1 1.38 0.02 . 1 . . . . 160 ALA HB . 16498 1 1282 . 1 1 100 100 ALA C C 13 177.2 0.2 . 1 . . . . 160 ALA C . 16498 1 1283 . 1 1 100 100 ALA CA C 13 52.2 0.2 . 1 . . . . 160 ALA CA . 16498 1 1284 . 1 1 100 100 ALA CB C 13 19.4 0.2 . 1 . . . . 160 ALA CB . 16498 1 1285 . 1 1 100 100 ALA N N 15 128.3 0.2 . 1 . . . . 160 ALA N . 16498 1 1286 . 1 1 101 101 LEU H H 1 8.25 0.02 . 1 . . . . 161 LEU H . 16498 1 1287 . 1 1 101 101 LEU HA H 1 4.28 0.02 . 1 . . . . 161 LEU HA . 16498 1 1288 . 1 1 101 101 LEU HB2 H 1 1.51 0.02 . 2 . . . . 161 LEU HB2 . 16498 1 1289 . 1 1 101 101 LEU HB3 H 1 1.58 0.02 . 2 . . . . 161 LEU HB3 . 16498 1 1290 . 1 1 101 101 LEU HD11 H 1 0.90 0.02 . 2 . . . . 161 LEU HD1 . 16498 1 1291 . 1 1 101 101 LEU HD12 H 1 0.90 0.02 . 2 . . . . 161 LEU HD1 . 16498 1 1292 . 1 1 101 101 LEU HD13 H 1 0.90 0.02 . 2 . . . . 161 LEU HD1 . 16498 1 1293 . 1 1 101 101 LEU HD21 H 1 0.85 0.02 . 2 . . . . 161 LEU HD2 . 16498 1 1294 . 1 1 101 101 LEU HD22 H 1 0.85 0.02 . 2 . . . . 161 LEU HD2 . 16498 1 1295 . 1 1 101 101 LEU HD23 H 1 0.85 0.02 . 2 . . . . 161 LEU HD2 . 16498 1 1296 . 1 1 101 101 LEU HG H 1 1.60 0.02 . 1 . . . . 161 LEU HG . 16498 1 1297 . 1 1 101 101 LEU C C 13 177.2 0.2 . 1 . . . . 161 LEU C . 16498 1 1298 . 1 1 101 101 LEU CA C 13 55.2 0.2 . 1 . . . . 161 LEU CA . 16498 1 1299 . 1 1 101 101 LEU CB C 13 42.4 0.2 . 1 . . . . 161 LEU CB . 16498 1 1300 . 1 1 101 101 LEU CD1 C 13 24.9 0.2 . 2 . . . . 161 LEU CD1 . 16498 1 1301 . 1 1 101 101 LEU CD2 C 13 23.6 0.2 . 2 . . . . 161 LEU CD2 . 16498 1 1302 . 1 1 101 101 LEU CG C 13 27.0 0.2 . 1 . . . . 161 LEU CG . 16498 1 1303 . 1 1 101 101 LEU N N 15 121.9 0.2 . 1 . . . . 161 LEU N . 16498 1 1304 . 1 1 102 102 GLU H H 1 8.39 0.02 . 1 . . . . 162 GLU H . 16498 1 1305 . 1 1 102 102 GLU HA H 1 4.23 0.02 . 1 . . . . 162 GLU HA . 16498 1 1306 . 1 1 102 102 GLU HB2 H 1 1.87 0.02 . 2 . . . . 162 GLU HB2 . 16498 1 1307 . 1 1 102 102 GLU HB3 H 1 1.93 0.02 . 2 . . . . 162 GLU HB3 . 16498 1 1308 . 1 1 102 102 GLU HG2 H 1 2.15 0.02 . 2 . . . . 162 GLU HG2 . 16498 1 1309 . 1 1 102 102 GLU HG3 H 1 2.21 0.02 . 2 . . . . 162 GLU HG3 . 16498 1 1310 . 1 1 102 102 GLU C C 13 176.1 0.2 . 1 . . . . 162 GLU C . 16498 1 1311 . 1 1 102 102 GLU CA C 13 56.4 0.2 . 1 . . . . 162 GLU CA . 16498 1 1312 . 1 1 102 102 GLU CB C 13 30.5 0.2 . 1 . . . . 162 GLU CB . 16498 1 1313 . 1 1 102 102 GLU CG C 13 36.2 0.2 . 1 . . . . 162 GLU CG . 16498 1 1314 . 1 1 102 102 GLU N N 15 121.3 0.2 . 1 . . . . 162 GLU N . 16498 1 1315 . 1 1 103 103 HIS H H 1 8.33 0.02 . 1 . . . . 163 HIS H . 16498 1 1316 . 1 1 103 103 HIS HA H 1 4.59 0.02 . 1 . . . . 163 HIS HA . 16498 1 1317 . 1 1 103 103 HIS HB2 H 1 3.05 0.02 . 2 . . . . 163 HIS HB2 . 16498 1 1318 . 1 1 103 103 HIS HB3 H 1 3.05 0.02 . 2 . . . . 163 HIS HB3 . 16498 1 1319 . 1 1 103 103 HIS C C 13 176.1 0.2 . 1 . . . . 163 HIS C . 16498 1 1320 . 1 1 103 103 HIS CA C 13 56.0 0.2 . 1 . . . . 163 HIS CA . 16498 1 1321 . 1 1 103 103 HIS CB C 13 30.5 0.2 . 1 . . . . 163 HIS CB . 16498 1 1322 . 1 1 103 103 HIS N N 15 120.0 0.2 . 1 . . . . 163 HIS N . 16498 1 1323 . 1 1 107 107 HIS HA H 1 4.62 0.02 . 1 . . . . 167 HIS HA . 16498 1 1324 . 1 1 107 107 HIS HB2 H 1 3.13 0.02 . 2 . . . . 167 HIS HB2 . 16498 1 1325 . 1 1 107 107 HIS HB3 H 1 3.13 0.02 . 2 . . . . 167 HIS HB3 . 16498 1 1326 . 1 1 107 107 HIS C C 13 173.9 0.2 . 1 . . . . 167 HIS C . 16498 1 1327 . 1 1 107 107 HIS CA C 13 56.0 0.2 . 1 . . . . 167 HIS CA . 16498 1 1328 . 1 1 107 107 HIS CB C 13 30.3 0.2 . 1 . . . . 167 HIS CB . 16498 1 1329 . 1 1 108 108 HIS H H 1 8.14 0.02 . 1 . . . . 168 HIS H . 16498 1 1330 . 1 1 108 108 HIS HB2 H 1 3.11 0.02 . 2 . . . . 168 HIS HB2 . 16498 1 1331 . 1 1 108 108 HIS HB3 H 1 3.11 0.02 . 2 . . . . 168 HIS HB3 . 16498 1 1332 . 1 1 108 108 HIS CA C 13 57.3 0.2 . 1 . . . . 168 HIS CA . 16498 1 1333 . 1 1 108 108 HIS CB C 13 30.3 0.2 . 1 . . . . 168 HIS CB . 16498 1 1334 . 1 1 108 108 HIS N N 15 125.3 0.2 . 1 . . . . 168 HIS N . 16498 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_Nnoesy_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Nnoesy_peak_list _Spectral_peak_list.Entry_ID 16498 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 106.334 3.275 8.907 2796840 106.415 2.034 8.928 1827873 106.416 8.917 8.915 9917903 106.535 4.193 8.925 2730570 106.566 4.021 8.920 1046124 107.033 0.986 7.933 8112306 107.033 2.829 7.930 12405914 107.037 3.873 7.930 49021344 107.039 4.082 7.930 44876524 107.040 1.181 7.929 7426426 107.041 7.143 7.930 42979872 107.041 4.224 7.925 9709012 107.043 2.160 7.939 3054021 107.047 4.605 7.930 17233968 107.048 2.315 7.929 4116930 107.060 1.532 7.929 6314914 107.685 2.207 8.324 4318994 107.710 0.486 8.323 4993740 107.717 8.865 8.324 10880447 107.719 1.649 8.326 8063334 107.744 4.326 8.323 12868561 107.747 3.969 8.325 20226728 107.755 4.144 8.327 14558174 107.775 1.831 8.330 10196614 107.794 8.338 8.334 102294888 107.796 1.084 8.333 5881262 107.799 7.798 8.330 15731608 108.243 3.177 7.286 8507999 108.767 2.986 7.652 7388066 108.817 4.438 6.826 4790742 108.837 2.988 6.847 7163432 108.840 7.651 6.845 36961920 108.842 6.837 7.654 35571408 108.847 2.372 6.849 5537236 109.314 4.440 6.826 4915288 109.330 4.438 7.170 3125449 109.347 3.173 7.164 6480324 109.348 6.826 7.161 13945790 109.389 2.158 6.835 2918344 109.393 3.179 6.841 3582983 109.394 7.172 6.825 15334141 110.068 4.180 8.445 18593344 110.072 7.951 8.444 17312678 110.077 8.453 8.445 115384400 110.080 3.892 8.445 21371454 110.080 4.439 8.444 24776192 110.081 1.598 8.445 25953678 110.090 1.409 8.445 17580984 111.206 7.273 6.992 162707248 111.212 6.988 7.270 203549856 111.222 2.735 7.271 15266755 111.224 2.739 6.991 7983414 111.260 8.650 8.453 4557733 111.312 0.991 6.972 6586212 111.394 3.746 8.450 2864956 111.404 8.027 8.444 4668630 111.407 1.780 8.443 6395408 111.438 3.178 8.448 3014395 111.462 1.943 7.293 10064595 111.467 4.122 7.293 28254452 111.470 8.347 7.292 62768048 111.470 4.383 7.292 25878946 111.471 1.147 7.292 34341656 111.472 0.877 7.293 29125432 111.535 0.473 7.297 9457095 111.535 1.587 7.298 8688438 111.583 2.856 7.515 3479048 111.637 7.505 6.705 42073736 111.638 2.869 6.708 3168886 111.645 6.708 7.509 30668172 111.699 2.775 7.607 6827690 111.745 0.986 6.973 8493780 111.757 2.412 8.630 5982694 111.759 2.608 8.628 3483754 111.761 2.970 7.609 9752386 111.764 2.794 6.970 4925010 111.765 2.101 8.634 7653644 111.768 0.989 7.607 11676726 111.772 1.599 8.627 3336167 111.777 2.788 8.633 4502606 111.787 4.211 7.602 3732254 111.790 2.969 6.976 6355095 111.795 7.869 8.635 8509379 111.802 7.616 6.975 57632412 111.814 6.974 7.612 69027256 111.823 4.259 8.641 1089733 112.170 0.987 8.155 7225824 112.186 7.783 8.157 6392770 112.188 4.183 8.154 28279036 112.188 4.448 8.151 8180467 112.190 3.736 8.152 10237257 112.190 4.007 8.153 49276836 112.190 7.020 8.151 4530702 112.194 2.217 8.154 24184546 112.194 6.759 8.155 15238096 112.196 9.154 8.152 15425845 112.197 2.390 8.151 7861002 112.211 0.804 8.147 4759266 112.369 2.861 7.646 8530210 112.378 4.247 8.088 11432468 112.378 4.572 8.085 4299744 112.386 8.357 8.087 19113822 112.388 1.611 8.085 16184223 112.390 1.182 7.053 2920180 112.391 7.645 6.981 56281064 112.395 1.403 8.085 18023540 112.396 1.000 8.086 15020504 112.397 0.613 8.085 8505868 112.398 2.863 6.981 9913075 112.405 2.190 7.050 9341302 112.407 0.382 8.082 9647620 112.409 6.977 7.647 63650096 112.419 2.204 6.710 17850908 112.427 3.992 6.713 4792381 112.429 7.047 6.712 194356208 112.430 1.176 6.722 3263250 112.431 6.713 7.050 144956960 112.434 3.983 7.050 3137280 112.443 2.301 6.711 11372802 112.443 2.296 7.050 7149586 113.083 3.006 7.170 6129354 113.095 7.175 7.831 73940072 113.095 4.200 7.172 3369020 113.096 3.002 7.829 6888521 113.096 7.834 7.169 81694680 113.101 4.226 7.835 3116454 113.197 2.932 7.267 3941646 113.255 2.961 7.530 10054400 113.256 7.535 7.269 42010868 113.274 7.270 7.531 48525968 113.456 1.306 8.639 4683368 113.493 8.860 8.636 9305251 113.503 4.425 8.640 6740713 113.524 2.753 8.641 13807146 113.524 3.303 8.639 5362202 113.527 3.183 8.640 11877359 113.537 3.546 8.639 10034739 113.539 8.644 8.642 53951128 113.572 4.999 8.018 5617818 113.599 8.456 8.019 5961384 113.611 2.854 8.018 9326620 113.611 8.915 8.306 6176696 113.623 2.071 8.303 31159758 113.627 0.987 8.303 27451674 113.628 8.303 8.303 200789104 113.629 3.883 8.303 57698520 113.630 8.697 8.303 19618816 113.630 1.138 8.303 15669497 113.632 7.818 8.302 20733468 113.632 4.223 8.302 25299118 113.634 7.198 8.015 7540761 113.636 4.349 8.303 15540392 113.641 3.717 8.303 8237100 113.989 0.846 8.160 5487935 114.003 1.135 8.164 6823918 114.019 4.749 8.163 5229576 114.041 2.016 8.170 11288656 114.044 7.170 8.165 11115254 114.044 3.674 8.176 3496088 114.049 4.428 8.168 5679938 114.067 2.690 8.169 6940664 114.077 2.974 8.171 3883465 114.354 2.666 8.315 4217018 114.359 8.556 8.321 7397366 114.362 2.128 8.316 12870275 114.365 0.927 8.320 3492889 114.367 1.626 8.316 15764451 114.367 3.272 8.316 10003591 114.374 4.110 8.316 52683380 114.382 7.298 8.317 27099828 114.383 4.740 8.316 9830830 114.386 1.142 8.319 6168270 114.555 1.471 7.142 6037824 114.591 2.834 7.145 11350533 114.593 4.071 7.144 27020568 114.594 8.567 7.142 9499971 114.595 4.252 7.143 35814064 114.595 2.309 7.144 34757000 114.598 0.992 7.143 80188856 114.598 7.933 7.143 51559584 114.599 1.180 7.144 71932344 114.601 3.873 7.144 20419346 114.602 2.182 7.142 7852288 114.917 2.677 7.307 30425084 114.923 8.560 7.306 24609274 114.923 4.744 7.306 20601950 114.925 7.050 7.302 5656136 114.928 2.178 7.306 13658049 114.930 2.318 7.306 15483208 114.930 1.149 7.304 7079164 114.932 3.204 7.305 19638028 114.934 4.108 7.306 17238556 114.935 7.850 7.306 17391206 114.937 8.318 7.305 34435748 114.940 7.673 7.306 10944519 114.980 8.772 9.022 2653279 114.993 1.594 9.023 9562358 115.005 4.257 9.022 4345490 115.007 7.618 9.019 7185812 115.009 4.441 9.022 10345534 115.010 9.021 9.023 14323804 115.012 2.862 9.023 16614509 115.035 1.859 9.020 7322204 115.037 3.810 9.016 2857984 115.122 2.322 7.843 2734787 115.138 7.291 7.858 4436780 115.147 2.312 7.686 4900821 115.149 1.149 7.853 6364863 115.168 2.669 7.852 4714946 115.207 3.207 7.671 4231637 115.209 2.674 7.670 5992554 115.221 7.296 7.675 5950586 115.236 1.154 7.674 14914751 115.252 7.854 7.673 48145652 115.259 7.677 7.853 21246800 115.263 1.891 7.674 4001122 115.298 3.191 7.862 3102373 115.404 2.595 8.055 7362296 115.415 8.057 8.055 53977988 115.417 1.895 8.055 7193874 115.418 2.535 8.051 7446796 115.418 7.739 8.052 9105421 115.426 2.147 8.050 7382692 115.428 9.035 8.058 6854920 115.430 1.092 8.054 14701879 115.432 4.038 8.055 7833517 115.569 4.949 7.199 10351502 115.597 2.967 7.203 14621048 115.601 3.688 7.201 14939253 115.601 8.154 7.200 13635395 115.602 4.449 7.201 12187548 115.613 7.994 7.200 15037892 115.663 2.850 7.202 16093168 115.722 0.728 7.238 11803772 115.726 1.563 7.244 11932385 115.729 2.245 7.245 5521228 115.730 7.236 7.237 226206192 115.731 4.478 7.232 11049149 115.734 3.916 7.239 22734882 115.737 1.664 7.238 11784616 115.740 1.408 7.240 53425564 115.740 7.083 7.240 49601664 115.742 0.914 7.240 11968645 115.765 4.232 7.245 5375214 115.873 2.265 8.280 5677210 115.954 4.123 8.276 10745722 115.968 1.783 8.273 8439914 115.972 1.422 8.278 33510538 115.972 2.379 8.279 6192945 115.985 2.048 8.279 9133933 115.987 0.972 8.275 6878654 115.997 7.786 8.277 8480394 116.051 3.886 8.279 4471358 116.133 2.732 7.925 9886914 116.136 0.592 7.923 6695788 116.146 7.676 7.927 11746212 116.148 3.165 7.928 15802895 116.150 3.903 7.927 14357028 116.160 1.570 7.925 11794810 116.161 8.910 7.928 12844997 116.167 1.923 7.926 4252292 116.168 7.485 7.928 14030644 116.172 0.059 7.931 8132064 116.226 2.296 7.624 12957695 116.237 4.454 7.625 19931730 116.238 8.693 7.626 8979755 116.240 2.461 7.623 20358454 116.247 3.047 7.628 7419249 116.247 2.968 7.628 5836409 116.250 2.050 7.625 19283532 116.260 3.876 7.631 4132544 116.263 4.195 7.629 5304611 116.296 4.996 8.705 1689129 116.304 4.813 8.706 5704440 116.309 2.926 8.713 1621892 116.328 8.711 8.710 38890796 116.380 3.988 8.703 2348075 116.388 4.378 8.711 1837708 116.500 7.944 7.794 6334088 116.534 3.941 7.785 4364512 116.545 0.959 7.790 16366813 116.545 1.424 7.791 23438198 116.546 1.582 7.792 15251933 116.546 2.559 7.792 19745752 116.547 7.791 7.792 171018480 116.548 2.974 7.791 25011876 116.549 4.448 7.792 22076778 116.552 9.165 7.791 12644640 116.554 1.821 7.791 9136126 116.554 7.019 7.793 26537966 116.557 8.269 7.793 13290547 116.563 4.091 7.794 8181352 116.567 7.789 7.014 18008002 116.576 0.820 7.015 16414851 116.586 9.153 7.014 15783254 116.593 1.587 7.014 13951909 116.597 2.199 7.795 3975992 116.598 3.760 7.018 7714648 116.604 2.979 7.016 6783122 116.611 1.851 7.017 12934805 116.621 8.151 7.014 3576150 116.623 0.984 7.027 14048838 116.661 4.438 7.021 9552825 116.728 1.421 7.018 5711950 116.827 2.572 7.057 20035304 116.827 3.448 7.059 13242211 116.835 4.489 7.058 18815762 116.891 6.828 7.062 9462430 116.922 2.218 7.494 3934612 116.994 0.789 7.492 2818351 117.013 2.389 7.500 5192716 117.017 1.032 8.275 3832524 117.031 0.639 8.372 7437520 117.033 3.718 8.693 4662055 117.039 2.363 8.267 4545264 117.040 4.447 8.690 8584178 117.041 2.195 8.693 7540776 117.044 8.026 8.373 12381107 117.044 8.262 7.497 23172166 117.046 3.920 7.072 13622038 117.046 2.960 8.692 9233125 117.046 3.040 8.694 10406729 117.047 2.112 8.375 11430442 117.047 1.875 8.375 27137880 117.048 1.656 8.377 16971214 117.048 7.625 8.384 4204168 117.049 1.371 8.376 14780678 117.049 3.775 8.376 18774450 117.050 7.498 8.267 22654252 117.051 4.261 8.370 3574209 117.052 0.988 8.379 9625650 117.052 1.033 7.494 4885341 117.056 7.490 8.373 18487912 117.058 4.434 8.374 7733348 117.060 7.732 8.689 7744434 117.062 1.012 8.692 4648832 117.066 3.721 7.498 3066142 117.067 4.206 8.692 2768094 117.104 4.231 7.074 22308854 117.108 2.246 7.075 31698616 117.123 1.413 7.074 16960222 117.125 7.233 7.076 40952064 117.170 4.066 7.137 18573060 117.175 0.658 8.928 4427344 117.179 0.725 8.926 4308961 117.183 2.710 7.139 3582216 117.185 3.362 7.140 10595491 117.186 2.090 8.928 10080515 117.190 8.045 8.923 14346543 117.191 1.403 8.929 7484249 117.194 8.293 8.925 15208656 117.198 4.205 8.925 8476718 117.200 1.604 8.924 11735514 117.202 0.853 7.140 4541829 117.204 4.438 8.924 15757285 117.207 3.003 8.926 27540380 117.208 8.150 7.141 18818606 117.209 0.977 7.140 5317194 117.212 3.890 7.138 20082416 117.217 2.011 7.139 9063263 117.223 0.987 8.926 3106346 117.225 3.738 8.923 5970542 117.238 3.906 7.062 7097526 117.312 4.731 7.139 14643963 117.383 1.131 7.141 2958338 117.515 0.900 7.541 7242569 117.537 4.455 7.543 14180696 117.553 2.041 7.541 5795995 117.555 4.195 7.542 26106280 117.555 7.547 7.541 131486184 117.561 8.871 7.541 5001819 117.563 1.076 7.542 12612066 117.566 2.282 7.534 3704216 117.579 1.872 8.207 33786920 117.580 3.972 8.207 63391936 117.583 7.766 8.207 47371732 117.584 4.222 8.207 26852906 117.588 1.524 8.208 11003061 117.588 8.436 8.205 5363288 117.592 1.230 8.209 6574645 117.600 2.464 7.538 5504190 117.622 4.195 8.865 10433607 117.624 2.965 8.864 31566624 117.626 2.775 8.863 22484502 117.626 4.431 8.863 14165005 117.626 3.699 8.866 5536097 117.629 1.555 8.866 13605725 117.632 0.964 8.863 15171448 117.635 1.944 8.865 16471023 117.641 7.834 8.863 23217126 117.653 3.968 8.869 4745058 117.688 4.602 7.862 37796768 117.690 2.835 7.863 64158828 117.690 1.525 7.863 40224784 117.690 8.007 7.864 43656484 117.698 4.200 7.863 21098800 117.698 4.050 7.863 20685642 117.726 1.177 7.861 5452220 117.727 7.138 7.864 6319882 117.795 2.093 7.775 10565388 117.800 9.033 7.772 12851296 117.809 7.228 7.771 4262618 117.813 8.866 7.771 20436866 117.817 4.562 7.773 15095557 117.817 4.108 7.770 8464054 117.820 2.946 7.771 44731768 117.823 7.768 7.770 121288912 117.825 1.726 7.769 5662268 117.827 3.918 7.772 5287546 117.827 1.961 7.771 6866400 117.876 7.549 7.773 4139610 118.045 4.439 8.343 7886330 118.055 1.899 8.344 16198374 118.061 7.675 8.345 9193968 118.071 3.888 8.341 19670454 118.075 2.743 8.341 15192046 118.075 7.253 8.339 3472720 118.076 2.407 8.341 12897302 118.078 2.140 8.341 11018730 118.082 3.731 8.344 7098891 118.082 4.172 8.343 8196474 118.093 7.941 8.341 3197108 118.153 1.577 8.343 5298817 118.439 4.435 7.831 5831648 118.462 8.874 7.834 20592150 118.469 2.967 7.833 15672595 118.472 4.115 7.833 17963996 118.476 3.828 7.834 26241134 118.477 3.609 7.837 15041579 118.486 8.186 7.835 20847042 118.491 0.957 7.830 3921958 118.505 2.772 7.837 11786576 118.547 3.174 8.898 16430753 118.549 6.824 8.899 4574025 118.551 7.728 8.899 20122076 118.551 7.491 8.896 6309511 118.552 7.184 8.899 3849490 118.553 1.657 8.898 11741637 118.557 3.899 8.898 33255432 118.558 1.804 8.898 23527236 118.559 0.483 8.899 4049369 118.560 1.942 8.898 50942192 118.568 7.935 8.898 17008890 118.570 0.621 8.897 4938200 118.591 2.735 8.901 7647437 118.706 8.910 8.560 6849066 118.720 7.831 8.564 4013726 118.735 7.139 8.565 8179606 118.735 4.384 8.558 31635734 118.738 1.178 8.562 23565720 118.738 2.309 8.561 41570732 118.741 0.992 8.563 20985308 118.741 1.978 8.562 10246122 118.741 4.260 8.561 71772760 118.741 8.695 8.560 16684545 118.747 4.090 8.561 27937062 118.791 4.634 9.172 12895514 118.796 2.218 9.174 14705740 118.798 4.432 9.174 51948440 118.798 9.170 9.174 151155488 118.801 3.978 9.174 36002948 118.801 4.026 9.176 24476388 118.802 1.846 9.174 14295894 118.805 1.552 9.173 11864740 118.807 2.577 9.175 7184210 118.815 2.004 9.176 9497666 118.864 7.877 9.173 4056924 119.136 2.999 8.300 10471922 119.143 7.949 8.299 17686388 119.145 1.311 8.297 12158033 119.148 2.936 8.298 11406715 119.159 8.927 8.298 13284002 119.164 3.731 8.299 13740221 119.202 8.200 7.807 7478170 119.216 3.131 8.293 7511726 119.245 8.281 8.288 114756768 119.283 1.882 7.810 17510806 119.290 3.600 8.183 12933970 119.290 4.131 8.184 16784046 119.290 4.599 8.183 17244220 119.292 7.831 8.184 26483640 119.293 7.267 8.184 11475456 119.294 3.830 8.184 18621394 119.298 3.193 8.184 26164768 119.306 8.873 8.179 6708804 119.307 0.937 8.186 9556166 119.307 2.948 8.179 4753605 119.308 9.034 8.184 13840355 119.312 4.414 8.278 32499790 119.328 1.914 9.039 11078451 119.330 2.975 8.347 5559483 119.330 2.975 8.347 5559483 119.331 2.952 9.039 5465386 119.331 1.566 8.277 13917295 119.333 3.905 9.041 10452081 119.333 7.777 9.041 12232307 119.334 4.439 9.039 8382254 119.335 3.200 9.041 9855974 119.335 2.065 9.037 11964929 119.343 8.183 9.041 14978576 119.347 1.745 9.041 16611147 119.350 0.900 9.041 13045835 119.354 1.293 9.038 8453206 119.356 7.230 8.859 14794781 119.360 4.590 9.038 4604766 119.367 4.908 8.857 10039714 119.371 4.590 8.859 9373999 119.372 3.583 8.855 11773916 119.373 4.203 8.349 6657302 119.376 3.316 8.858 9880004 119.378 2.955 8.857 19668988 119.379 4.076 7.809 10011120 119.389 3.750 8.351 9609726 119.389 2.779 9.041 3691241 119.393 1.078 8.268 11343614 119.395 0.872 8.273 10495192 119.395 2.614 8.270 10310797 119.401 7.772 8.857 13970221 119.408 8.629 8.856 9045512 119.415 1.952 8.271 12829381 119.418 4.940 8.268 11464639 119.425 7.236 8.270 27891826 119.426 7.211 8.336 5501660 119.440 2.754 8.272 9214818 119.518 7.748 6.754 19183508 119.520 0.976 6.753 26325880 119.523 1.546 6.754 5242830 119.523 6.755 6.754 90919016 119.524 3.998 6.757 16851316 119.526 1.989 6.754 31713376 119.528 8.150 6.755 15171001 119.530 3.874 6.753 15711252 119.531 1.232 6.755 16066770 119.533 4.182 6.757 7560416 119.547 2.177 6.759 6426360 119.550 3.750 6.756 9636570 119.557 1.628 7.797 6141479 119.617 8.861 7.800 2983162 119.621 4.568 7.800 20927070 119.621 2.215 7.800 49773768 119.623 2.574 7.799 11987868 119.626 4.327 7.797 8738849 119.626 7.092 7.800 43238192 119.626 8.329 7.800 18059032 119.631 1.055 7.797 8317336 119.632 0.615 7.233 17210366 119.641 4.942 7.232 20077082 119.642 3.995 7.798 17641570 119.644 4.698 7.233 22144756 119.645 1.067 7.231 19913898 119.646 1.213 7.232 26002748 119.647 8.266 7.231 40858884 119.648 3.522 7.677 4394916 119.651 0.491 7.233 7298796 119.651 0.874 7.233 33839020 119.651 1.565 7.232 22521778 119.651 7.233 7.232 254000784 119.655 2.846 7.232 22122470 119.656 1.946 7.234 15115585 119.659 3.100 7.233 17090950 119.661 4.397 7.232 13309928 119.663 4.135 7.234 5376814 119.665 8.065 7.237 7687124 119.675 2.623 7.234 7174880 119.676 0.950 7.683 28169234 119.677 1.407 8.036 8656399 119.678 0.324 8.029 5245352 119.680 7.688 7.683 231386160 119.680 0.646 8.051 18876658 119.681 2.140 7.684 63412312 119.684 2.862 8.056 13107287 119.685 1.873 7.685 7042658 119.686 0.540 7.684 5207358 119.686 2.296 7.682 18445128 119.686 4.498 8.060 14344776 119.687 4.046 7.683 46076252 119.689 0.962 7.797 7558790 119.689 8.927 8.038 12000829 119.691 8.040 7.684 41421608 119.693 3.635 8.039 13703896 119.693 2.098 8.051 25722626 119.695 1.585 7.684 18203400 119.695 4.700 8.062 58058808 119.698 3.772 8.036 8605940 119.704 8.243 8.040 17865074 119.704 7.213 8.061 17733510 119.704 8.939 7.237 3004362 119.707 3.158 8.060 24327776 119.711 8.199 7.683 6384995 119.716 0.376 7.685 3668422 119.803 1.026 7.617 5582292 119.820 0.948 7.623 5541270 119.825 7.158 8.001 5549326 119.834 3.791 7.618 7850004 119.834 4.039 7.619 23906482 119.834 9.018 7.619 7279600 119.835 2.861 7.619 17200362 119.835 7.624 7.619 165635904 119.840 4.291 7.617 37502556 119.842 7.636 8.001 5718288 119.842 1.600 7.618 32038458 119.847 0.767 8.003 11316896 119.847 1.286 7.617 19367836 119.848 1.767 7.617 11173790 119.851 4.427 7.616 10746081 119.855 8.379 7.615 5866616 119.869 4.730 8.001 43141512 119.876 1.603 8.000 83684048 119.878 1.858 7.993 3918406 119.881 1.080 8.000 24234326 119.881 4.269 7.998 20745756 120.040 3.540 7.762 7627062 120.046 3.040 8.331 4037647 120.058 4.020 7.763 25315170 120.065 0.537 7.763 19294812 120.065 4.246 8.326 5418621 120.071 0.377 7.763 13533538 120.076 8.202 7.762 22740594 120.096 1.594 7.762 26043646 120.106 4.198 7.764 11805352 120.116 1.877 7.763 9305752 120.125 4.587 8.321 6143966 120.171 1.285 7.755 12119833 120.190 0.980 7.756 22111698 120.191 2.311 7.925 5944942 120.209 2.172 7.755 20406668 120.216 4.371 7.929 9918033 120.219 8.686 7.750 8974428 120.220 1.454 7.929 26833308 120.223 0.918 7.929 23947962 120.227 1.198 7.929 24545030 120.228 4.201 7.928 93785552 120.229 2.012 7.755 16328439 120.230 1.855 7.929 85936984 120.230 7.938 7.929 465284736 120.234 8.386 7.929 24723140 120.237 0.697 7.749 10181964 120.239 6.760 7.753 9461679 120.246 3.725 7.753 14537818 120.355 4.796 7.630 7146811 120.430 3.287 7.639 3777369 120.434 8.920 7.639 4009890 120.452 4.118 7.631 4609507 120.465 7.202 7.630 5240444 120.482 2.770 7.631 7318858 120.543 2.291 7.632 3657014 120.606 9.168 7.093 5921106 120.607 0.755 6.998 15458396 120.611 4.047 6.996 16706762 120.612 2.566 7.173 7603943 120.612 1.147 8.349 61780252 120.613 1.955 6.997 35548240 120.613 6.999 6.997 158738112 120.615 0.992 6.998 35755612 120.617 0.472 8.351 9475989 120.617 7.291 8.349 55454364 120.617 4.333 8.348 38303576 120.620 3.843 7.162 5740092 120.621 2.195 7.094 36018068 120.623 7.799 7.093 51339656 120.623 2.027 7.093 41328884 120.623 4.488 6.997 16344934 120.624 1.034 7.095 34603044 120.625 0.966 7.094 31320976 120.627 4.123 8.352 24823386 120.630 8.332 7.090 3868568 120.635 4.041 7.094 20303756 120.637 3.900 6.998 7238036 120.642 2.792 7.182 6920207 120.643 4.546 7.099 14037811 120.645 2.284 7.178 5811386 120.646 4.198 7.156 5879824 120.652 0.903 7.154 18143318 120.655 1.074 7.153 32880416 120.657 7.643 7.188 7032290 120.658 1.824 7.155 12689741 120.659 1.630 7.154 14702737 120.659 1.279 7.154 14647192 120.661 4.494 7.154 48758284 120.662 8.868 7.160 7820485 120.663 1.504 7.154 17929372 120.664 4.737 7.154 16145798 120.665 2.957 7.175 7965322 120.671 9.034 7.178 8195320 120.673 0.803 7.155 8193850 120.694 8.015 7.151 5974822 120.818 4.379 8.379 66613868 120.837 4.199 8.378 29092346 120.841 7.928 8.379 7665246 120.873 1.875 8.764 5075212 120.873 1.965 8.764 8554081 120.877 8.897 8.756 9069673 120.879 4.463 8.759 39733432 120.882 2.911 8.758 21031772 120.885 1.834 8.381 44595968 120.891 4.805 8.760 54949840 120.902 1.705 8.757 5723574 120.935 4.051 7.951 14653447 120.938 0.848 7.948 6908534 120.943 4.437 7.948 20376098 120.947 1.138 7.948 14250749 120.949 8.438 7.947 16999596 120.953 1.598 7.948 44901584 120.954 8.308 7.948 21589876 120.955 2.072 8.391 13051411 120.961 2.302 8.392 23054476 121.003 3.884 7.951 3763558 121.012 4.052 8.397 8702862 121.036 0.971 8.397 12562373 121.036 7.785 8.395 8468186 121.055 3.549 8.399 11569393 121.083 6.980 8.399 7348922 121.087 1.245 8.400 10150222 121.122 3.029 8.394 7080230 121.134 1.585 9.151 3492340 121.134 4.037 8.013 4998291 121.142 1.309 8.015 15353218 121.144 1.002 8.017 16462701 121.148 1.771 8.019 24008248 121.149 4.288 8.018 12637962 121.150 0.988 9.152 9445539 121.150 7.624 8.018 17073550 121.152 8.378 8.018 11905095 121.154 3.800 8.018 17067764 121.156 3.737 9.154 11351348 121.156 4.136 9.157 7805688 121.164 1.601 8.014 9073419 121.166 0.796 9.150 8770797 121.167 2.115 8.018 12810770 121.168 2.220 9.152 20629480 121.170 9.152 9.153 42494512 121.175 1.849 9.152 8969672 121.183 1.426 9.147 3954532 121.183 7.017 9.153 15820078 121.188 8.153 9.150 9444215 121.188 0.887 8.391 20301608 121.209 7.784 9.169 3284112 121.212 3.963 9.156 3508654 121.234 2.214 8.390 21829704 121.241 1.538 8.389 23990326 121.246 1.887 8.388 60342036 121.268 2.866 9.360 3739612 121.271 3.998 9.366 4713520 121.276 4.281 8.387 115465872 121.276 4.230 8.382 85637656 121.382 4.366 9.371 3635362 121.394 1.835 8.764 11783449 121.420 1.594 8.770 21162124 121.432 4.260 8.770 22731422 121.437 1.946 8.768 17168408 121.457 3.798 8.766 7036606 121.492 3.517 9.373 3863134 121.511 4.260 7.873 3628541 121.551 1.056 7.877 4830706 121.564 1.558 7.874 15696028 121.568 4.427 7.869 8305274 121.571 8.632 7.871 10141827 121.585 7.880 7.874 82098920 121.598 1.996 7.871 13649855 121.613 4.972 9.375 5547746 121.626 1.849 7.874 9407168 121.670 8.371 7.865 2476668 121.848 4.275 8.251 63825560 121.912 0.473 7.736 7523318 121.919 1.185 7.731 18498276 121.919 8.909 7.731 21692582 121.921 3.902 7.731 12380150 121.924 1.811 7.732 35636804 121.927 4.292 7.730 21503562 121.927 7.732 7.731 158011936 121.928 1.920 7.732 28802798 121.928 3.209 7.732 9479765 121.929 2.346 7.731 33045604 121.929 7.611 7.732 31000796 121.935 1.858 8.251 8312808 121.939 4.371 8.251 152234032 121.940 1.394 8.251 56388100 121.941 0.897 8.250 27328708 121.942 1.596 8.251 136725968 122.081 0.046 7.744 3057512 122.109 8.291 8.692 18009222 122.125 3.699 8.919 12037221 122.128 7.818 8.919 22160114 122.136 1.542 8.921 30200776 122.137 0.989 8.693 20540930 122.138 2.071 8.692 38667248 122.140 1.132 8.693 48912172 122.140 4.093 8.692 13132075 122.142 3.709 8.693 17670856 122.142 4.384 8.692 55321268 122.143 1.152 8.920 12789697 122.146 2.196 8.920 17590490 122.147 8.697 8.692 127449672 122.155 0.966 8.920 35540088 122.198 8.920 8.919 153940688 122.240 4.133 8.918 21645250 122.240 2.289 8.921 7558487 122.249 1.921 8.918 29587476 122.290 3.912 8.917 10557826 122.320 2.721 8.918 4990724 122.320 2.721 8.918 4990724 122.346 1.704 8.915 15966396 122.360 7.290 8.916 5882836 122.368 8.559 8.912 14543011 122.383 0.477 8.912 15951733 122.389 7.598 8.913 13006486 122.397 0.615 8.915 19579524 122.497 2.756 7.676 4459847 122.504 6.987 7.680 4132588 122.511 0.060 7.674 9766086 122.512 8.348 7.670 10385717 122.517 0.891 7.670 12338853 122.517 3.215 7.672 11706517 122.523 7.937 7.672 12628371 122.524 1.572 7.672 18901478 122.526 1.900 7.673 7318895 122.532 3.889 7.674 7165378 122.533 0.227 7.672 7812388 122.538 2.131 7.673 3914741 122.542 0.589 7.674 12588762 122.659 1.322 7.744 6060859 122.673 1.130 7.735 4820845 122.694 4.200 8.248 5487814 122.699 1.700 7.746 18758020 122.699 1.700 7.746 18758020 122.709 3.898 7.747 13146606 122.740 8.047 8.251 11357531 122.762 0.741 8.253 13755215 122.763 0.330 8.252 18102828 122.763 1.705 8.251 18421248 122.770 3.134 8.250 10871390 122.772 1.410 8.251 30144210 122.775 7.487 8.250 16734263 122.789 3.798 8.251 7382158 122.815 4.437 7.483 5222808 122.851 1.879 7.485 21123142 122.854 1.414 7.484 63978928 122.854 8.378 7.484 19776412 122.859 4.042 7.483 12422449 122.860 3.770 7.484 8115115 122.860 4.213 7.483 19750348 122.862 8.256 7.483 21101082 122.889 3.965 7.818 20467852 122.889 3.900 7.818 22249658 122.896 1.980 7.820 23987208 122.897 8.304 7.820 18902108 122.900 8.921 7.818 25414412 122.900 2.197 7.820 40503592 122.906 4.227 7.817 10336966 122.906 0.984 7.818 10806524 122.936 8.036 7.487 7275828 122.947 1.545 7.812 7453165 123.029 2.852 8.029 6299482 123.041 2.298 8.033 13284758 123.045 2.150 8.033 42389140 123.048 1.524 8.033 92900088 123.049 4.204 8.033 48961108 123.050 7.872 8.033 40567344 123.052 4.044 8.033 25068966 123.053 0.957 8.032 7898942 123.071 4.347 8.251 3026738 123.143 2.181 8.555 24370114 123.148 1.870 8.556 17478450 123.148 8.920 8.557 17936930 123.149 2.466 8.554 20407424 123.157 7.298 8.557 21581980 123.158 2.316 8.557 39109900 123.160 4.109 8.556 25923772 123.165 0.931 8.555 15771085 123.165 4.282 8.562 7042876 123.167 3.916 8.561 6474255 123.170 1.699 8.559 6182922 123.179 1.161 8.557 5555926 123.192 0.601 8.553 7659534 123.198 3.195 8.548 3800036 123.376 4.290 7.593 7533509 123.387 0.888 7.590 4857456 123.393 2.347 7.591 20064254 123.394 1.172 7.592 11036596 123.398 7.735 7.594 30102296 123.400 1.824 7.593 14581934 123.400 7.595 7.592 174777168 123.401 0.472 7.593 55943512 123.401 2.714 7.593 17336616 123.402 8.918 7.594 18563740 123.403 3.900 7.594 11892971 123.409 3.208 7.595 4289517 123.437 1.706 8.745 10874547 123.438 4.085 8.751 10164272 123.441 6.976 8.744 6472784 123.441 3.624 8.745 13091414 123.446 8.405 8.747 8691253 123.446 1.220 8.743 9297826 123.451 3.044 8.748 9853663 123.459 7.740 8.749 10259269 123.481 3.921 8.746 5906809 124.087 0.634 8.693 7327513 124.125 0.986 8.696 10733307 124.125 2.058 8.695 23129908 124.133 1.548 8.696 17401090 124.133 4.645 8.695 40013684 124.134 8.699 8.696 71975056 124.146 1.743 8.693 13685335 124.150 4.447 8.695 9121435 124.151 1.345 8.699 8783702 124.178 3.181 8.698 2685367 124.185 3.872 8.700 3938947 124.204 4.997 8.861 6715548 124.204 8.327 8.857 5490956 124.209 8.868 8.861 55207756 124.221 1.661 8.858 8511696 124.226 4.640 8.861 20507720 124.233 3.993 8.859 9842972 124.248 4.123 8.854 7267769 124.250 1.796 8.860 13167365 124.269 0.499 8.860 7338636 124.331 1.080 8.848 3575380 125.258 3.109 8.142 9164953 125.340 4.620 8.150 24769612 125.714 7.179 9.040 15860077 125.715 2.558 9.040 7015412 125.715 9.037 9.038 86360976 125.721 2.964 9.042 5887250 125.724 1.089 9.040 39204484 125.738 3.868 9.045 5461176 125.739 3.740 9.040 10721764 125.740 0.579 9.041 6489589 125.745 8.055 9.040 11491993 125.746 0.054 9.040 7510380 128.202 7.029 9.443 3310651 128.241 1.954 9.434 5574409 128.245 7.508 9.434 4064510 128.248 4.650 9.439 8166040 128.254 1.703 9.432 12509901 128.255 0.756 9.435 16678740 128.262 9.431 9.435 78268464 128.265 4.051 9.434 34394720 128.270 8.263 9.436 8182352 128.277 1.590 9.434 12672774 128.282 0.996 9.436 10125127 128.290 7.936 8.375 6794754 128.299 1.864 8.374 19684202 128.302 4.372 8.373 28262118 128.304 0.917 8.375 23558026 128.305 1.392 8.374 77611144 128.305 8.376 8.373 312371584 128.307 4.206 8.374 88878488 128.308 8.691 9.435 3446544 128.494 8.870 8.860 14772726 128.500 4.492 8.864 5886897 128.505 4.233 8.860 7658242 128.534 1.817 8.859 4973984 128.615 1.424 8.864 3146411 129.437 2.973 9.170 7602378 129.444 4.943 9.183 7058370 129.444 9.171 9.175 72337928 129.446 0.952 9.175 31851480 129.449 1.824 9.175 15294473 129.449 4.043 9.176 38895752 129.458 1.587 9.176 14374194 129.471 7.067 9.181 3510202 129.488 7.787 9.176 5398909 130.494 7.552 10.999 3766700 130.503 2.912 10.995 3752718 130.504 7.292 11.010 6374583 130.511 0.509 10.999 2462816 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 N 15 N 1 2067.6 . . . 16498 1 2 H 1 H 2 11051.352 . . . 16498 1 3 H 1 HN 1 15243.9 . . . 16498 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 6 $SPARKY . . 16498 1 stop_ save_ save_Cnoesy_aliph_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_aliph_peak_list _Spectral_peak_list.Entry_ID 16498 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliph' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 10.300 2.062 0.619 74733616 10.314 8.694 0.619 16241262 10.339 4.632 0.622 9872826 10.343 2.886 0.620 25543450 10.344 3.332 0.617 11894118 10.345 0.988 0.620 195872464 10.345 1.567 0.620 111281152 10.346 1.348 0.620 121790336 10.346 8.032 0.622 16436318 10.346 3.773 0.620 77479280 10.347 1.897 0.620 35721132 10.349 0.632 0.620 1854901760 10.352 4.447 0.620 64895240 10.354 3.546 0.621 21205100 10.356 4.207 0.619 9588466 10.374 8.933 0.620 4826824 10.375 8.379 0.621 15636650 10.402 7.484 0.625 6185896 10.710 7.499 0.660 5553804 10.812 8.691 0.685 7385958 10.823 4.441 0.678 13126898 10.849 1.012 0.677 188791328 10.852 1.577 0.677 107169768 10.852 1.295 0.678 84615880 10.856 8.039 0.678 28175474 10.861 3.711 0.678 102486120 10.863 0.327 0.676 35981936 10.864 2.148 0.678 48181244 10.864 8.258 0.678 15523217 10.866 7.754 0.678 22427292 10.890 8.924 0.680 4848518 10.900 1.708 0.676 58242612 12.919 4.417 0.868 11292472 13.000 1.866 0.865 92579088 13.005 3.805 0.867 10816224 13.007 1.451 0.864 163550944 13.008 4.212 0.866 42978528 13.016 1.191 0.864 178818560 13.026 8.364 0.868 8603725 13.037 7.932 0.866 12373435 13.045 8.730 0.872 9094566 13.804 7.792 0.711 6104286 13.807 7.479 0.709 13982074 13.809 2.937 0.709 11776622 13.824 7.258 0.710 78085240 13.826 1.420 0.710 78981376 13.827 7.025 0.710 38499492 13.828 4.468 0.709 10142652 13.828 1.860 0.710 70526920 13.828 1.584 0.710 154646768 13.830 2.215 0.709 13724508 13.831 3.914 0.710 75966512 13.833 0.401 0.710 49528232 13.848 7.493 0.605 10713023 13.854 9.158 0.707 10616672 13.859 2.563 0.706 7508821 13.860 8.559 0.603 8189616 13.875 6.944 0.303 6479722 13.879 4.238 0.302 11196507 13.887 6.820 0.606 7629824 13.892 1.870 0.605 64981276 13.901 4.482 0.604 15555320 13.901 1.700 0.604 79401552 13.902 0.919 0.605 167029520 13.903 4.122 0.602 28848950 13.904 7.217 0.604 30614028 13.905 3.136 0.304 18596468 13.910 3.910 0.605 48824860 13.911 8.245 0.303 28109232 13.913 8.917 0.604 33299916 13.913 7.206 0.300 16914190 13.914 4.425 0.303 7001786 13.917 4.936 0.600 14385147 13.919 8.073 0.605 11691418 13.920 2.102 0.604 36509492 13.920 3.001 0.302 19087284 13.920 1.305 0.301 80808544 13.922 0.896 0.302 68703152 13.923 0.753 0.301 153850400 13.924 8.034 0.304 14053862 13.925 3.182 0.604 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4.170 42941300 62.673 8.458 3.885 19440698 62.679 1.411 4.166 12103508 62.682 1.411 3.884 19522420 62.754 4.186 3.692 12651654 62.783 1.289 3.697 13880321 62.784 1.015 3.692 51685480 62.792 0.694 3.695 43420920 62.793 1.562 3.697 12579994 62.794 8.710 3.696 5659590 62.796 7.747 3.694 15677269 62.797 6.762 4.014 18544876 62.797 4.188 4.014 98736664 62.797 2.472 4.020 5858763 62.806 7.548 3.698 7908824 62.821 2.167 3.694 16126310 62.863 8.153 4.011 55779892 63.193 0.990 4.372 9735117 63.195 2.043 4.373 32469678 63.213 2.330 4.373 83962680 63.217 8.379 4.374 81279992 63.220 1.492 4.374 9534077 63.220 1.884 4.372 54790408 63.231 3.854 4.372 9236791 63.235 7.808 4.142 5523346 63.263 3.530 4.371 7340242 63.275 3.966 4.143 122086920 63.302 4.288 3.950 50745908 63.316 1.070 4.148 13477367 63.370 1.061 3.947 12882632 63.402 8.339 4.161 13935298 63.402 8.339 4.161 13935298 63.428 1.220 3.755 5390016 63.445 8.323 3.952 24540634 63.445 8.323 3.952 24540634 63.465 7.768 3.761 6805879 63.498 6.759 3.755 6426970 63.514 0.960 3.752 38200948 63.518 1.889 3.756 15485151 63.520 0.824 3.753 60331692 63.521 0.386 3.749 10002070 63.540 7.008 3.753 10841016 63.543 2.155 3.754 4701510 63.545 1.583 3.749 17811582 63.566 2.853 4.166 4909022 63.577 6.679 4.181 20291286 63.579 7.807 3.951 18105676 63.600 7.935 3.892 13908152 63.620 3.148 3.894 13518424 63.634 0.474 3.895 33907592 63.639 1.075 3.899 9015028 63.652 4.630 3.955 41652852 63.664 8.869 3.954 17340446 63.667 9.164 3.998 33227716 63.667 7.497 3.892 27077878 63.670 4.998 4.003 8716260 63.673 2.979 4.184 5627771 63.673 9.120 3.745 4994976 63.678 0.889 3.898 8327765 63.681 9.169 3.955 42559624 63.696 2.728 3.892 16963088 63.699 8.872 3.994 14025101 63.704 4.633 4.003 38457256 63.713 1.344 3.894 3180672 63.720 4.945 3.957 9256450 63.721 7.149 4.196 11665461 63.729 2.231 3.957 47303980 63.774 2.048 4.178 7235206 63.791 1.081 4.219 46308680 63.826 8.870 4.219 38307516 63.858 7.547 4.224 14651063 63.930 1.912 3.965 30627952 63.963 1.185 3.966 20187340 63.978 7.095 3.967 34541624 64.643 4.360 4.335 85187656 64.643 1.118 4.343 5535256 64.658 8.580 4.334 15390288 64.666 8.679 4.334 17644008 64.669 4.090 4.334 61548508 64.677 4.358 4.081 78549456 64.682 8.575 4.080 20372032 64.688 1.231 3.858 24970948 64.691 7.828 4.331 3562778 64.710 7.738 3.857 8152611 64.716 2.444 3.860 7746316 64.717 1.982 3.859 24484948 64.727 1.127 4.106 10554706 64.734 8.300 4.339 6560211 64.734 0.961 3.860 52174360 64.744 6.758 3.860 15479996 64.755 7.289 4.110 16581359 64.757 8.325 4.104 13681134 64.770 1.698 4.111 12605865 64.774 1.888 4.111 12641610 64.776 8.912 4.112 14000392 64.778 0.926 4.113 42614144 64.778 2.335 3.835 5022112 64.800 0.616 4.116 27345224 65.438 0.866 4.410 10364821 65.453 8.169 4.410 6819568 65.454 2.030 4.414 14110320 65.465 3.525 4.406 12067639 65.473 1.135 4.411 26347048 65.486 8.632 4.412 9357259 65.488 3.186 4.409 9096527 65.490 2.718 4.415 18648174 65.659 7.196 4.439 3618734 65.695 3.367 4.568 6409450 65.715 8.099 4.561 6885952 65.734 1.620 4.563 31042060 65.738 2.012 4.560 27264882 65.742 2.587 4.563 42154448 65.751 4.101 4.561 9194813 65.777 0.985 4.559 7003002 65.893 4.998 4.356 6724612 65.936 3.989 4.357 21260704 65.956 2.860 4.012 5150792 65.958 9.351 4.353 5446054 65.977 4.963 3.996 7717722 65.979 4.796 4.361 11773922 65.991 4.354 3.990 23760214 66.012 1.731 4.015 5843045 66.017 8.892 4.336 4965452 66.024 7.612 4.026 18453496 66.032 4.310 4.014 23168404 66.052 1.400 4.025 40245956 66.052 1.615 4.029 7090869 66.054 0.198 3.206 13085374 66.056 1.302 4.024 44495544 66.064 2.342 3.201 9664284 66.073 9.379 3.985 3451747 66.101 1.829 3.204 6384298 66.102 0.592 3.202 11407103 66.127 8.028 4.032 7109178 66.146 0.901 3.202 15093101 66.148 6.979 3.213 8416058 66.150 7.687 3.203 18504900 66.159 0.060 3.205 28831934 66.176 1.581 3.197 11247864 66.191 1.219 3.203 8956246 66.208 7.925 3.206 5206638 66.484 8.303 3.696 8917483 66.494 2.066 3.694 33556168 66.508 0.981 3.694 69564696 66.510 1.126 3.696 69907264 66.511 8.693 3.697 24546818 66.525 1.554 3.699 18829860 66.547 8.905 3.698 19319492 66.622 2.335 3.909 28500672 66.635 1.573 3.910 6883620 66.636 2.043 3.909 16850552 66.644 0.976 3.909 20483664 66.659 7.040 3.913 8001780 66.661 0.740 3.909 13398857 66.663 1.925 3.912 14936603 66.673 1.699 3.138 10537616 66.678 0.749 3.132 31831282 66.703 0.336 3.129 20026192 66.714 1.386 3.131 16258163 66.716 4.753 3.131 12115929 66.716 8.256 3.918 5544096 66.721 8.252 3.131 19707416 66.724 4.436 3.130 9781136 67.694 0.787 4.293 8682411 67.702 1.290 4.284 47649992 67.702 1.073 4.287 9136593 67.703 8.018 4.285 20185028 67.709 1.614 4.282 18589408 67.710 7.626 4.283 20297194 67.720 4.046 4.282 16186871 67.800 3.833 4.276 5436328 68.084 7.938 4.437 6104030 68.124 8.306 4.422 6554095 68.171 1.319 4.431 9774583 68.380 4.425 3.722 6721196 68.444 3.704 4.421 5085697 68.470 1.320 3.720 17035352 68.495 8.311 3.722 9728552 68.783 8.889 4.176 3694030 68.873 0.915 4.164 26638962 68.886 1.075 4.165 41759240 68.900 4.232 4.163 42074192 68.903 3.706 4.160 5911644 68.905 7.547 4.165 19163482 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 C 1 13459.0 . . . 16498 2 2 H 1 H 2 11904.8 . . . 16498 2 3 H 1 H 1 15243.9 . . . 16498 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 6 $SPARKY . . 16498 2 stop_ save_ save_Cnoesy_arom_600.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_arom_600.list _Spectral_peak_list.Entry_ID 16498 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 15 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY arom' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 115.055 10.998 7.544 114291 115.058 7.541 7.543 1203708 115.058 0.490 7.543 37786 115.079 1.127 7.544 182990 115.083 7.037 7.542 243635 117.563 1.303 6.676 288235 117.566 7.205 6.676 665151 117.573 1.375 6.677 283359 117.583 6.677 6.676 2890511 117.585 0.738 6.669 47999 117.587 0.308 6.679 67061 118.520 2.515 7.024 54822 118.566 1.173 7.035 173220 118.577 1.296 7.035 158569 118.584 0.965 7.034 171305 118.591 7.255 7.035 1310394 118.595 2.220 7.034 111640 118.604 6.871 7.362 91643 118.611 1.064 6.763 123170 118.668 1.694 6.779 41288 118.701 0.010 7.352 28868 118.717 2.550 6.781 60535 118.772 6.791 7.019 970378 118.795 2.224 6.785 114248 118.803 8.074 6.778 48793 118.862 0.466 7.372 44660 118.927 1.181 7.364 119069 118.927 3.831 7.362 33017 118.929 7.051 6.783 2695249 118.937 7.365 7.367 453405 118.938 1.871 7.371 52355 119.031 1.686 7.364 52412 119.099 2.588 7.351 31950 121.291 2.343 6.864 37184 121.356 0.464 6.865 31572 121.358 1.165 6.860 120290 121.361 1.877 6.856 107996 121.373 7.357 6.860 140643 121.377 7.836 6.852 42575 121.379 2.673 6.863 42319 124.044 3.188 7.036 48335 124.081 2.659 7.036 80691 124.093 7.541 7.042 190555 124.115 6.865 7.040 146688 124.139 7.817 7.043 27176 124.142 1.132 7.044 55988 124.144 7.381 7.053 52388 127.209 2.905 7.278 90134 127.234 0.457 7.276 154419 127.248 10.996 7.277 142936 127.259 1.765 7.276 36175 129.139 2.518 6.493 25178 129.230 6.813 6.480 157022 129.241 1.281 6.465 33177 130.241 1.571 6.956 69659 130.248 2.007 6.951 40589 130.294 0.036 6.953 52140 130.353 1.077 6.949 114850 130.441 0.563 6.954 74679 130.517 6.698 6.952 214869 130.836 0.707 7.259 80464 130.868 0.474 7.265 71636 130.978 1.587 7.260 78156 131.131 0.878 6.962 80669 131.208 0.860 6.812 49781 131.218 4.060 6.956 32896 131.233 6.500 6.968 55315 131.257 1.283 6.803 56557 131.269 6.481 6.807 89783 131.272 3.047 6.973 36008 131.349 3.619 6.970 29392 131.970 8.073 7.198 71040 131.972 2.836 7.196 166420 131.982 3.083 7.200 175025 131.990 4.122 7.264 83928 131.996 0.939 7.260 240694 132.036 2.167 7.263 61996 132.038 3.140 7.241 136714 132.087 8.183 7.251 87348 132.088 1.297 7.248 194048 132.196 3.584 7.207 62544 132.240 1.593 6.666 45388 132.245 0.317 7.210 96505 132.247 6.682 7.205 489100 132.250 8.856 7.209 67681 132.252 6.955 6.663 290653 132.259 4.163 6.657 37395 132.271 4.028 6.658 40884 132.306 0.464 6.660 145382 132.319 1.050 6.663 149965 132.353 2.014 6.665 41047 132.355 3.141 7.467 70084 132.359 2.836 6.655 42806 132.382 3.488 6.658 38685 132.410 7.465 7.464 847290 132.419 3.881 7.476 46948 132.426 1.033 7.465 117543 132.432 0.870 7.470 108840 132.433 7.915 7.476 63052 132.436 0.457 7.471 96440 132.440 2.727 7.472 51017 132.447 1.573 7.466 72611 132.469 1.404 7.469 71421 133.088 3.046 7.074 27137 133.101 4.446 7.056 13753 133.110 3.954 7.059 71752 133.131 2.555 7.062 89079 133.142 3.436 7.063 79792 133.143 2.246 7.063 99050 133.150 6.789 7.067 1527202 133.163 0.909 7.062 45902 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 C 1 4223.4 . . . 16498 3 2 H 1 H 2 8398.1 . . . 16498 3 3 H 1 H 1 10787.5 . . . 16498 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 6 $SPARKY . . 16498 3 stop_ save_ save_4d_d2o_noesy_600.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode 4d_d2o_noesy_600.list _Spectral_peak_list.Entry_ID 16498 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $NC_sample_in_D2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 14 _Spectral_peak_list.Experiment_name '4D HCCH NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 4 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 w4 Data Height 13.617 20.771 0.983 0.597 -136470 13.617 21.588 1.214 0.601 -187067 13.617 24.945 0.908 0.610 201252 13.617 23.570 0.502 0.605 69338 13.617 31.027 0.616 0.613 300511 13.617 19.065 1.400 4.117 184306 13.617 24.972 0.898 0.289 -695117 13.617 33.665 0.852 0.726 581509 13.617 17.505 0.903 0.296 -792898 13.617 31.897 0.709 0.725 33548 13.804 33.668 0.848 0.992 401946 13.810 15.282 4.238 4.063 -19158 13.861 23.377 0.983 0.716 100281 13.905 16.902 1.862 0.707 -51818 13.929 33.111 3.895 0.710 -59650 13.932 25.983 0.391 0.713 51993 13.938 25.442 3.082 0.291 21071 13.945 17.699 1.393 0.707 102605 13.945 16.768 1.581 0.711 80408 13.945 17.066 0.915 0.600 272442 13.956 28.798 0.764 0.713 58584 13.964 17.184 3.803 0.294 48320 13.967 13.955 0.604 0.602 1650562 13.978 30.344 1.683 0.604 38665 13.986 23.293 1.267 0.296 120527 13.989 18.496 0.875 0.599 63368 13.989 28.763 1.552 0.712 62460 13.989 23.357 4.117 0.604 49604 13.994 13.978 0.293 0.295 1417836 14.004 17.878 1.860 0.600 -57506 14.012 17.726 0.823 0.708 149138 14.033 25.207 3.891 0.710 23301 14.041 26.570 0.771 0.301 52864 14.046 17.226 1.710 0.298 -50510 14.057 18.667 3.881 0.599 64304 14.084 30.045 1.392 0.295 31652 14.117 28.842 0.223 6.675 138503 14.137 18.537 1.399 6.678 -106342 14.150 23.290 1.265 6.679 -91009 14.155 14.150 -0.316 6.677 830826 14.329 22.214 0.817 0.998 47120 14.341 22.035 3.747 0.981 47869 14.366 13.959 0.321 6.680 -23663 14.368 16.154 0.571 4.035 53713 14.373 18.242 1.983 0.989 -62874 14.381 23.360 3.858 0.996 41488 14.384 28.777 1.888 0.989 65200 14.397 22.311 0.598 0.988 93864 14.400 28.844 1.214 0.985 56965 14.418 16.808 1.583 4.035 71000 14.432 16.315 0.941 0.991 144323 14.451 25.883 0.362 0.986 62351 14.526 25.873 1.533 4.418 59857 14.599 14.575 4.572 4.039 177376 14.616 25.684 1.132 4.027 35875 14.672 30.180 2.267 4.442 65066 14.676 17.831 2.962 4.427 -63920 14.763 15.397 2.436 4.442 -92664 14.765 29.656 1.712 4.422 71630 14.781 14.777 4.443 4.446 3247143 14.805 21.364 3.007 4.444 -58197 14.844 16.334 2.830 4.418 -126962 14.888 32.426 1.871 4.417 67640 14.908 14.892 4.278 4.059 183189 14.928 17.598 0.455 1.055 93791 14.929 28.508 1.213 1.054 98718 14.938 28.515 1.544 1.055 93377 14.940 20.845 1.947 1.057 -64266 14.952 14.949 1.053 1.055 3982243 14.982 17.795 4.391 1.052 74243 14.982 31.029 0.614 4.429 -68683 15.006 29.056 0.465 1.055 -68303 15.025 26.507 1.432 4.418 26682 15.110 20.603 0.986 7.030 -42949 15.115 22.071 1.165 7.040 -83656 15.135 23.610 0.492 1.057 93815 15.146 21.397 2.528 7.034 41177 15.146 27.482 0.281 1.054 -32493 15.161 28.577 0.264 7.037 334899 15.165 21.926 1.610 1.057 -52133 15.168 15.170 0.037 7.037 1548679 15.208 29.692 0.071 6.784 731595 15.240 26.134 0.413 1.057 62214 15.502 18.452 0.930 1.063 183159 15.503 17.822 2.016 1.061 -58539 15.508 29.132 1.018 1.064 57630 15.514 28.828 -0.332 1.063 -37394 15.515 29.102 2.174 1.061 56510 15.538 33.253 1.969 1.068 31882 15.540 20.830 4.017 1.064 59499 15.541 22.290 0.597 1.062 80821 15.545 17.425 4.118 1.061 60496 15.559 29.583 1.639 1.062 57714 15.570 25.655 1.535 1.066 37524 15.583 33.261 1.828 1.065 32797 15.833 13.617 0.664 0.924 -19952 15.890 29.633 0.198 0.572 19637 15.928 29.703 0.886 0.588 32486 15.972 25.761 1.137 0.580 50500 16.002 22.423 1.298 0.586 95942 16.016 16.009 0.582 0.585 1095468 16.017 13.617 3.729 0.569 49043 16.024 17.086 0.041 0.585 169300 16.025 18.671 1.068 0.585 138360 16.035 14.511 4.014 0.583 47720 16.076 24.679 3.197 0.577 34154 16.360 23.329 3.852 0.930 113294 16.363 22.140 0.833 0.932 52957 16.366 14.389 0.998 0.930 170214 16.367 26.919 1.548 0.909 -20691 16.379 18.612 1.828 0.901 21666 16.382 17.626 0.897 0.898 -1589084 16.413 27.158 1.435 0.906 -20987 16.414 21.600 3.725 0.926 34829 16.433 28.821 1.887 0.930 40005 16.457 18.147 1.981 0.928 -128925 16.458 31.632 0.672 0.928 -70087 16.490 28.836 1.230 0.932 43873 16.533 16.569 0.927 0.928 3363972 16.728 14.493 4.030 1.588 102258 16.742 16.740 1.588 1.588 2623496 16.750 25.774 1.120 1.587 91988 16.773 19.226 3.611 1.589 49206 16.784 13.917 0.710 1.588 89923 16.798 22.214 0.840 1.586 88594 16.814 16.821 3.517 3.515 157666 16.878 23.916 0.854 3.510 63941 16.899 17.637 0.839 1.584 77692 17.000 25.753 1.177 0.051 31294 17.034 13.961 0.597 0.918 263108 17.037 17.730 4.073 0.923 43454 17.045 23.395 4.112 0.921 113206 17.053 33.024 4.907 0.927 -27303 17.077 16.668 1.561 0.049 -60195 17.085 18.661 3.889 0.921 47679 17.094 18.655 1.069 0.042 67237 17.096 17.096 0.043 0.046 1614674 17.101 16.014 0.582 0.047 151973 17.120 13.785 3.723 0.044 39843 17.122 24.678 3.193 0.048 66095 17.132 29.616 0.880 0.048 30840 17.317 30.801 3.512 0.963 -49170 17.319 19.160 3.770 0.963 43350 17.335 15.963 2.049 0.961 -165370 17.353 31.049 0.617 0.961 -277865 17.373 26.929 1.515 0.960 81348 17.381 25.336 1.497 0.962 73108 17.390 29.256 1.725 0.961 95941 17.402 15.051 4.431 0.959 61405 17.404 26.128 1.010 0.965 108563 17.404 32.395 1.870 0.962 69894 17.406 21.121 3.001 0.957 -90370 17.421 30.736 3.839 0.957 -41356 17.427 32.516 1.851 0.911 39352 17.452 26.001 1.000 0.942 58443 17.483 25.230 3.117 0.733 70835 17.500 21.161 3.004 0.916 -54134 17.503 13.968 0.293 0.737 200245 17.503 18.325 1.854 0.905 -543521 17.509 17.504 0.738 0.738 2190319 17.511 25.832 1.117 0.740 52522 17.513 17.508 0.899 0.904 39718156 17.515 31.584 0.668 0.736 -155798 17.515 29.319 1.708 0.915 52180 17.524 27.218 1.435 0.908 183818 17.530 27.220 1.182 0.907 230966 17.530 22.231 0.841 0.738 118814 17.534 19.157 4.195 0.907 279057 17.541 33.752 0.838 0.905 -413285 17.549 17.166 1.710 0.740 -76053 17.582 18.553 0.846 0.465 112735 17.585 26.298 0.430 0.459 71780 17.589 19.855 1.125 0.460 192273 17.594 14.959 1.057 0.463 77803 17.599 17.596 0.457 0.461 2258362 17.601 13.617 2.698 0.458 108575 17.603 23.631 0.506 0.460 92128 17.606 29.005 0.457 1.395 -38745 17.633 21.159 3.866 1.393 45171 17.655 13.902 0.712 1.403 101864 17.659 21.263 4.157 1.397 28683 17.665 22.171 3.891 0.464 56789 17.705 33.152 3.885 1.399 -131436 17.707 19.745 4.433 1.400 76521 17.732 23.337 0.972 1.395 60430 17.734 17.739 1.396 1.399 2353076 17.979 21.016 3.940 1.507 57992 18.030 33.648 4.183 1.506 -404309 18.046 18.046 1.503 1.507 7536724 18.070 19.948 4.209 1.508 119702 18.196 31.744 0.669 0.928 -28085 18.383 13.972 0.608 0.853 58896 18.389 29.072 0.996 0.932 20731 18.423 20.933 4.032 0.936 76469 18.431 28.514 1.544 0.853 54483 18.431 22.287 0.600 0.940 82338 18.434 26.009 0.387 0.943 42891 18.445 18.427 0.936 0.937 2160234 18.445 17.807 2.024 0.938 -94085 18.478 28.554 1.253 1.021 57666 18.489 28.607 1.547 1.025 58506 18.491 29.178 2.171 0.937 31625 18.500 18.493 1.017 1.022 2780716 18.505 30.766 3.510 1.016 -39832 18.515 15.017 4.442 1.029 41267 18.517 14.131 -0.315 1.409 -80287 18.518 15.556 2.175 1.020 -107942 18.522 21.331 3.684 1.022 83260 18.524 30.805 3.838 1.022 -49126 18.524 31.499 0.660 1.021 -260043 18.528 22.496 0.893 1.024 79353 18.529 19.952 1.152 0.846 44814 18.530 24.617 4.018 1.412 102084 18.533 18.521 0.857 0.859 2082302 18.538 17.753 4.381 0.857 65651 18.546 17.605 0.457 0.856 142849 18.551 14.942 1.054 0.857 195832 18.553 21.745 0.743 1.017 60067 18.560 23.318 1.271 1.404 60136 18.590 20.898 1.939 0.855 -70376 18.592 28.524 1.223 0.858 56601 18.599 13.810 3.716 1.072 63238 18.621 23.635 0.490 0.855 59776 18.630 18.629 1.062 1.069 2159664 18.633 26.048 0.999 1.023 51207 18.643 26.412 0.445 0.854 39726 18.643 15.095 -0.244 1.070 -40741 18.645 27.293 2.038 1.026 49029 18.669 16.054 0.577 1.071 116188 18.700 28.124 1.642 1.039 17451 18.706 17.057 0.050 1.073 65700 18.778 13.617 4.153 1.405 277740 19.127 25.399 0.968 1.401 79556 19.300 27.007 1.605 1.377 46176 19.345 32.358 1.895 1.368 47618 19.366 31.496 4.348 1.370 -607858 19.374 17.444 0.927 1.370 80754 19.425 26.199 4.284 1.575 40439 19.461 25.175 0.927 1.585 25848 19.467 31.401 4.240 1.575 -488492 19.467 19.463 1.572 1.575 9505316 19.504 16.328 2.850 1.573 -35798 19.735 17.699 1.392 4.430 84880 19.741 21.239 3.942 4.453 26156 19.844 32.310 0.550 1.133 76954 19.848 26.245 0.429 1.130 84390 19.860 32.649 4.318 1.131 -235909 19.877 19.894 4.433 4.431 143432 19.882 19.877 1.126 1.130 3618299 19.884 17.605 0.459 1.131 218701 19.915 23.672 0.502 1.132 50265 20.050 21.002 4.170 4.423 27821 20.066 32.257 2.125 3.893 40802 20.587 32.237 2.296 0.983 159705 20.589 15.182 0.034 0.989 -40301 20.610 28.863 1.970 0.983 58072 20.637 28.853 2.195 0.981 49330 20.658 13.617 2.189 0.987 -63952 20.720 20.232 4.231 0.979 112764 20.780 20.903 3.850 0.975 56095 20.830 22.408 1.118 0.976 1319996 20.875 25.081 3.687 0.974 227020 20.880 31.693 2.059 0.973 459859 20.916 20.898 0.962 0.967 21147004 21.471 26.545 0.760 1.064 149203 21.491 21.485 1.059 1.062 3938758 21.501 33.063 3.871 0.734 -18528 21.529 27.419 4.156 1.063 177701 21.543 22.359 4.214 1.064 159219 21.552 13.970 0.290 1.064 94047 21.643 16.829 3.718 0.747 65380 21.650 16.920 1.844 0.751 -30932 21.682 31.523 0.662 0.748 -123427 21.684 21.697 1.607 1.077 74311 21.693 32.686 1.941 0.747 106850 21.698 21.690 0.742 0.746 2778828 21.699 23.313 0.983 0.746 271442 21.707 27.012 1.462 1.067 30891 21.712 20.518 4.027 0.747 98750 21.713 17.704 0.828 0.746 119131 21.723 22.124 2.850 0.745 -38671 21.728 28.673 1.254 0.744 41261 21.730 22.051 3.327 0.741 -34989 21.741 28.470 1.567 0.749 38617 21.744 18.462 1.010 0.750 48066 21.757 26.843 1.551 0.745 43025 21.757 15.765 2.117 0.740 -20667 22.070 14.989 4.043 1.163 30784 22.075 20.632 2.817 1.161 -54574 22.077 22.075 1.161 1.165 8953695 22.080 21.415 2.527 1.163 -66142 22.087 28.866 2.159 1.162 49216 22.094 20.401 4.235 1.163 210296 22.103 13.617 2.257 1.164 -81117 22.106 32.198 2.296 1.162 191978 22.111 33.536 4.712 0.847 -29747 22.126 27.184 1.496 1.163 52620 22.134 28.838 1.984 1.161 60673 22.205 27.210 1.332 1.163 67029 22.211 26.812 2.026 0.836 37845 22.219 14.388 0.966 0.839 64660 22.222 23.479 1.138 1.134 -117973 22.226 17.530 0.745 0.845 140249 22.232 15.181 0.053 1.169 -50981 22.236 25.751 1.116 0.846 149796 22.236 16.770 1.591 0.842 98484 22.253 25.963 0.377 0.845 80102 22.265 27.422 4.153 4.220 72603 22.274 15.555 1.061 0.599 97230 22.287 26.481 1.394 0.597 64672 22.296 29.456 1.646 0.599 127741 22.299 22.297 0.599 0.599 2783956 22.303 22.310 0.849 0.849 2362168 22.304 33.502 4.240 0.598 -113183 22.304 25.954 0.369 0.598 178369 22.309 18.413 0.933 0.597 79347 22.318 31.531 0.665 0.849 -45389 22.328 21.074 2.968 0.598 -124941 22.334 21.740 1.609 0.597 -35776 22.350 21.504 1.062 4.208 153031 22.367 14.388 0.995 0.600 96684 22.382 22.609 0.897 4.209 31561 22.385 22.384 4.217 4.218 805918 22.402 22.396 1.296 1.300 2344565 22.414 26.593 4.440 1.300 87463 22.418 21.356 3.692 0.889 55396 22.427 15.125 0.029 1.297 -31439 22.430 27.086 3.715 1.304 74281 22.432 16.022 0.583 1.302 108924 22.457 27.397 4.154 0.894 86924 22.468 20.871 0.969 1.110 1042504 22.471 17.139 3.789 0.891 93412 22.472 25.773 1.124 1.302 76774 22.473 13.939 0.297 0.890 92751 22.473 20.593 2.113 0.885 -24414 22.475 28.617 0.260 1.300 -56411 22.478 25.077 3.688 1.109 320701 22.480 31.689 2.057 1.109 492336 22.494 18.633 0.988 0.852 26586 22.541 27.297 4.179 0.952 18824 22.548 27.249 1.493 1.107 33062 22.633 26.955 1.819 0.911 183216 22.638 31.087 4.909 0.910 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21.156 1.798 1.135 -76633 23.366 27.346 1.886 1.135 128099 23.367 28.593 0.270 0.938 -40445 23.371 23.361 1.132 1.135 6890734 23.376 25.930 1.212 1.136 446684 23.387 16.356 4.282 1.135 227198 23.394 21.095 2.322 1.134 -62921 23.416 20.728 2.887 0.500 -28491 23.450 17.894 -0.167 1.131 -25635 23.461 20.438 1.934 0.943 -45630 23.495 19.788 4.073 1.136 25272 23.501 15.768 2.368 1.135 -31241 23.549 15.865 2.456 1.136 -30422 23.562 24.971 0.850 0.839 1567368 23.566 13.617 4.269 0.839 343718 23.575 21.685 1.516 0.839 -254371 23.578 26.995 1.590 0.836 334218 23.583 20.894 0.961 0.965 218325 23.593 21.991 1.828 0.504 -36845 23.600 17.417 4.121 0.497 79408 23.608 23.603 0.498 0.499 3294900 23.608 21.885 1.623 0.497 -53350 23.637 18.514 0.855 0.502 60894 23.641 26.281 1.757 0.502 61746 23.642 25.099 3.732 0.963 23446 23.643 20.840 3.996 0.499 67322 23.645 15.124 1.059 0.497 80316 23.652 26.241 0.437 0.497 202444 23.657 17.613 0.455 0.500 93900 23.665 19.836 1.133 0.494 54811 23.842 26.279 2.258 0.862 35094 23.916 16.769 3.517 0.860 95908 23.998 20.635 2.066 0.845 -19215 24.083 20.100 2.653 4.401 -24487 24.135 25.622 1.122 4.416 33805 24.137 19.776 3.934 0.869 27134 24.382 24.396 4.553 4.556 124115 24.438 31.795 2.573 4.558 24496 24.553 23.272 1.266 4.016 118831 24.571 26.276 4.277 4.008 63794 24.590 18.526 1.412 4.017 94493 24.592 31.417 1.634 4.548 23704 24.864 29.994 2.011 0.953 17875 24.932 13.617 4.270 0.894 92863 24.965 24.960 0.895 0.897 54923096 24.968 21.707 1.552 0.895 -379093 24.989 27.017 1.589 0.891 345874 24.989 27.017 1.589 0.891 345874 25.049 23.552 0.859 0.894 1164003 25.175 25.279 3.118 3.125 128226 25.227 16.949 4.123 0.921 43814 25.235 17.793 4.015 0.916 73612 25.270 17.469 0.732 3.126 65257 25.305 15.272 2.248 0.914 -65859 25.314 20.490 1.518 0.918 -81241 25.319 20.459 1.923 0.916 -90700 25.341 29.540 2.107 0.915 63755 25.429 21.159 1.573 0.971 -66900 25.447 26.996 1.822 0.972 158336 25.465 21.235 1.750 0.970 -54590 25.475 28.831 0.929 1.115 49415 25.485 20.605 2.349 1.141 -32948 25.494 22.663 0.901 0.975 485251 25.494 22.663 0.901 0.975 485251 25.514 19.093 1.396 0.973 105984 25.535 20.659 2.342 1.108 -43587 25.553 20.619 2.279 1.117 -44398 25.637 23.021 1.107 1.116 -20899 25.649 21.826 1.598 0.358 -26405 25.664 18.817 3.904 1.131 42281 25.680 25.259 -0.005 1.133 -23219 25.713 22.404 1.296 1.131 71575 25.720 16.730 1.588 1.131 103828 25.733 24.110 4.394 1.131 39854 25.741 22.364 3.165 3.151 -48357 25.754 17.500 0.734 1.129 63927 25.777 22.269 0.844 1.127 156265 25.786 19.894 2.031 1.133 -26035 25.792 16.085 0.572 1.122 51574 25.840 17.970 -0.129 1.217 -28673 25.845 32.485 1.702 1.215 54236 25.892 20.905 2.345 1.210 -66901 25.908 20.008 2.692 1.132 -20941 25.909 15.756 0.363 1.213 -46641 25.928 19.775 4.075 1.213 99049 25.937 25.933 1.210 1.210 2818859 25.940 23.373 1.130 1.209 407855 25.948 20.993 3.949 1.210 50997 25.949 22.286 0.600 0.379 168145 25.955 27.357 1.893 1.210 95733 25.963 18.498 1.014 1.012 63781 25.968 29.360 1.654 0.392 34150 25.974 21.226 1.797 1.205 -45705 25.977 21.720 1.603 0.382 -42471 25.980 22.187 0.841 0.377 76486 25.984 26.313 1.401 0.381 35104 25.984 15.589 1.062 0.376 64831 25.995 25.991 0.380 0.382 1119397 26.014 14.388 0.984 0.378 52705 26.014 17.338 0.927 1.009 56688 26.017 16.386 4.273 1.220 23163 26.043 26.332 1.767 1.004 49451 26.046 20.723 1.291 1.006 -28104 26.075 20.876 1.219 0.979 -28435 26.096 17.343 3.754 1.012 16771 26.106 19.228 3.789 1.004 84801 26.127 19.335 1.567 4.286 29753 26.132 27.266 2.025 1.009 36471 26.165 26.431 1.767 0.440 28628 26.182 18.501 1.038 0.993 78034 26.186 26.157 0.993 0.997 2102283 26.205 15.017 1.056 0.445 44115 26.209 20.749 2.103 1.002 -49212 26.214 23.289 1.267 4.280 156478 26.233 26.223 4.284 4.280 257467 26.254 21.949 1.787 0.437 -31798 26.260 24.568 4.017 4.282 77653 26.305 21.955 1.601 0.436 -36556 26.307 23.631 0.497 0.442 159857 26.315 17.631 0.454 0.429 72543 26.328 18.475 0.864 0.437 59537 26.331 19.857 1.127 0.442 72631 26.332 17.444 4.014 0.983 40540 26.339 26.172 2.284 0.985 27868 26.398 20.009 3.900 0.980 48504 26.421 16.796 3.517 0.988 33701 26.431 27.095 1.455 0.759 45407 26.496 25.759 1.613 0.760 -29713 26.509 26.213 4.278 0.755 34895 26.539 21.507 1.060 0.762 153141 26.547 22.763 1.059 0.762 265370 26.548 23.296 1.266 0.760 185678 26.552 13.951 0.296 0.759 48680 26.556 26.547 0.758 0.761 1460338 26.596 22.510 1.291 4.441 56466 26.617 25.785 1.256 0.761 -29612 26.720 26.639 4.428 4.434 76041 26.753 25.807 1.117 6.942 -21616 26.903 28.761 -0.323 6.936 42796 26.911 28.853 -0.329 6.963 46362 27.202 27.117 4.409 4.403 51222 27.391 22.353 4.231 4.158 86580 27.391 22.413 0.894 4.146 76594 27.420 27.437 4.158 4.159 281496 27.426 21.523 1.060 4.152 126680 27.454 21.351 3.672 4.154 26401 28.476 21.381 2.825 7.194 58668 28.476 21.381 2.825 7.194 58668 28.524 28.501 0.193 7.195 1500895 28.526 28.509 0.241 7.241 1244034 28.568 23.515 0.919 7.259 -47167 28.585 21.390 3.078 7.197 55271 28.585 21.390 3.078 7.197 55271 28.591 16.888 4.118 7.262 -50079 28.606 15.160 0.037 7.263 322501 28.667 17.165 3.229 7.251 36603 28.675 22.380 1.281 7.255 -56192 28.741 28.437 0.207 6.669 39427 28.809 15.573 1.062 6.660 -33982 28.817 14.141 -0.316 7.213 148834 28.867 28.832 -0.330 6.667 160419 28.869 23.672 0.492 6.674 -34746 28.945 26.875 -0.036 6.665 58434 28.945 26.875 -0.036 6.665 58434 29.015 27.309 0.261 7.475 34141 29.030 28.995 0.477 7.471 146900 29.034 22.159 3.889 7.462 -27521 29.062 17.777 1.397 7.465 -29038 29.066 15.005 1.048 7.465 -55040 29.572 22.634 3.968 7.065 -40110 29.589 16.078 4.492 7.072 -33724 29.698 15.258 -0.212 7.068 577835 29.742 29.742 0.087 7.089 2189237 29.756 17.837 3.415 7.070 20609 31.001 29.537 1.714 0.616 -52740 31.014 31.082 4.931 4.928 40589 31.032 20.625 1.298 0.617 26788 31.040 26.889 1.338 0.614 -117521 31.045 31.045 0.615 0.615 4275930 31.045 26.896 1.530 0.613 -130976 31.053 18.776 3.736 0.614 -123391 31.054 17.369 0.957 0.614 -294199 31.072 15.985 2.047 0.616 62329 31.075 18.486 1.016 0.615 -127194 31.075 15.004 4.436 0.618 -70913 31.107 21.731 0.747 0.623 -63137 31.110 22.663 0.910 4.919 -89813 31.127 32.320 1.858 0.618 -49136 31.310 22.257 0.863 0.630 -37152 31.434 26.687 1.559 0.662 -36659 31.538 19.207 3.627 0.671 -43728 31.542 28.627 1.261 0.675 -83580 31.578 18.510 1.016 0.676 -262407 31.581 17.149 3.786 0.671 -42163 31.589 31.577 0.674 0.676 4923828 31.591 22.439 0.887 0.676 -123182 31.592 21.691 0.749 0.674 -100682 31.594 28.636 1.543 0.676 -82900 31.595 13.940 0.296 0.681 -59728 31.596 17.572 0.770 0.677 -182739 31.606 21.332 3.687 0.677 -131756 31.630 16.666 3.672 0.649 -22497 31.635 17.123 1.701 0.674 44944 31.647 15.572 2.170 0.678 51999 32.894 13.942 0.603 4.919 -19659 32.936 32.948 4.930 4.925 192238 32.950 21.070 2.601 4.913 69512 32.960 17.020 0.909 4.925 -58061 32.973 21.070 2.698 4.914 68501 33.193 23.570 0.839 0.842 -947416 33.357 20.676 3.197 4.722 32696 33.364 29.279 1.711 0.863 -43436 33.366 22.189 0.844 4.723 -57203 33.511 27.232 1.591 4.727 -33438 33.539 33.504 4.723 4.723 187624 33.622 27.228 1.430 0.853 -362332 33.663 21.206 3.002 0.859 43866 33.681 27.236 1.164 0.852 -541612 33.688 33.689 0.853 0.857 37379820 33.706 19.153 4.191 0.857 -125679 33.708 18.334 1.857 0.858 191347 33.808 17.501 0.925 0.857 -402329 33.986 19.113 1.385 0.847 -126852 33.986 23.640 0.838 0.847 2899223 33.987 19.247 1.381 0.851 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 C 1 3121.3 . . . 16498 4 2 C 13 C 2 3121.3 . . . 16498 4 3 H 1 H 2 4197.3 . . . 16498 4 4 H 1 H 1 8000 . . . 16498 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 6 $SPARKY . . 16498 4 stop_ save_