data_34116 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34116 _Entry.Title ; Nuclear Magnetic Resonance Structure of the Human Polyoma JC Virus Agnoprotein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-22 _Entry.Accession_date 2017-03-22 _Entry.Last_release_date 2017-04-17 _Entry.Original_release_date 2017-04-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 P. Coric P. . . . 34116 2 A. Saribas A. S. . . 34116 3 M. Abou-Gharbia M. . . . 34116 4 W. Childers W. . . . 34116 5 J. Condra J. . . . 34116 6 M. White M. K. . . 34116 7 M. Safak M. . . . 34116 8 S. Bouaziz S. . . . 34116 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Agnoprotein . 34116 BKV . 34116 'DNA replication' . 34116 JCV . 34116 'Merkel cell' . 34116 SV40 . 34116 'Viral protein' . 34116 alpha-helix . 34116 dimer . 34116 'intrinsically unstructured' . 34116 oligomer . 34116 polyomavirus . 34116 'progressive multifocal leukoencephalopathy' . 34116 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34116 spectral_peak_list 1 34116 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 457 34116 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 . . 2022-06-21 2017-03-22 update BMRB 'update entry citation' 34116 1 . . 2017-04-20 2017-03-22 original author 'original release' 34116 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5NHQ 'BMRB Entry Tracking System' 34116 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34116 _Citation.ID 1 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 24672035 _Citation.DOI 10.1128/JVI.00146-14 _Citation.Full_citation . _Citation.Title ; Nuclear magnetic resonance structure revealed that the human polyomavirus JC virus agnoprotein contains an alpha-helix encompassing the Leu/Ile/Phe-rich domain. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Virol.' _Citation.Journal_name_full . _Citation.Journal_volume 88 _Citation.Journal_issue . _Citation.Journal_ASTM JOVIAM _Citation.Journal_ISSN 1098-5514 _Citation.Journal_CSD 0825 _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 6556 _Citation.Page_last 6575 _Citation.Year 2014 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Coric P. . . . 34116 1 2 A. Saribas A. S. . . 34116 1 3 M. Abou-Gharbia M. . . . 34116 1 4 W. Childers W. . . . 34116 1 5 M. White M. K. . . 34116 1 6 S. Bouaziz S. . . . 34116 1 7 M. Safak M. . . . 34116 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 34116 _Citation.ID 2 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 28295503 _Citation.DOI 10.1002/jcb.25977 _Citation.Full_citation . _Citation.Title ; Nuclear Magnetic Resonance Structure of the Human Polyoma JC Virus Agnoprotein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Cell. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 118 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1097-4644 _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 3268 _Citation.Page_last 3280 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Coric P. . . . 34116 2 2 A. Saribas A. S. . . 34116 2 3 M. Abou-Gharbia M. . . . 34116 2 4 W. Childers W. . . . 34116 2 5 J. Condra J. . . . 34116 2 6 M. White M. K. . . 34116 2 7 M. Safak M. . . . 34116 2 8 S. Bouaziz S. . . . 34116 2 9 P. Coric P. . . . 34116 2 10 A. Saribas A. S. . . 34116 2 11 M. Abou-Gharbia M. . . . 34116 2 12 W. Childers W. . . . 34116 2 13 M. White M. K. . . 34116 2 14 S. Bouaziz S. . . . 34116 2 15 M. Safak M. . . . 34116 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34116 _Assembly.ID 1 _Assembly.Name Agnoprotein _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34116 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34116 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MVLRQLSRKASVKVSKTWSG TKKRAQRILIFLLEFLLDFC TGEDSVDGKKRQRHSGLTEQ TYSALPEPKAT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8096.414 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Chemically synthetized full protein' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Agno na 34116 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34116 1 2 . VAL . 34116 1 3 . LEU . 34116 1 4 . ARG . 34116 1 5 . GLN . 34116 1 6 . LEU . 34116 1 7 . SER . 34116 1 8 . ARG . 34116 1 9 . LYS . 34116 1 10 . ALA . 34116 1 11 . SER . 34116 1 12 . VAL . 34116 1 13 . LYS . 34116 1 14 . VAL . 34116 1 15 . SER . 34116 1 16 . LYS . 34116 1 17 . THR . 34116 1 18 . TRP . 34116 1 19 . SER . 34116 1 20 . GLY . 34116 1 21 . THR . 34116 1 22 . LYS . 34116 1 23 . LYS . 34116 1 24 . ARG . 34116 1 25 . ALA . 34116 1 26 . GLN . 34116 1 27 . ARG . 34116 1 28 . ILE . 34116 1 29 . LEU . 34116 1 30 . ILE . 34116 1 31 . PHE . 34116 1 32 . LEU . 34116 1 33 . LEU . 34116 1 34 . GLU . 34116 1 35 . PHE . 34116 1 36 . LEU . 34116 1 37 . LEU . 34116 1 38 . ASP . 34116 1 39 . PHE . 34116 1 40 . CYS . 34116 1 41 . THR . 34116 1 42 . GLY . 34116 1 43 . GLU . 34116 1 44 . ASP . 34116 1 45 . SER . 34116 1 46 . VAL . 34116 1 47 . ASP . 34116 1 48 . GLY . 34116 1 49 . LYS . 34116 1 50 . LYS . 34116 1 51 . ARG . 34116 1 52 . GLN . 34116 1 53 . ARG . 34116 1 54 . HIS . 34116 1 55 . SER . 34116 1 56 . GLY . 34116 1 57 . LEU . 34116 1 58 . THR . 34116 1 59 . GLU . 34116 1 60 . GLN . 34116 1 61 . THR . 34116 1 62 . TYR . 34116 1 63 . SER . 34116 1 64 . ALA . 34116 1 65 . LEU . 34116 1 66 . PRO . 34116 1 67 . GLU . 34116 1 68 . PRO . 34116 1 69 . LYS . 34116 1 70 . ALA . 34116 1 71 . THR . 34116 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34116 1 . VAL 2 2 34116 1 . LEU 3 3 34116 1 . ARG 4 4 34116 1 . GLN 5 5 34116 1 . LEU 6 6 34116 1 . SER 7 7 34116 1 . ARG 8 8 34116 1 . LYS 9 9 34116 1 . ALA 10 10 34116 1 . SER 11 11 34116 1 . VAL 12 12 34116 1 . LYS 13 13 34116 1 . VAL 14 14 34116 1 . SER 15 15 34116 1 . LYS 16 16 34116 1 . THR 17 17 34116 1 . TRP 18 18 34116 1 . SER 19 19 34116 1 . GLY 20 20 34116 1 . THR 21 21 34116 1 . LYS 22 22 34116 1 . LYS 23 23 34116 1 . ARG 24 24 34116 1 . ALA 25 25 34116 1 . GLN 26 26 34116 1 . ARG 27 27 34116 1 . ILE 28 28 34116 1 . LEU 29 29 34116 1 . ILE 30 30 34116 1 . PHE 31 31 34116 1 . LEU 32 32 34116 1 . LEU 33 33 34116 1 . GLU 34 34 34116 1 . PHE 35 35 34116 1 . LEU 36 36 34116 1 . LEU 37 37 34116 1 . ASP 38 38 34116 1 . PHE 39 39 34116 1 . CYS 40 40 34116 1 . THR 41 41 34116 1 . GLY 42 42 34116 1 . GLU 43 43 34116 1 . ASP 44 44 34116 1 . SER 45 45 34116 1 . VAL 46 46 34116 1 . ASP 47 47 34116 1 . GLY 48 48 34116 1 . LYS 49 49 34116 1 . LYS 50 50 34116 1 . ARG 51 51 34116 1 . GLN 52 52 34116 1 . ARG 53 53 34116 1 . HIS 54 54 34116 1 . SER 55 55 34116 1 . GLY 56 56 34116 1 . LEU 57 57 34116 1 . THR 58 58 34116 1 . GLU 59 59 34116 1 . GLN 60 60 34116 1 . THR 61 61 34116 1 . TYR 62 62 34116 1 . SER 63 63 34116 1 . ALA 64 64 34116 1 . LEU 65 65 34116 1 . PRO 66 66 34116 1 . GLU 67 67 34116 1 . PRO 68 68 34116 1 . LYS 69 69 34116 1 . ALA 70 70 34116 1 . THR 71 71 34116 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 34116 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10632 organism . 'JC polyomavirus' JCPyV . . Viruses . Betapolyomavirus JCPyV . . . . . . . . . . . . . 34116 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 34116 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34116 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34116 _Sample.ID 1 _Sample.Name . _Sample.Type 'lyophilized powder' _Sample.Sub_type . _Sample.Details '0.2 mM no labelling agnoprotein, trifluoroethanol/water' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 agnoprotein 'natural abundance' . . 1 $entity_1 . . 0.2 . . mM . . . . 34116 1 2 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 34116 1 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 34116 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 . mM 34116 1 pH 3.0 0.2 pH 34116 1 temperature 313 . K 34116 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34116 _Software.ID 1 _Software.Type . _Software.Name Analysis _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34116 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34116 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34116 _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version 2.4.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34116 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34116 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34116 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version 'Version: 1.2 at patch level 1' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34116 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34116 3 'structure calculation' . 34116 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34116 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34116 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34116 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34116 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34116 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 34116 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 34116 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34116 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34116 1 3 '2D DQF-COSY' no . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34116 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34116 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.52 internal direct 1.0 . . . . . 34116 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34116 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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-1H NOESY' . . . 34116 1 2 '2D 1H-1H TOCSY' . . . 34116 1 3 '2D DQF-COSY' . . . 34116 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 MET HA H 1 4.153 . . . . . . . A 1 MET HA . 34116 1 2 . 1 . 1 2 2 VAL H H 1 8.660 . . . . . . . A 2 VAL H . 34116 1 3 . 1 . 1 2 2 VAL HA H 1 4.687 . . . . . . . A 2 VAL HA . 34116 1 4 . 1 . 1 4 4 ARG H H 1 8.445 . . . . . . . A 4 ARG H . 34116 1 5 . 1 . 1 4 4 ARG HA H 1 4.066 . . . . . . . A 4 ARG HA . 34116 1 6 . 1 . 1 4 4 ARG HB2 H 1 1.838 . . . . . . . A 4 ARG HB2 . 34116 1 7 . 1 . 1 4 4 ARG HB3 H 1 1.838 . . . . . . . A 4 ARG HB3 . 34116 1 8 . 1 . 1 4 4 ARG HD2 H 1 3.378 . . . . . . . A 4 ARG HD2 . 34116 1 9 . 1 . 1 4 4 ARG HD3 H 1 3.378 . . . . . . . A 4 ARG HD3 . 34116 1 10 . 1 . 1 5 5 GLN H H 1 8.179 . . . . . . . A 5 GLN H . 34116 1 11 . 1 . 1 5 5 GLN HA H 1 4.358 . . . . . . . A 5 GLN HA . 34116 1 12 . 1 . 1 5 5 GLN HB2 H 1 2.031 . . . . . . . A 5 GLN HB2 . 34116 1 13 . 1 . 1 5 5 GLN HB3 H 1 2.122 . . . . . . . A 5 GLN HB3 . 34116 1 14 . 1 . 1 5 5 GLN HG2 H 1 2.393 . . . . . . . A 5 GLN HG2 . 34116 1 15 . 1 . 1 5 5 GLN HG3 H 1 2.393 . . . . . . . A 5 GLN HG3 . 34116 1 16 . 1 . 1 6 6 LEU H H 1 8.359 . . . . . . . A 6 LEU H . 34116 1 17 . 1 . 1 6 6 LEU HA H 1 4.284 . . . . . . . A 6 LEU HA . 34116 1 18 . 1 . 1 6 6 LEU HG H 1 1.630 . . . . . . . A 6 LEU HG . 34116 1 19 . 1 . 1 6 6 LEU HD11 H 1 0.902 . . . . . . . A 6 LEU HD11 . 34116 1 20 . 1 . 1 6 6 LEU HD12 H 1 0.902 . . . . . . . A 6 LEU HD12 . 34116 1 21 . 1 . 1 6 6 LEU HD13 H 1 0.902 . . . . . . . A 6 LEU HD13 . 34116 1 22 . 1 . 1 6 6 LEU HD21 H 1 0.939 . . . . . . . A 6 LEU HD21 . 34116 1 23 . 1 . 1 6 6 LEU HD22 H 1 0.939 . . . . . . . A 6 LEU HD22 . 34116 1 24 . 1 . 1 6 6 LEU HD23 H 1 0.939 . . . . . . . A 6 LEU HD23 . 34116 1 25 . 1 . 1 7 7 SER H H 1 7.949 . . . . . . . A 7 SER H . 34116 1 26 . 1 . 1 7 7 SER HA H 1 4.359 . . . . . . . A 7 SER HA . 34116 1 27 . 1 . 1 7 7 SER HB2 H 1 3.980 . . . . . . . A 7 SER HB2 . 34116 1 28 . 1 . 1 7 7 SER HB3 H 1 3.980 . . . . . . . A 7 SER HB3 . 34116 1 29 . 1 . 1 8 8 ARG H H 1 8.053 . . . . . . . A 8 ARG H . 34116 1 30 . 1 . 1 8 8 ARG HA H 1 4.057 . . . . . . . A 8 ARG HA . 34116 1 31 . 1 . 1 8 8 ARG HB2 H 1 1.993 . . . . . . . A 8 ARG HB2 . 34116 1 32 . 1 . 1 8 8 ARG HB3 H 1 1.993 . . . . . . . A 8 ARG HB3 . 34116 1 33 . 1 . 1 8 8 ARG HG2 H 1 1.745 . . . . . . . A 8 ARG HG2 . 34116 1 34 . 1 . 1 8 8 ARG HG3 H 1 1.745 . . . . . . . A 8 ARG HG3 . 34116 1 35 . 1 . 1 8 8 ARG HD2 H 1 3.223 . . . . . . . A 8 ARG HD2 . 34116 1 36 . 1 . 1 8 8 ARG HD3 H 1 3.223 . . . . . . . A 8 ARG HD3 . 34116 1 37 . 1 . 1 9 9 LYS H H 1 8.034 . . . . . . . A 9 LYS H . 34116 1 38 . 1 . 1 9 9 LYS HA H 1 4.144 . . . . . . . A 9 LYS HA . 34116 1 39 . 1 . 1 9 9 LYS HB2 H 1 1.938 . . . . . . . A 9 LYS HB2 . 34116 1 40 . 1 . 1 9 9 LYS HB3 H 1 1.938 . . . . . . . A 9 LYS HB3 . 34116 1 41 . 1 . 1 9 9 LYS HG2 H 1 1.500 . . . . . . . A 9 LYS HG2 . 34116 1 42 . 1 . 1 9 9 LYS HG3 H 1 1.500 . . . . . . . A 9 LYS HG3 . 34116 1 43 . 1 . 1 9 9 LYS HD2 H 1 1.627 . . . . . . . A 9 LYS HD2 . 34116 1 44 . 1 . 1 9 9 LYS HD3 H 1 1.627 . . . . . . . A 9 LYS HD3 . 34116 1 45 . 1 . 1 9 9 LYS HE2 H 1 3.010 . . . . . . . A 9 LYS HE2 . 34116 1 46 . 1 . 1 9 9 LYS HE3 H 1 3.010 . . . . . . . A 9 LYS HE3 . 34116 1 47 . 1 . 1 10 10 ALA H H 1 8.212 . . . . . . . A 10 ALA H . 34116 1 48 . 1 . 1 10 10 ALA HA H 1 4.211 . . . . . . . A 10 ALA HA . 34116 1 49 . 1 . 1 10 10 ALA HB1 H 1 1.497 . . . . . . . A 10 ALA HB1 . 34116 1 50 . 1 . 1 10 10 ALA HB2 H 1 1.497 . . . . . . . A 10 ALA HB2 . 34116 1 51 . 1 . 1 10 10 ALA HB3 H 1 1.497 . . . . . . . A 10 ALA HB3 . 34116 1 52 . 1 . 1 11 11 SER H H 1 8.008 . . . . . . . A 11 SER H . 34116 1 53 . 1 . 1 11 11 SER HA H 1 4.277 . . . . . . . A 11 SER HA . 34116 1 54 . 1 . 1 11 11 SER HB2 H 1 4.073 . . . . . . . A 11 SER HB2 . 34116 1 55 . 1 . 1 11 11 SER HB3 H 1 4.000 . . . . . . . A 11 SER HB3 . 34116 1 56 . 1 . 1 12 12 VAL H H 1 7.863 . . . . . . . A 12 VAL H . 34116 1 57 . 1 . 1 12 12 VAL HA H 1 3.879 . . . . . . . A 12 VAL HA . 34116 1 58 . 1 . 1 12 12 VAL HB H 1 2.232 . . . . . . . A 12 VAL HB . 34116 1 59 . 1 . 1 12 12 VAL HG11 H 1 1.089 . . . . . . . A 12 VAL HG11 . 34116 1 60 . 1 . 1 12 12 VAL HG12 H 1 1.089 . . . . . . . A 12 VAL HG12 . 34116 1 61 . 1 . 1 12 12 VAL HG13 H 1 1.089 . . . . . . . A 12 VAL HG13 . 34116 1 62 . 1 . 1 12 12 VAL HG21 H 1 0.990 . . . . . . . A 12 VAL HG21 . 34116 1 63 . 1 . 1 12 12 VAL HG22 H 1 0.990 . . . . . . . A 12 VAL HG22 . 34116 1 64 . 1 . 1 12 12 VAL HG23 H 1 0.990 . . . . . . . A 12 VAL HG23 . 34116 1 65 . 1 . 1 13 13 LYS H H 1 7.911 . . . . . . . A 13 LYS H . 34116 1 66 . 1 . 1 13 13 LYS HA H 1 4.333 . . . . . . . A 13 LYS HA . 34116 1 67 . 1 . 1 13 13 LYS HB2 H 1 1.671 . . . . . . . A 13 LYS HB2 . 34116 1 68 . 1 . 1 13 13 LYS HB3 H 1 1.745 . . . . . . . A 13 LYS HB3 . 34116 1 69 . 1 . 1 13 13 LYS HG2 H 1 1.505 . . . . . . . A 13 LYS HG2 . 34116 1 70 . 1 . 1 13 13 LYS HG3 H 1 1.505 . . . . . . . A 13 LYS HG3 . 34116 1 71 . 1 . 1 13 13 LYS HE2 H 1 3.033 . . . . . . . A 13 LYS HE2 . 34116 1 72 . 1 . 1 13 13 LYS HE3 H 1 3.033 . . . . . . . A 13 LYS HE3 . 34116 1 73 . 1 . 1 14 14 VAL H H 1 8.274 . . . . . . . A 14 VAL H . 34116 1 74 . 1 . 1 14 14 VAL HA H 1 3.856 . . . . . . . A 14 VAL HA . 34116 1 75 . 1 . 1 14 14 VAL HB H 1 2.141 . . . . . . . A 14 VAL HB . 34116 1 76 . 1 . 1 14 14 VAL HG11 H 1 1.047 . . . . . . . A 14 VAL HG11 . 34116 1 77 . 1 . 1 14 14 VAL HG12 H 1 1.047 . . . . . . . A 14 VAL HG12 . 34116 1 78 . 1 . 1 14 14 VAL HG13 H 1 1.047 . . . . . . . A 14 VAL HG13 . 34116 1 79 . 1 . 1 14 14 VAL HG21 H 1 0.912 . . . . . . . A 14 VAL HG21 . 34116 1 80 . 1 . 1 14 14 VAL HG22 H 1 0.912 . . . . . . . A 14 VAL HG22 . 34116 1 81 . 1 . 1 14 14 VAL HG23 H 1 0.912 . . . . . . . A 14 VAL HG23 . 34116 1 82 . 1 . 1 15 15 SER H H 1 8.037 . . . . . . . A 15 SER H . 34116 1 83 . 1 . 1 15 15 SER HA H 1 4.345 . . . . . . . A 15 SER HA . 34116 1 84 . 1 . 1 15 15 SER HB2 H 1 3.921 . . . . . . . A 15 SER HB2 . 34116 1 85 . 1 . 1 15 15 SER HB3 H 1 3.921 . . . . . . . A 15 SER HB3 . 34116 1 86 . 1 . 1 16 16 LYS H H 1 8.020 . . . . . . . A 16 LYS H . 34116 1 87 . 1 . 1 16 16 LYS HA H 1 4.402 . . . . . . . A 16 LYS HA . 34116 1 88 . 1 . 1 17 17 THR H H 1 7.910 . . . . . . . A 17 THR H . 34116 1 89 . 1 . 1 17 17 THR HA H 1 4.351 . . . . . . . A 17 THR HA . 34116 1 90 . 1 . 1 17 17 THR HB H 1 4.215 . . . . . . . A 17 THR HB . 34116 1 91 . 1 . 1 17 17 THR HG21 H 1 1.238 . . . . . . . A 17 THR HG21 . 34116 1 92 . 1 . 1 17 17 THR HG22 H 1 1.238 . . . . . . . A 17 THR HG22 . 34116 1 93 . 1 . 1 17 17 THR HG23 H 1 1.238 . . . . . . . A 17 THR HG23 . 34116 1 94 . 1 . 1 18 18 TRP H H 1 8.452 . . . . . . . A 18 TRP H . 34116 1 95 . 1 . 1 18 18 TRP HA H 1 4.672 . . . . . . . A 18 TRP HA . 34116 1 96 . 1 . 1 18 18 TRP HB2 H 1 3.419 . . . . . . . A 18 TRP HB2 . 34116 1 97 . 1 . 1 18 18 TRP HB3 H 1 3.419 . . . . . . . A 18 TRP HB3 . 34116 1 98 . 1 . 1 18 18 TRP HD1 H 1 7.272 . . . . . . . A 18 TRP HD1 . 34116 1 99 . 1 . 1 18 18 TRP HE3 H 1 7.636 . . . . . . . A 18 TRP HE3 . 34116 1 100 . 1 . 1 18 18 TRP HZ2 H 1 7.472 . . . . . . . A 18 TRP HZ2 . 34116 1 101 . 1 . 1 18 18 TRP HZ3 H 1 7.133 . . . . . . . A 18 TRP HZ3 . 34116 1 102 . 1 . 1 18 18 TRP HH2 H 1 7.215 . . . . . . . A 18 TRP HH2 . 34116 1 103 . 1 . 1 19 19 SER H H 1 8.268 . . . . . . . A 19 SER H . 34116 1 104 . 1 . 1 19 19 SER HA H 1 4.219 . . . . . . . A 19 SER HA . 34116 1 105 . 1 . 1 19 19 SER HB2 H 1 3.857 . . . . . . . A 19 SER HB2 . 34116 1 106 . 1 . 1 19 19 SER HB3 H 1 3.857 . . . . . . . A 19 SER HB3 . 34116 1 107 . 1 . 1 20 20 GLY H H 1 8.103 . . . . . . . A 20 GLY H . 34116 1 108 . 1 . 1 20 20 GLY HA2 H 1 3.963 . . . . . . . A 20 GLY HA2 . 34116 1 109 . 1 . 1 20 20 GLY HA3 H 1 3.963 . . . . . . . A 20 GLY HA3 . 34116 1 110 . 1 . 1 21 21 THR H H 1 7.969 . . . . . . . A 21 THR H . 34116 1 111 . 1 . 1 21 21 THR HA H 1 4.322 . . . . . . . A 21 THR HA . 34116 1 112 . 1 . 1 21 21 THR HB H 1 4.096 . . . . . . . A 21 THR HB . 34116 1 113 . 1 . 1 21 21 THR HG21 H 1 1.295 . . . . . . . A 21 THR HG21 . 34116 1 114 . 1 . 1 21 21 THR HG22 H 1 1.295 . . . . . . . A 21 THR HG22 . 34116 1 115 . 1 . 1 21 21 THR HG23 H 1 1.295 . . . . . . . A 21 THR HG23 . 34116 1 116 . 1 . 1 22 22 LYS H H 1 8.093 . . . . . . . A 22 LYS H . 34116 1 117 . 1 . 1 22 22 LYS HA H 1 4.211 . . . . . . . A 22 LYS HA . 34116 1 118 . 1 . 1 22 22 LYS HB2 H 1 1.913 . . . . . . . A 22 LYS HB2 . 34116 1 119 . 1 . 1 22 22 LYS HG2 H 1 1.443 . . . . . . . A 22 LYS HG2 . 34116 1 120 . 1 . 1 23 23 LYS H H 1 7.917 . . . . . . . A 23 LYS H . 34116 1 121 . 1 . 1 23 23 LYS HA H 1 4.156 . . . . . . . A 23 LYS HA . 34116 1 122 . 1 . 1 23 23 LYS HB2 H 1 1.825 . . . . . . . A 23 LYS HB2 . 34116 1 123 . 1 . 1 23 23 LYS HB3 H 1 1.825 . . . . . . . A 23 LYS HB3 . 34116 1 124 . 1 . 1 23 23 LYS HG2 H 1 1.486 . . . . . . . A 23 LYS HG2 . 34116 1 125 . 1 . 1 23 23 LYS HG3 H 1 1.486 . . . . . . . A 23 LYS HG3 . 34116 1 126 . 1 . 1 23 23 LYS HD2 H 1 1.730 . . . . . . . A 23 LYS HD2 . 34116 1 127 . 1 . 1 23 23 LYS HD3 H 1 1.730 . . . . . . . A 23 LYS HD3 . 34116 1 128 . 1 . 1 24 24 ARG H H 1 7.876 . . . . . . . A 24 ARG H . 34116 1 129 . 1 . 1 24 24 ARG HA H 1 4.093 . . . . . . . A 24 ARG HA . 34116 1 130 . 1 . 1 24 24 ARG HB2 H 1 1.705 . . . . . . . A 24 ARG HB2 . 34116 1 131 . 1 . 1 24 24 ARG HB3 H 1 1.728 . . . . . . . A 24 ARG HB3 . 34116 1 132 . 1 . 1 24 24 ARG HG2 H 1 1.643 . . . . . . . A 24 ARG HG2 . 34116 1 133 . 1 . 1 24 24 ARG HG3 H 1 1.643 . . . . . . . A 24 ARG HG3 . 34116 1 134 . 1 . 1 24 24 ARG HD2 H 1 3.231 . . . . . . . A 24 ARG HD2 . 34116 1 135 . 1 . 1 24 24 ARG HD3 H 1 3.231 . . . . . . . A 24 ARG HD3 . 34116 1 136 . 1 . 1 24 24 ARG HE H 1 7.231 . . . . . . . A 24 ARG HE . 34116 1 137 . 1 . 1 25 25 ALA H H 1 8.150 . . . . . . . A 25 ALA H . 34116 1 138 . 1 . 1 25 25 ALA HA H 1 4.114 . . . . . . . A 25 ALA HA . 34116 1 139 . 1 . 1 25 25 ALA HB1 H 1 1.509 . . . . . . . A 25 ALA HB1 . 34116 1 140 . 1 . 1 25 25 ALA HB2 H 1 1.509 . . . . . . . A 25 ALA HB2 . 34116 1 141 . 1 . 1 25 25 ALA HB3 H 1 1.509 . . . . . . . A 25 ALA HB3 . 34116 1 142 . 1 . 1 26 26 GLN H H 1 8.060 . . . . . . . A 26 GLN H . 34116 1 143 . 1 . 1 26 26 GLN HA H 1 4.028 . . . . . . . A 26 GLN HA . 34116 1 144 . 1 . 1 26 26 GLN HB2 H 1 2.181 . . . . . . . A 26 GLN HB2 . 34116 1 145 . 1 . 1 26 26 GLN HB3 H 1 2.257 . . . . . . . A 26 GLN HB3 . 34116 1 146 . 1 . 1 26 26 GLN HG2 H 1 2.382 . . . . . . . A 26 GLN HG2 . 34116 1 147 . 1 . 1 26 26 GLN HG3 H 1 2.544 . . . . . . . A 26 GLN HG3 . 34116 1 148 . 1 . 1 26 26 GLN HE21 H 1 6.620 . . . . . . . A 26 GLN HE21 . 34116 1 149 . 1 . 1 26 26 GLN HE22 H 1 6.915 . . . . . . . A 26 GLN HE22 . 34116 1 150 . 1 . 1 27 27 ARG H H 1 7.740 . . . . . . . A 27 ARG H . 34116 1 151 . 1 . 1 27 27 ARG HA H 1 4.074 . . . . . . . A 27 ARG HA . 34116 1 152 . 1 . 1 27 27 ARG HB2 H 1 2.024 . . . . . . . A 27 ARG HB2 . 34116 1 153 . 1 . 1 27 27 ARG HB3 H 1 1.828 . . . . . . . A 27 ARG HB3 . 34116 1 154 . 1 . 1 27 27 ARG HG2 H 1 1.738 . . . . . . . A 27 ARG HG2 . 34116 1 155 . 1 . 1 27 27 ARG HG3 H 1 1.828 . . . . . . . A 27 ARG HG3 . 34116 1 156 . 1 . 1 27 27 ARG HD2 H 1 3.226 . . . . . . . A 27 ARG HD2 . 34116 1 157 . 1 . 1 27 27 ARG HD3 H 1 3.226 . . . . . . . A 27 ARG HD3 . 34116 1 158 . 1 . 1 27 27 ARG HE H 1 7.279 . . . . . . . A 27 ARG HE . 34116 1 159 . 1 . 1 28 28 ILE H H 1 7.859 . . . . . . . A 28 ILE H . 34116 1 160 . 1 . 1 28 28 ILE HA H 1 3.885 . . . . . . . A 28 ILE HA . 34116 1 161 . 1 . 1 28 28 ILE HB H 1 2.035 . . . . . . . A 28 ILE HB . 34116 1 162 . 1 . 1 28 28 ILE HG12 H 1 1.377 . . . . . . . A 28 ILE HG12 . 34116 1 163 . 1 . 1 28 28 ILE HG13 H 1 1.377 . . . . . . . A 28 ILE HG13 . 34116 1 164 . 1 . 1 28 28 ILE HG21 H 1 0.993 . . . . . . . A 28 ILE HG21 . 34116 1 165 . 1 . 1 28 28 ILE HG22 H 1 0.993 . . . . . . . A 28 ILE HG22 . 34116 1 166 . 1 . 1 28 28 ILE HG23 H 1 0.993 . . . . . . . A 28 ILE HG23 . 34116 1 167 . 1 . 1 28 28 ILE HD11 H 1 0.875 . . . . . . . A 28 ILE HD11 . 34116 1 168 . 1 . 1 28 28 ILE HD12 H 1 0.875 . . . . . . . A 28 ILE HD12 . 34116 1 169 . 1 . 1 28 28 ILE HD13 H 1 0.875 . . . . . . . A 28 ILE HD13 . 34116 1 170 . 1 . 1 29 29 LEU H H 1 7.976 . . . . . . . A 29 LEU H . 34116 1 171 . 1 . 1 29 29 LEU HA H 1 4.150 . . . . . . . A 29 LEU HA . 34116 1 172 . 1 . 1 29 29 LEU HB2 H 1 1.637 . . . . . . . A 29 LEU HB2 . 34116 1 173 . 1 . 1 29 29 LEU HB3 H 1 1.637 . . . . . . . A 29 LEU HB3 . 34116 1 174 . 1 . 1 29 29 LEU HD11 H 1 0.869 . . . . . . . A 29 LEU HD11 . 34116 1 175 . 1 . 1 29 29 LEU HD12 H 1 0.869 . . . . . . . A 29 LEU HD12 . 34116 1 176 . 1 . 1 29 29 LEU HD13 H 1 0.869 . . . . . . . A 29 LEU HD13 . 34116 1 177 . 1 . 1 29 29 LEU HD21 H 1 0.945 . . . . . . . A 29 LEU HD21 . 34116 1 178 . 1 . 1 29 29 LEU HD22 H 1 0.945 . . . . . . . A 29 LEU HD22 . 34116 1 179 . 1 . 1 29 29 LEU HD23 H 1 0.945 . . . . . . . A 29 LEU HD23 . 34116 1 180 . 1 . 1 30 30 ILE H H 1 7.934 . . . . . . . A 30 ILE H . 34116 1 181 . 1 . 1 30 30 ILE HA H 1 3.812 . . . . . . . A 30 ILE HA . 34116 1 182 . 1 . 1 30 30 ILE HB H 1 1.959 . . . . . . . A 30 ILE HB . 34116 1 183 . 1 . 1 30 30 ILE HG12 H 1 1.759 . . . . . . . A 30 ILE HG12 . 34116 1 184 . 1 . 1 30 30 ILE HG13 H 1 1.295 . . . . . . . A 30 ILE HG13 . 34116 1 185 . 1 . 1 30 30 ILE HG21 H 1 0.941 . . . . . . . A 30 ILE HG21 . 34116 1 186 . 1 . 1 30 30 ILE HG22 H 1 0.941 . . . . . . . A 30 ILE HG22 . 34116 1 187 . 1 . 1 30 30 ILE HG23 H 1 0.941 . . . . . . . A 30 ILE HG23 . 34116 1 188 . 1 . 1 30 30 ILE HD11 H 1 0.873 . . . . . . . A 30 ILE HD11 . 34116 1 189 . 1 . 1 30 30 ILE HD12 H 1 0.873 . . . . . . . A 30 ILE HD12 . 34116 1 190 . 1 . 1 30 30 ILE HD13 H 1 0.873 . . . . . . . A 30 ILE HD13 . 34116 1 191 . 1 . 1 31 31 PHE H H 1 7.809 . . . . . . . A 31 PHE H . 34116 1 192 . 1 . 1 31 31 PHE HA H 1 4.373 . . . . . . . A 31 PHE HA . 34116 1 193 . 1 . 1 31 31 PHE HB2 H 1 3.399 . . . . . . . A 31 PHE HB2 . 34116 1 194 . 1 . 1 31 31 PHE HB3 H 1 3.289 . . . . . . . A 31 PHE HB3 . 34116 1 195 . 1 . 1 32 32 LEU H H 1 8.565 . . . . . . . A 32 LEU H . 34116 1 196 . 1 . 1 32 32 LEU HA H 1 4.108 . . . . . . . A 32 LEU HA . 34116 1 197 . 1 . 1 32 32 LEU HB2 H 1 1.741 . . . . . . . A 32 LEU HB2 . 34116 1 198 . 1 . 1 32 32 LEU HB3 H 1 1.741 . . . . . . . A 32 LEU HB3 . 34116 1 199 . 1 . 1 32 32 LEU HG H 1 1.657 . . . . . . . A 32 LEU HG . 34116 1 200 . 1 . 1 32 32 LEU HD11 H 1 0.940 . . . . . . . A 32 LEU HD11 . 34116 1 201 . 1 . 1 32 32 LEU HD12 H 1 0.940 . . . . . . . A 32 LEU HD12 . 34116 1 202 . 1 . 1 32 32 LEU HD13 H 1 0.940 . . . . . . . A 32 LEU HD13 . 34116 1 203 . 1 . 1 32 32 LEU HD21 H 1 0.940 . . . . . . . A 32 LEU HD21 . 34116 1 204 . 1 . 1 32 32 LEU HD22 H 1 0.940 . . . . . . . A 32 LEU HD22 . 34116 1 205 . 1 . 1 32 32 LEU HD23 H 1 0.940 . . . . . . . A 32 LEU HD23 . 34116 1 206 . 1 . 1 33 33 LEU H H 1 8.566 . . . . . . . A 33 LEU H . 34116 1 207 . 1 . 1 33 33 LEU HA H 1 4.129 . . . . . . . A 33 LEU HA . 34116 1 208 . 1 . 1 33 33 LEU HB2 H 1 1.921 . . . . . . . A 33 LEU HB2 . 34116 1 209 . 1 . 1 33 33 LEU HB3 H 1 1.921 . . . . . . . A 33 LEU HB3 . 34116 1 210 . 1 . 1 33 33 LEU HG H 1 1.639 . . . . . . . A 33 LEU HG . 34116 1 211 . 1 . 1 33 33 LEU HD11 H 1 0.878 . . . . . . . A 33 LEU HD11 . 34116 1 212 . 1 . 1 33 33 LEU HD12 H 1 0.878 . . . . . . . A 33 LEU HD12 . 34116 1 213 . 1 . 1 33 33 LEU HD13 H 1 0.878 . . . . . . . A 33 LEU HD13 . 34116 1 214 . 1 . 1 33 33 LEU HD21 H 1 0.935 . . . . . . . A 33 LEU HD21 . 34116 1 215 . 1 . 1 33 33 LEU HD22 H 1 0.935 . . . . . . . A 33 LEU HD22 . 34116 1 216 . 1 . 1 33 33 LEU HD23 H 1 0.935 . . . . . . . A 33 LEU HD23 . 34116 1 217 . 1 . 1 34 34 GLU H H 1 8.333 . . . . . . . A 34 GLU H . 34116 1 218 . 1 . 1 34 34 GLU HA H 1 3.963 . . . . . . . A 34 GLU HA . 34116 1 219 . 1 . 1 34 34 GLU HB2 H 1 2.253 . . . . . . . A 34 GLU HB2 . 34116 1 220 . 1 . 1 34 34 GLU HB3 H 1 2.081 . . . . . . . A 34 GLU HB3 . 34116 1 221 . 1 . 1 34 34 GLU HG2 H 1 2.652 . . . . . . . A 34 GLU HG2 . 34116 1 222 . 1 . 1 34 34 GLU HG3 H 1 2.398 . . . . . . . A 34 GLU HG3 . 34116 1 223 . 1 . 1 35 35 PHE H H 1 8.270 . . . . . . . A 35 PHE H . 34116 1 224 . 1 . 1 35 35 PHE HA H 1 4.252 . . . . . . . A 35 PHE HA . 34116 1 225 . 1 . 1 35 35 PHE HB2 H 1 2.982 . . . . . . . A 35 PHE HB2 . 34116 1 226 . 1 . 1 35 35 PHE HB3 H 1 3.240 . . . . . . . A 35 PHE HB3 . 34116 1 227 . 1 . 1 35 35 PHE HD1 H 1 7.165 . . . . . . . A 35 PHE HD1 . 34116 1 228 . 1 . 1 35 35 PHE HD2 H 1 7.165 . . . . . . . A 35 PHE HD2 . 34116 1 229 . 1 . 1 36 36 LEU H H 1 8.621 . . . . . . . A 36 LEU H . 34116 1 230 . 1 . 1 36 36 LEU HA H 1 4.057 . . . . . . . A 36 LEU HA . 34116 1 231 . 1 . 1 36 36 LEU HB2 H 1 1.644 . . . . . . . A 36 LEU HB2 . 34116 1 232 . 1 . 1 36 36 LEU HB3 H 1 1.980 . . . . . . . A 36 LEU HB3 . 34116 1 233 . 1 . 1 36 36 LEU HG H 1 1.644 . . . . . . . A 36 LEU HG . 34116 1 234 . 1 . 1 36 36 LEU HD21 H 1 0.947 . . . . . . . A 36 LEU HD21 . 34116 1 235 . 1 . 1 36 36 LEU HD22 H 1 0.947 . . . . . . . A 36 LEU HD22 . 34116 1 236 . 1 . 1 36 36 LEU HD23 H 1 0.947 . . . . . . . A 36 LEU HD23 . 34116 1 237 . 1 . 1 37 37 LEU H H 1 8.567 . . . . . . . A 37 LEU H . 34116 1 238 . 1 . 1 37 37 LEU HA H 1 4.129 . . . . . . . A 37 LEU HA . 34116 1 239 . 1 . 1 37 37 LEU HB2 H 1 1.870 . . . . . . . A 37 LEU HB2 . 34116 1 240 . 1 . 1 37 37 LEU HB3 H 1 1.870 . . . . . . . A 37 LEU HB3 . 34116 1 241 . 1 . 1 37 37 LEU HG H 1 1.528 . . . . . . . A 37 LEU HG . 34116 1 242 . 1 . 1 37 37 LEU HD11 H 1 0.940 . . . . . . . A 37 LEU HD11 . 34116 1 243 . 1 . 1 37 37 LEU HD12 H 1 0.940 . . . . . . . A 37 LEU HD12 . 34116 1 244 . 1 . 1 37 37 LEU HD13 H 1 0.940 . . . . . . . A 37 LEU HD13 . 34116 1 245 . 1 . 1 37 37 LEU HD21 H 1 0.879 . . . . . . . A 37 LEU HD21 . 34116 1 246 . 1 . 1 37 37 LEU HD22 H 1 0.879 . . . . . . . A 37 LEU HD22 . 34116 1 247 . 1 . 1 37 37 LEU HD23 H 1 0.879 . . . . . . . A 37 LEU HD23 . 34116 1 248 . 1 . 1 38 38 ASP H H 1 8.153 . . . . . . . A 38 ASP H . 34116 1 249 . 1 . 1 38 38 ASP HA H 1 4.468 . . . . . . . A 38 ASP HA . 34116 1 250 . 1 . 1 38 38 ASP HB2 H 1 2.668 . . . . . . . A 38 ASP HB2 . 34116 1 251 . 1 . 1 38 38 ASP HB3 H 1 2.881 . . . . . . . A 38 ASP HB3 . 34116 1 252 . 1 . 1 39 39 PHE H H 1 8.328 . . . . . . . A 39 PHE H . 34116 1 253 . 1 . 1 39 39 PHE HA H 1 4.340 . . . . . . . A 39 PHE HA . 34116 1 254 . 1 . 1 39 39 PHE HB2 H 1 3.122 . . . . . . . A 39 PHE HB2 . 34116 1 255 . 1 . 1 39 39 PHE HB3 H 1 2.887 . . . . . . . A 39 PHE HB3 . 34116 1 256 . 1 . 1 39 39 PHE HD1 H 1 7.196 . . . . . . . A 39 PHE HD1 . 34116 1 257 . 1 . 1 39 39 PHE HD2 H 1 7.196 . . . . . . . A 39 PHE HD2 . 34116 1 258 . 1 . 1 40 40 CYS H H 1 8.367 . . . . . . . A 40 CYS H . 34116 1 259 . 1 . 1 40 40 CYS HA H 1 4.337 . . . . . . . A 40 CYS HA . 34116 1 260 . 1 . 1 40 40 CYS HB2 H 1 2.983 . . . . . . . A 40 CYS HB2 . 34116 1 261 . 1 . 1 40 40 CYS HB3 H 1 3.084 . . . . . . . A 40 CYS HB3 . 34116 1 262 . 1 . 1 41 41 THR H H 1 7.871 . . . . . . . A 41 THR H . 34116 1 263 . 1 . 1 41 41 THR HA H 1 4.153 . . . . . . . A 41 THR HA . 34116 1 264 . 1 . 1 41 41 THR HB H 1 4.365 . . . . . . . A 41 THR HB . 34116 1 265 . 1 . 1 41 41 THR HG21 H 1 1.293 . . . . . . . A 41 THR HG21 . 34116 1 266 . 1 . 1 41 41 THR HG22 H 1 1.293 . . . . . . . A 41 THR HG22 . 34116 1 267 . 1 . 1 41 41 THR HG23 H 1 1.293 . . . . . . . A 41 THR HG23 . 34116 1 268 . 1 . 1 42 42 GLY H H 1 8.218 . . . . . . . A 42 GLY H . 34116 1 269 . 1 . 1 42 42 GLY HA2 H 1 3.916 . . . . . . . A 42 GLY HA2 . 34116 1 270 . 1 . 1 42 42 GLY HA3 H 1 3.996 . . . . . . . A 42 GLY HA3 . 34116 1 271 . 1 . 1 43 43 GLU H H 1 8.136 . . . . . . . A 43 GLU H . 34116 1 272 . 1 . 1 43 43 GLU HA H 1 4.282 . . . . . . . A 43 GLU HA . 34116 1 273 . 1 . 1 43 43 GLU HB2 H 1 2.138 . . . . . . . A 43 GLU HB2 . 34116 1 274 . 1 . 1 43 43 GLU HB3 H 1 2.080 . . . . . . . A 43 GLU HB3 . 34116 1 275 . 1 . 1 43 43 GLU HG2 H 1 2.356 . . . . . . . A 43 GLU HG2 . 34116 1 276 . 1 . 1 44 44 ASP H H 1 8.269 . . . . . . . A 44 ASP H . 34116 1 277 . 1 . 1 44 44 ASP HA H 1 4.692 . . . . . . . A 44 ASP HA . 34116 1 278 . 1 . 1 44 44 ASP HB2 H 1 2.803 . . . . . . . A 44 ASP HB2 . 34116 1 279 . 1 . 1 44 44 ASP HB3 H 1 2.757 . . . . . . . A 44 ASP HB3 . 34116 1 280 . 1 . 1 45 45 SER H H 1 8.076 . . . . . . . A 45 SER H . 34116 1 281 . 1 . 1 45 45 SER HA H 1 4.505 . . . . . . . A 45 SER HA . 34116 1 282 . 1 . 1 46 46 VAL H H 1 8.041 . . . . . . . A 46 VAL H . 34116 1 283 . 1 . 1 46 46 VAL HA H 1 4.060 . . . . . . . A 46 VAL HA . 34116 1 284 . 1 . 1 46 46 VAL HB H 1 2.183 . . . . . . . A 46 VAL HB . 34116 1 285 . 1 . 1 46 46 VAL HG11 H 1 1.004 . . . . . . . A 46 VAL HG11 . 34116 1 286 . 1 . 1 46 46 VAL HG12 H 1 1.004 . . . . . . . A 46 VAL HG12 . 34116 1 287 . 1 . 1 46 46 VAL HG13 H 1 1.004 . . . . . . . A 46 VAL HG13 . 34116 1 288 . 1 . 1 46 46 VAL HG21 H 1 1.004 . . . . . . . A 46 VAL HG21 . 34116 1 289 . 1 . 1 46 46 VAL HG22 H 1 1.004 . . . . . . . A 46 VAL HG22 . 34116 1 290 . 1 . 1 46 46 VAL HG23 H 1 1.004 . . . . . . . A 46 VAL HG23 . 34116 1 291 . 1 . 1 47 47 ASP H H 1 8.173 . . . . . . . A 47 ASP H . 34116 1 292 . 1 . 1 47 47 ASP HA H 1 4.624 . . . . . . . A 47 ASP HA . 34116 1 293 . 1 . 1 47 47 ASP HB2 H 1 2.778 . . . . . . . A 47 ASP HB2 . 34116 1 294 . 1 . 1 47 47 ASP HB3 H 1 2.778 . . . . . . . A 47 ASP HB3 . 34116 1 295 . 1 . 1 48 48 GLY H H 1 8.205 . . . . . . . A 48 GLY H . 34116 1 296 . 1 . 1 48 48 GLY HA2 H 1 3.926 . . . . . . . A 48 GLY HA2 . 34116 1 297 . 1 . 1 48 48 GLY HA3 H 1 4.002 . . . . . . . A 48 GLY HA3 . 34116 1 298 . 1 . 1 49 49 LYS H H 1 8.047 . . . . . . . A 49 LYS H . 34116 1 299 . 1 . 1 49 49 LYS HA H 1 4.329 . . . . . . . A 49 LYS HA . 34116 1 300 . 1 . 1 49 49 LYS HB2 H 1 1.727 . . . . . . . A 49 LYS HB2 . 34116 1 301 . 1 . 1 49 49 LYS HG2 H 1 1.457 . . . . . . . A 49 LYS HG2 . 34116 1 302 . 1 . 1 49 49 LYS HG3 H 1 1.535 . . . . . . . A 49 LYS HG3 . 34116 1 303 . 1 . 1 49 49 LYS HD2 H 1 1.646 . . . . . . . A 49 LYS HD2 . 34116 1 304 . 1 . 1 49 49 LYS HD3 H 1 1.646 . . . . . . . A 49 LYS HD3 . 34116 1 305 . 1 . 1 49 49 LYS HE2 H 1 3.014 . . . . . . . A 49 LYS HE2 . 34116 1 306 . 1 . 1 49 49 LYS HE3 H 1 3.014 . . . . . . . A 49 LYS HE3 . 34116 1 307 . 1 . 1 50 50 LYS H H 1 8.456 . . . . . . . A 50 LYS H . 34116 1 308 . 1 . 1 50 50 LYS HA H 1 4.118 . . . . . . . A 50 LYS HA . 34116 1 309 . 1 . 1 50 50 LYS HB2 H 1 2.029 . . . . . . . A 50 LYS HB2 . 34116 1 310 . 1 . 1 50 50 LYS HB3 H 1 1.906 . . . . . . . A 50 LYS HB3 . 34116 1 311 . 1 . 1 50 50 LYS HG2 H 1 1.745 . . . . . . . A 50 LYS HG2 . 34116 1 312 . 1 . 1 50 50 LYS HG3 H 1 1.521 . . . . . . . A 50 LYS HG3 . 34116 1 313 . 1 . 1 50 50 LYS HD2 H 1 1.841 . . . . . . . A 50 LYS HD2 . 34116 1 314 . 1 . 1 50 50 LYS HD3 H 1 1.841 . . . . . . . A 50 LYS HD3 . 34116 1 315 . 1 . 1 50 50 LYS HE2 H 1 3.151 . . . . . . . A 50 LYS HE2 . 34116 1 316 . 1 . 1 50 50 LYS HE3 H 1 3.151 . . . . . . . A 50 LYS HE3 . 34116 1 317 . 1 . 1 51 51 ARG H H 1 8.081 . . . . . . . A 51 ARG H . 34116 1 318 . 1 . 1 51 51 ARG HA H 1 4.346 . . . . . . . A 51 ARG HA . 34116 1 319 . 1 . 1 51 51 ARG HB2 H 1 1.898 . . . . . . . A 51 ARG HB2 . 34116 1 320 . 1 . 1 51 51 ARG HB3 H 1 1.898 . . . . . . . A 51 ARG HB3 . 34116 1 321 . 1 . 1 51 51 ARG HG2 H 1 1.723 . . . . . . . A 51 ARG HG2 . 34116 1 322 . 1 . 1 51 51 ARG HG3 H 1 1.810 . . . . . . . A 51 ARG HG3 . 34116 1 323 . 1 . 1 51 51 ARG HD2 H 1 3.244 . . . . . . . A 51 ARG HD2 . 34116 1 324 . 1 . 1 51 51 ARG HD3 H 1 3.244 . . . . . . . A 51 ARG HD3 . 34116 1 325 . 1 . 1 51 51 ARG HE H 1 7.226 . . . . . . . A 51 ARG HE . 34116 1 326 . 1 . 1 52 52 GLN H H 1 8.282 . . . . . . . A 52 GLN H . 34116 1 327 . 1 . 1 52 52 GLN HA H 1 4.286 . . . . . . . A 52 GLN HA . 34116 1 328 . 1 . 1 52 52 GLN HB2 H 1 2.079 . . . . . . . A 52 GLN HB2 . 34116 1 329 . 1 . 1 52 52 GLN HB3 H 1 2.146 . . . . . . . A 52 GLN HB3 . 34116 1 330 . 1 . 1 52 52 GLN HG2 H 1 2.412 . . . . . . . A 52 GLN HG2 . 34116 1 331 . 1 . 1 52 52 GLN HG3 H 1 2.412 . . . . . . . A 52 GLN HG3 . 34116 1 332 . 1 . 1 52 52 GLN HE21 H 1 6.700 . . . . . . . A 52 GLN HE21 . 34116 1 333 . 1 . 1 52 52 GLN HE22 H 1 7.386 . . . . . . . A 52 GLN HE22 . 34116 1 334 . 1 . 1 53 53 ARG H H 1 8.044 . . . . . . . A 53 ARG H . 34116 1 335 . 1 . 1 53 53 ARG HA H 1 4.348 . . . . . . . A 53 ARG HA . 34116 1 336 . 1 . 1 53 53 ARG HB2 H 1 1.899 . . . . . . . A 53 ARG HB2 . 34116 1 337 . 1 . 1 53 53 ARG HB3 H 1 1.899 . . . . . . . A 53 ARG HB3 . 34116 1 338 . 1 . 1 53 53 ARG HG2 H 1 1.799 . . . . . . . A 53 ARG HG2 . 34116 1 339 . 1 . 1 53 53 ARG HG3 H 1 1.728 . . . . . . . A 53 ARG HG3 . 34116 1 340 . 1 . 1 53 53 ARG HD2 H 1 3.246 . . . . . . . A 53 ARG HD2 . 34116 1 341 . 1 . 1 53 53 ARG HD3 H 1 3.246 . . . . . . . A 53 ARG HD3 . 34116 1 342 . 1 . 1 54 54 HIS H H 1 8.366 . . . . . . . A 54 HIS H . 34116 1 343 . 1 . 1 54 54 HIS HA H 1 4.762 . . . . . . . A 54 HIS HA . 34116 1 344 . 1 . 1 54 54 HIS HB2 H 1 3.243 . . . . . . . A 54 HIS HB2 . 34116 1 345 . 1 . 1 54 54 HIS HB3 H 1 3.365 . . . . . . . A 54 HIS HB3 . 34116 1 346 . 1 . 1 54 54 HIS HD2 H 1 7.326 . . . . . . . A 54 HIS HD2 . 34116 1 347 . 1 . 1 54 54 HIS HE1 H 1 8.557 . . . . . . . A 54 HIS HE1 . 34116 1 348 . 1 . 1 55 55 SER H H 1 8.243 . . . . . . . A 55 SER H . 34116 1 349 . 1 . 1 55 55 SER HA H 1 4.141 . . . . . . . A 55 SER HA . 34116 1 350 . 1 . 1 55 55 SER HB2 H 1 3.852 . . . . . . . A 55 SER HB2 . 34116 1 351 . 1 . 1 55 55 SER HB3 H 1 3.852 . . . . . . . A 55 SER HB3 . 34116 1 352 . 1 . 1 56 56 GLY H H 1 8.448 . . . . . . . A 56 GLY H . 34116 1 353 . 1 . 1 56 56 GLY HA2 H 1 4.047 . . . . . . . A 56 GLY HA2 . 34116 1 354 . 1 . 1 56 56 GLY HA3 H 1 4.047 . . . . . . . A 56 GLY HA3 . 34116 1 355 . 1 . 1 57 57 LEU H H 1 8.401 . . . . . . . A 57 LEU H . 34116 1 356 . 1 . 1 57 57 LEU HA H 1 4.511 . . . . . . . A 57 LEU HA . 34116 1 357 . 1 . 1 57 57 LEU HB2 H 1 1.663 . . . . . . . A 57 LEU HB2 . 34116 1 358 . 1 . 1 57 57 LEU HB3 H 1 1.663 . . . . . . . A 57 LEU HB3 . 34116 1 359 . 1 . 1 57 57 LEU HD11 H 1 0.900 . . . . . . . A 57 LEU HD11 . 34116 1 360 . 1 . 1 57 57 LEU HD12 H 1 0.900 . . . . . . . A 57 LEU HD12 . 34116 1 361 . 1 . 1 57 57 LEU HD13 H 1 0.900 . . . . . . . A 57 LEU HD13 . 34116 1 362 . 1 . 1 57 57 LEU HD21 H 1 0.941 . . . . . . . A 57 LEU HD21 . 34116 1 363 . 1 . 1 57 57 LEU HD22 H 1 0.941 . . . . . . . A 57 LEU HD22 . 34116 1 364 . 1 . 1 57 57 LEU HD23 H 1 0.941 . . . . . . . A 57 LEU HD23 . 34116 1 365 . 1 . 1 58 58 THR H H 1 8.015 . . . . . . . A 58 THR H . 34116 1 366 . 1 . 1 58 58 THR HA H 1 4.219 . . . . . . . A 58 THR HA . 34116 1 367 . 1 . 1 58 58 THR HB H 1 4.353 . . . . . . . A 58 THR HB . 34116 1 368 . 1 . 1 58 58 THR HG21 H 1 1.230 . . . . . . . A 58 THR HG21 . 34116 1 369 . 1 . 1 58 58 THR HG22 H 1 1.230 . . . . . . . A 58 THR HG22 . 34116 1 370 . 1 . 1 58 58 THR HG23 H 1 1.230 . . . . . . . A 58 THR HG23 . 34116 1 371 . 1 . 1 59 59 GLU H H 1 8.142 . . . . . . . A 59 GLU H . 34116 1 372 . 1 . 1 59 59 GLU HA H 1 4.267 . . . . . . . A 59 GLU HA . 34116 1 373 . 1 . 1 59 59 GLU HB2 H 1 2.167 . . . . . . . A 59 GLU HB2 . 34116 1 374 . 1 . 1 59 59 GLU HB3 H 1 2.167 . . . . . . . A 59 GLU HB3 . 34116 1 375 . 1 . 1 59 59 GLU HG2 H 1 2.439 . . . . . . . A 59 GLU HG2 . 34116 1 376 . 1 . 1 59 59 GLU HG3 H 1 2.439 . . . . . . . A 59 GLU HG3 . 34116 1 377 . 1 . 1 60 60 GLN H H 1 8.198 . . . . . . . A 60 GLN H . 34116 1 378 . 1 . 1 60 60 GLN HA H 1 4.333 . . . . . . . A 60 GLN HA . 34116 1 379 . 1 . 1 60 60 GLN HB2 H 1 2.057 . . . . . . . A 60 GLN HB2 . 34116 1 380 . 1 . 1 60 60 GLN HB3 H 1 2.138 . . . . . . . A 60 GLN HB3 . 34116 1 381 . 1 . 1 60 60 GLN HG2 H 1 2.395 . . . . . . . A 60 GLN HG2 . 34116 1 382 . 1 . 1 60 60 GLN HG3 H 1 2.395 . . . . . . . A 60 GLN HG3 . 34116 1 383 . 1 . 1 60 60 GLN HE21 H 1 7.346 . . . . . . . A 60 GLN HE21 . 34116 1 384 . 1 . 1 60 60 GLN HE22 H 1 6.630 . . . . . . . A 60 GLN HE22 . 34116 1 385 . 1 . 1 61 61 THR H H 1 7.911 . . . . . . . A 61 THR H . 34116 1 386 . 1 . 1 61 61 THR HA H 1 4.192 . . . . . . . A 61 THR HA . 34116 1 387 . 1 . 1 61 61 THR HB H 1 4.250 . . . . . . . A 61 THR HB . 34116 1 388 . 1 . 1 61 61 THR HG21 H 1 1.166 . . . . . . . A 61 THR HG21 . 34116 1 389 . 1 . 1 61 61 THR HG22 H 1 1.166 . . . . . . . A 61 THR HG22 . 34116 1 390 . 1 . 1 61 61 THR HG23 H 1 1.166 . . . . . . . A 61 THR HG23 . 34116 1 391 . 1 . 1 62 62 TYR H H 1 7.926 . . . . . . . A 62 TYR H . 34116 1 392 . 1 . 1 62 62 TYR HA H 1 4.565 . . . . . . . A 62 TYR HA . 34116 1 393 . 1 . 1 62 62 TYR HB2 H 1 3.013 . . . . . . . A 62 TYR HB2 . 34116 1 394 . 1 . 1 62 62 TYR HB3 H 1 3.118 . . . . . . . A 62 TYR HB3 . 34116 1 395 . 1 . 1 62 62 TYR HD1 H 1 7.129 . . . . . . . A 62 TYR HD1 . 34116 1 396 . 1 . 1 62 62 TYR HD2 H 1 7.129 . . . . . . . A 62 TYR HD2 . 34116 1 397 . 1 . 1 62 62 TYR HE1 H 1 6.829 . . . . . . . A 62 TYR HE1 . 34116 1 398 . 1 . 1 62 62 TYR HE2 H 1 6.829 . . . . . . . A 62 TYR HE2 . 34116 1 399 . 1 . 1 63 63 SER H H 1 7.881 . . . . . . . A 63 SER H . 34116 1 400 . 1 . 1 63 63 SER HA H 1 4.421 . . . . . . . A 63 SER HA . 34116 1 401 . 1 . 1 63 63 SER HB2 H 1 3.861 . . . . . . . A 63 SER HB2 . 34116 1 402 . 1 . 1 63 63 SER HB3 H 1 3.904 . . . . . . . A 63 SER HB3 . 34116 1 403 . 1 . 1 64 64 ALA H H 1 7.856 . . . . . . . A 64 ALA H . 34116 1 404 . 1 . 1 64 64 ALA HA H 1 4.379 . . . . . . . A 64 ALA HA . 34116 1 405 . 1 . 1 64 64 ALA HB1 H 1 1.431 . . . . . . . A 64 ALA HB1 . 34116 1 406 . 1 . 1 64 64 ALA HB2 H 1 1.431 . . . . . . . A 64 ALA HB2 . 34116 1 407 . 1 . 1 64 64 ALA HB3 H 1 1.431 . . . . . . . A 64 ALA HB3 . 34116 1 408 . 1 . 1 65 65 LEU H H 1 7.669 . . . . . . . A 65 LEU H . 34116 1 409 . 1 . 1 65 65 LEU HA H 1 4.631 . . . . . . . A 65 LEU HA . 34116 1 410 . 1 . 1 65 65 LEU HB2 H 1 1.593 . . . . . . . A 65 LEU HB2 . 34116 1 411 . 1 . 1 65 65 LEU HB3 H 1 1.600 . . . . . . . A 65 LEU HB3 . 34116 1 412 . 1 . 1 65 65 LEU HG H 1 1.736 . . . . . . . A 65 LEU HG . 34116 1 413 . 1 . 1 65 65 LEU HD11 H 1 0.943 . . . . . . . A 65 LEU HD11 . 34116 1 414 . 1 . 1 65 65 LEU HD12 H 1 0.943 . . . . . . . A 65 LEU HD12 . 34116 1 415 . 1 . 1 65 65 LEU HD13 H 1 0.943 . . . . . . . A 65 LEU HD13 . 34116 1 416 . 1 . 1 65 65 LEU HD21 H 1 0.939 . . . . . . . A 65 LEU HD21 . 34116 1 417 . 1 . 1 65 65 LEU HD22 H 1 0.939 . . . . . . . A 65 LEU HD22 . 34116 1 418 . 1 . 1 65 65 LEU HD23 H 1 0.939 . . . . . . . A 65 LEU HD23 . 34116 1 419 . 1 . 1 66 66 PRO HA H 1 4.452 . . . . . . . A 66 PRO HA . 34116 1 420 . 1 . 1 66 66 PRO HB2 H 1 2.235 . . . . . . . A 66 PRO HB2 . 34116 1 421 . 1 . 1 66 66 PRO HB3 H 1 2.235 . . . . . . . A 66 PRO HB3 . 34116 1 422 . 1 . 1 66 66 PRO HG2 H 1 2.038 . . . . . . . A 66 PRO HG2 . 34116 1 423 . 1 . 1 66 66 PRO HG3 H 1 1.943 . . . . . . . A 66 PRO HG3 . 34116 1 424 . 1 . 1 66 66 PRO HD2 H 1 3.817 . . . . . . . A 66 PRO HD2 . 34116 1 425 . 1 . 1 66 66 PRO HD3 H 1 3.605 . . . . . . . A 66 PRO HD3 . 34116 1 426 . 1 . 1 67 67 GLU H H 1 7.987 . . . . . . . A 67 GLU H . 34116 1 427 . 1 . 1 67 67 GLU HA H 1 4.679 . . . . . . . A 67 GLU HA . 34116 1 428 . 1 . 1 67 67 GLU HB2 H 1 2.101 . . . . . . . A 67 GLU HB2 . 34116 1 429 . 1 . 1 67 67 GLU HB3 H 1 1.936 . . . . . . . A 67 GLU HB3 . 34116 1 430 . 1 . 1 67 67 GLU HG2 H 1 2.431 . . . . . . . A 67 GLU HG2 . 34116 1 431 . 1 . 1 67 67 GLU HG3 H 1 2.431 . . . . . . . A 67 GLU HG3 . 34116 1 432 . 1 . 1 68 68 PRO HA H 1 4.442 . . . . . . . A 68 PRO HA . 34116 1 433 . 1 . 1 68 68 PRO HB2 H 1 2.275 . . . . . . . A 68 PRO HB2 . 34116 1 434 . 1 . 1 68 68 PRO HB3 H 1 2.275 . . . . . . . A 68 PRO HB3 . 34116 1 435 . 1 . 1 68 68 PRO HG2 H 1 2.076 . . . . . . . A 68 PRO HG2 . 34116 1 436 . 1 . 1 68 68 PRO HG3 H 1 1.997 . . . . . . . A 68 PRO HG3 . 34116 1 437 . 1 . 1 68 68 PRO HD2 H 1 3.779 . . . . . . . A 68 PRO HD2 . 34116 1 438 . 1 . 1 68 68 PRO HD3 H 1 3.713 . . . . . . . A 68 PRO HD3 . 34116 1 439 . 1 . 1 69 69 LYS H H 1 8.003 . . . . . . . A 69 LYS H . 34116 1 440 . 1 . 1 69 69 LYS HA H 1 4.410 . . . . . . . A 69 LYS HA . 34116 1 441 . 1 . 1 69 69 LYS HB2 H 1 1.911 . . . . . . . A 69 LYS HB2 . 34116 1 442 . 1 . 1 69 69 LYS HB3 H 1 1.740 . . . . . . . A 69 LYS HB3 . 34116 1 443 . 1 . 1 69 69 LYS HG2 H 1 1.495 . . . . . . . A 69 LYS HG2 . 34116 1 444 . 1 . 1 69 69 LYS HG3 H 1 1.495 . . . . . . . A 69 LYS HG3 . 34116 1 445 . 1 . 1 69 69 LYS HE2 H 1 3.043 . . . . . . . A 69 LYS HE2 . 34116 1 446 . 1 . 1 69 69 LYS HE3 H 1 3.043 . . . . . . . A 69 LYS HE3 . 34116 1 447 . 1 . 1 70 70 ALA H H 1 8.140 . . . . . . . A 70 ALA H . 34116 1 448 . 1 . 1 70 70 ALA HA H 1 4.445 . . . . . . . A 70 ALA HA . 34116 1 449 . 1 . 1 70 70 ALA HB1 H 1 1.450 . . . . . . . A 70 ALA HB1 . 34116 1 450 . 1 . 1 70 70 ALA HB2 H 1 1.450 . . . . . . . A 70 ALA HB2 . 34116 1 451 . 1 . 1 70 70 ALA HB3 H 1 1.450 . . . . . . . A 70 ALA HB3 . 34116 1 452 . 1 . 1 71 71 THR H H 1 7.557 . . . . . . . A 71 THR H . 34116 1 453 . 1 . 1 71 71 THR HA H 1 4.235 . . . . . . . A 71 THR HA . 34116 1 454 . 1 . 1 71 71 THR HB H 1 4.301 . . . . . . . A 71 THR HB . 34116 1 455 . 1 . 1 71 71 THR HG21 H 1 1.199 . . . . . . . A 71 THR HG21 . 34116 1 456 . 1 . 1 71 71 THR HG22 H 1 1.199 . . . . . . . A 71 THR HG22 . 34116 1 457 . 1 . 1 71 71 THR HG23 H 1 1.199 . . . . . . . A 71 THR HG23 . 34116 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 34116 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'CNS has been used with Aria' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 Height Volume D38HN-D38HB3 8.154 2.884 5.26E+05 4.17E+06 bx D38HN-D38HB2 8.157 2.663 3.15E+05 2.50E+06 bx D38HN-D38HA 8.155 4.469 4.16E+05 4.32E+06 bx D38HB3-D38HB2 2.880 2.667 5.00E+05 4.57E+06 bx D38HN-L37HA 8.156 4.128 5.00E+05 1.86E+06 -- F39HN-F39HA 8.328 4.343 7.78E+05 6.22E+06 bx F39HN-F39HB2 8.327 3.124 4.30E+05 3.37E+06 -- F39HN-F39HB3 8.327 2.884 6.98E+05 5.58E+06 bx F39HN-D38HB2 8.328 2.668 3.62E+05 3.10E+06 bx E34HN-L33HA 8.332 4.133 2.68E+05 1.98E+06 bx F39HN-D38HN 8.326 8.148 3.39E+05 2.38E+06 bx F39QD-F39HB3 7.197 2.884 4.43E+05 4.43E+06 bx F39QD-F39HB2 7.197 3.121 4.24E+05 3.98E+06 bx F39HB2-F39HB3 3.124 2.885 9.93E+05 8.22E+06 bx F39QD-F39HA 7.195 4.340 6.73E+05 6.19E+06 bx F35QD-F35HB2 7.165 2.983 1.25E+06 8.37E+06 bx F35QD-F35HB3 7.163 3.239 1.21E+06 8.36E+06 bx F35HN-F35HB2 8.266 2.983 5.05E+05 4.12E+06 bx F35HN-F35HB3 8.269 3.245 5.30E+05 3.57E+06 bx L36HN-F35HB2 8.620 2.981 2.40E+05 1.76E+06 bx L36HN-F35HB3 8.618 3.242 2.51E+05 1.75E+06 bx F35HB2-F35HB3 2.981 3.241 5.49E+05 5.29E+06 bx L36HN-L36HB3 8.619 1.983 5.14E+05 4.69E+06 bx L36HN-L36HG 8.621 1.628 2.60E+05 1.61E+06 bx L36HN-L36HA 8.621 4.059 3.96E+05 2.34E+06 bx L36HA-L36HG 4.052 1.650 3.99E+05 3.31E+06 bx L36HA-L36HB3 4.055 1.980 5.87E+05 5.24E+06 bx L36HN-F35HN 8.624 8.267 4.03E+05 2.39E+06 bx L36HA-F39HB2 4.056 3.128 3.56E+05 2.50E+06 bx F35QD-F35HA 7.165 4.252 1.28E+06 8.61E+06 bx F35HN-F35HA 8.269 4.250 9.61E+05 7.40E+06 bx L36HN-F35HA 8.620 4.250 2.53E+05 1.51E+06 bx F39HN-L36HA 8.335 4.053 1.21E+05 1.19E+06 bx L37HN-L36HB3 8.566 1.978 9.62E+05 8.03E+06 bx L37HA-L37QD2 4.129 0.880 1.12E+06 4.80E+06 -- L37HN-L32QQD 8.566 0.880 8.15E+05 6.46E+06 bx L37HN-L32QQD 8.565 0.939 8.42E+05 3.06E+06 -- L37QB-L37QD2 1.874 0.881 1.53E+06 1.26E+07 bx L37HN-L37HG 8.561 1.519 2.57E+05 1.64E+06 bx L37HN-L37QB 8.566 1.874 7.41E+05 5.38E+06 bx L32HN-F31HB3 8.569 3.286 2.70E+05 2.04E+06 bx L32HN-F31HB2 8.568 3.399 3.43E+05 2.78E+06 bx F31HN-F31HB3 7.815 3.284 6.35E+05 4.52E+06 -- F31HN-F31HB2 7.809 3.397 6.21E+05 4.86E+06 bx F31HN-F31HA 7.807 4.370 6.27E+05 5.29E+06 bx F31HB2-F31HA 3.398 4.376 6.42E+05 4.53E+06 bx F31HB3-F31HA 3.287 4.372 7.07E+05 5.85E+06 bx F31HB3-F31HB2 3.292 3.397 1.11E+06 8.76E+06 bx L33HN-I30HA 8.567 3.810 2.52E+05 2.02E+06 bx L32HN-F31HA 8.568 4.377 3.37E+05 2.03E+06 bx L32HN-F31HN 8.559 7.805 3.60E+05 3.15E+06 bx L37HN-D38HN 8.571 8.151 3.90E+05 2.50E+06 bx L37HN-F35HN 8.568 8.269 2.45E+05 1.79E+06 bx L37HN-E34HN 8.577 8.328 4.84E+05 2.90E+06 bx L32HN-L32HG 8.561 1.661 4.61E+05 2.10E+06 -- I30HN-I30HA 7.934 3.811 4.52E+05 3.57E+06 bx F31HN-I30HA 7.807 3.816 1.55E+05 1.47E+06 bx I30HA-I30QD1 3.811 0.880 6.27E+05 5.35E+06 bx I30HA-I30HG13 3.814 1.295 3.07E+05 2.74E+06 bx P66HD2-P66HG3 3.814 1.947 4.54E+05 4.20E+06 bx L37HN-L37HA 8.565 4.131 1.51E+06 5.19E+06 -- W18HE3-W18HZ3 7.636 7.135 8.21E+05 9.78E+06 bx W18HZ2-W18HH2 7.472 7.213 2.01E+06 1.76E+07 bx W18HH2-W18HZ3 7.216 7.129 1.84E+06 1.20E+07 bx F31HB2-I28HA 3.401 3.894 2.66E+05 2.23E+06 bx F31HB3-I28HA 3.294 3.888 4.86E+05 3.70E+06 bx I28HN-I28HA 7.858 3.862 3.59E+05 2.53E+06 bx I28HA-I28QD1 3.886 0.867 3.97E+05 3.16E+06 bx I28HA-I28QG2 3.883 0.993 1.45E+06 1.18E+07 bx I28HA-I28QG1 3.887 1.194 4.70E+05 4.19E+06 bx I28HA-I28HB 3.888 2.038 3.38E+05 2.81E+06 bx I28HN-I28QD1 7.869 0.875 3.45E+05 2.33E+06 bx I28HN-I28QG2 7.859 0.989 8.08E+05 2.08E+06 -- I28HN-I28HB 7.855 2.032 6.74E+05 5.47E+06 -- I28HN-I28QG1 7.856 1.189 2.41E+05 1.69E+06 bx C40HB3-C40HB2 3.079 2.982 1.38E+06 1.24E+07 bx C40HN-C40HB3 8.372 3.094 3.75E+05 2.88E+06 bx C40HN-F39HB2 8.367 3.122 4.04E+05 2.58E+06 -- C40HN-C40HB2 8.370 2.981 2.62E+05 1.98E+06 bx C40HN-F39HA 8.366 4.342 7.77E+05 1.52E+06 -- C40HN-C40HA 8.367 4.330 8.61E+05 7.17E+06 bx C40HN-L37HA 8.366 4.127 1.77E+05 1.02E+06 bx C40HN-F39HB3 8.366 2.885 2.12E+05 1.85E+06 -- Q26HE21-Q26HG2 6.622 2.382 2.21E+05 1.58E+06 bx Q26HE21-Q26HG3 6.624 2.551 3.16E+05 1.79E+06 bx Q26HE22-Q26HG2 6.916 2.380 1.84E+05 1.37E+06 bx Q26HE22-Q26HG3 6.914 2.554 1.70E+05 1.13E+06 bx Q26HN-Q26HG2 8.056 2.396 5.85E+04 9.08E+05 bx Q26HN-Q26HG3 8.061 2.540 2.78E+05 3.29E+06 -- Q26HG3-Q26HG2 2.540 2.378 9.21E+05 8.11E+06 bx Q26HG3-Q26HA 2.548 4.026 2.17E+05 1.48E+06 bx Q26HG2-Q26HA 2.378 4.026 1.97E+05 2.20E+06 bx Q26HN-Q26HA 8.063 4.028 6.92E+05 5.81E+06 bx Q26HN-R27HN 8.061 7.739 4.68E+05 3.60E+06 bx R27HN-Q26HA 7.736 4.033 2.25E+05 2.03E+06 bx R27HN-R27HB2 7.739 2.023 1.06E+06 7.70E+06 bx R27HN-R27HB3 7.740 1.825 2.23E+05 1.71E+06 bx R27HN-R27HG2 7.743 1.734 2.47E+05 1.67E+06 bx R27HN-R27HA 7.740 4.073 7.43E+05 5.96E+06 bx R27HA-R27HB2 4.074 2.024 7.98E+05 6.27E+06 bx R27HA-R27HB3 4.074 1.832 2.84E+05 2.84E+06 bx R27HA-R27HG2 4.074 1.738 2.96E+05 2.08E+06 bx R27QD-R27HB2 3.225 2.024 4.17E+05 3.57E+06 bx R27QD-R27HB3 3.224 1.828 1.05E+06 8.59E+06 bx R27QD-R27HG2 3.223 1.739 7.28E+05 5.81E+06 bx R27HE-R27HG2 7.277 1.738 2.80E+05 1.64E+06 bx Q26HE22-Q26HE21 6.914 6.616 4.97E+06 3.59E+07 bx A25QB-A25HA 1.511 4.114 2.17E+06 1.80E+07 bx A25HN-A25QB 8.149 1.511 1.39E+06 1.05E+07 bx V12HN-S11HA 7.864 4.276 2.14E+05 1.62E+06 bx Q26HB2-Q26HA 2.181 4.029 3.93E+05 3.69E+06 bx Q26HG3-Q26HB2 2.539 2.185 1.66E+05 1.32E+06 bx Q26HN-Q26HB2 8.060 2.176 4.78E+05 3.37E+06 -- Q26HN-Q26HB3 8.059 2.255 5.11E+05 1.92E+06 -- Q26HG3-Q26HB3 2.537 2.258 1.75E+05 1.64E+06 bx Q26HB3-Q26HA 2.259 4.028 3.12E+05 2.96E+06 bx T41HN-T41QG2 7.871 1.296 4.26E+05 2.08E+06 -- C40HN-T41HN 8.366 7.871 4.61E+05 3.53E+06 bx Y62QD-Y62QE 7.126 6.828 6.26E+06 3.65E+07 bx Y62QD-Y62HA 7.129 4.568 1.47E+05 2.96E+06 bx Y62QD-Y62HB2 7.129 3.014 2.36E+05 3.85E+06 bx Y62QD-Y62HB3 7.133 3.117 5.56E+05 3.75E+06 bx Y62HN-Y62HB2 7.925 3.016 6.51E+05 5.35E+06 bx Y62HN-Y62HB3 7.923 3.124 4.97E+05 3.03E+06 -- Y62HB3-Y62HB2 3.121 3.004 8.97E+05 9.71E+06 bx Y62HB3-Y62HA 3.117 4.564 3.26E+05 3.75E+06 bx Y62HB2-Y62HA 3.015 4.563 3.67E+05 2.83E+06 bx Y62HN-Y62HA 7.928 4.564 6.44E+05 4.94E+06 bx S63HN-Y62HB2 7.885 3.018 1.70E+05 1.37E+06 -- S63HN-Y62HA 7.887 4.564 1.08E+06 7.83E+06 bx S63HB2-S63HA 3.862 4.423 3.33E+05 2.76E+06 bx S63HB3-S63HA 3.902 4.420 6.52E+05 -3.81E+06 bx S63HN-S63HA 7.887 4.420 4.80E+05 3.65E+06 bx S63HN-S63HB3 7.886 3.902 3.12E+05 2.64E+06 bx S63HN-S63HB2 7.883 3.854 2.47E+05 2.09E+06 -- A64HN-S63HA 7.858 4.424 6.21E+05 4.12E+06 -- A64HN-A64QB 7.857 1.428 1.01E+06 7.50E+06 bx A64QB-A64HA 1.433 4.379 1.37E+06 1.13E+07 bx A64HN-A64HA 7.857 4.378 3.68E+05 4.18E+06 bx L65HN-A64QB 7.670 1.432 3.30E+05 3.00E+06 -- L65HN-A64HA 7.675 4.376 6.90E+05 4.12E+06 -- A64HN-L65HN 7.853 7.669 5.78E+05 4.48E+06 bx L65HN-L65HB2 7.669 1.652 2.89E+05 1.69E+06 bx L65HN-L65HB3 7.664 1.559 5.23E+05 1.69E+06 bx L65HN-L65HG 7.669 1.751 2.13E+05 1.69E+06 bx L65HG-L65QD1 1.732 0.938 8.12E+05 7.80E+06 bx L65HB3-L65QD1 1.653 0.945 1.23E+06 1.14E+07 bx L65HB2-L65QD1 1.559 0.945 8.75E+04 1.18E+06 bx L65HB2-L65HG 1.552 1.734 2.16E+06 2.17E+07 bx L65QD1-L65HA 0.935 4.621 5.09E+05 4.08E+06 -- L65HB2-L65HA 1.644 4.637 1.03E+05 1.81E+06 bx L65HB3-L65HA 1.560 4.633 1.23E+05 1.22E+06 bx L65HN-L65HA 7.673 4.633 3.51E+05 3.09E+06 bx P66HD2-L65HA 3.819 4.628 4.99E+05 5.39E+06 bx P66HD3-L65HA 3.602 4.625 4.44E+05 4.09E+06 bx P66HD2-P66HD3 3.813 3.604 3.37E+06 2.54E+07 bx P66HD3-P66HG2 3.603 2.041 4.40E+05 3.46E+06 bx P66HD3-P66HG3 3.610 1.938 2.09E+05 1.31E+06 bx P66HD2-P66HG2 3.819 2.036 6.05E+05 4.85E+06 bx P66QB-P66HG3 2.236 1.944 7.96E+05 8.39E+06 bx P66QB-P66HA 2.235 4.455 5.27E+05 4.08E+06 bx P66HG3-P66HA 1.944 4.443 3.09E+05 2.52E+06 bx E67HN-E67HA 7.983 4.678 1.03E+05 1.94E+06 bx E67HN-P66HA 7.989 4.455 2.47E+06 5.92E+06 -- E67HN-E67QG 7.991 2.432 1.99E+05 1.27E+06 bx P68HD2-E67HA 3.774 4.680 8.79E+05 5.67E+06 bx P68HD3-E67HA 3.709 4.679 3.41E+05 4.46E+06 bx E67QG-E67HB3 2.431 1.935 9.91E+05 5.99E+06 bx E67HB2-E67HB3 2.101 1.939 1.93E+06 1.58E+07 bx P68HD2-P68HD3 3.779 3.708 1.78E+06 1.73E+07 bx P68HD3-P68HG2 3.712 2.074 5.74E+05 3.13E+06 bx P68HD3-P68HG3 3.722 1.997 2.92E+05 1.76E+06 bx P68HD2-P68HG2 3.783 2.075 2.30E+05 2.06E+06 bx P68QB-P68HG2 2.270 2.078 9.31E+05 7.37E+06 bx P68HG2-P68HG3 2.076 1.995 4.90E+05 1.66E+07 bx P68QB-P68HA 2.277 4.446 2.27E+05 1.42E+06 bx K69HN-P68HA 8.001 4.440 1.41E+06 1.48E+07 bx K69HN-K69QG 8.001 1.495 7.47E+05 6.04E+06 bx K69HN-K69HB2 8.006 1.899 6.46E+05 4.13E+06 -- K69HB2-K69QG 1.914 1.495 4.99E+05 4.44E+06 bx K69HB2-K69HB3 1.910 1.741 7.38E+05 6.22E+06 bx K69HB2-K69HA 1.909 4.414 2.26E+05 1.81E+06 bx A70HN-K69HN 8.144 8.003 4.66E+05 3.83E+06 bx A70HN-K69HA 8.140 4.414 8.20E+05 3.27E+06 -- A70HN-K69QG 8.130 1.490 5.94E+05 2.24E+06 bx A70HN-A70QB 8.139 1.447 2.40E+05 2.13E+06 bx A70HN-T71HN 8.140 7.555 2.22E+05 1.60E+06 bx T71HN-A70HA 7.558 4.445 1.34E+05 1.70E+06 -- T71HN-T71HA 7.557 4.233 3.81E+05 2.21E+06 bx T61HA-T61QG2 4.200 1.169 5.14E+05 4.14E+06 bx T61HB-T61QG2 4.245 1.172 2.35E+05 2.13E+06 bx T61HN-T61HB 7.910 4.252 2.08E+05 3.28E+06 -- Y62HN-T61HA 7.927 4.190 5.50E+05 3.27E+06 -- T61HN-T61QG2 7.913 1.166 5.09E+05 2.08E+06 -- Y62HN-T61QG2 7.928 1.165 2.26E+05 2.66E+06 bx H54HD2-H54HB2 7.327 3.227 3.91E+05 2.53E+06 bx H54HD2-H54HB3 7.326 3.361 2.65E+05 1.91E+06 bx H54HN-H54HA 8.366 4.757 2.53E+05 1.94E+06 bx H54HB3-H54HA 3.357 4.761 3.46E+05 2.85E+06 bx H54HB2-H54HA 3.250 4.764 1.56E+05 1.69E+06 bx H54HB3-H54HB2 3.364 3.238 1.74E+06 1.40E+07 bx H54HD2-H54HA 7.324 4.764 2.29E+05 1.24E+06 bx H54HN-H54HB2 8.366 3.251 2.01E+05 1.32E+06 bx H54HN-H54HB3 8.370 3.372 1.56E+05 1.10E+06 bx S55HN-H54HA 8.238 4.762 4.82E+05 3.55E+06 -- T17HN-T17QG2 7.911 1.243 4.68E+05 2.08E+06 -- T17HB-T17QG2 4.217 1.235 3.36E+05 2.65E+06 bx T17HA-T17QG2 4.351 1.235 2.34E+05 2.17E+06 -- K13HN-K13HA 7.912 4.331 1.70E+06 3.23E+06 -- T17HN-T17HB 7.910 4.212 4.11E+05 3.45E+06 -- S19HN-T17HN 8.270 7.910 2.75E+05 3.03E+06 bx H54HN-S55HN 8.365 8.245 1.75E+05 9.35E+05 bx G56HN-G56QA 8.447 4.048 4.22E+05 2.41E+06 bx D44HB3-D44HA 2.763 4.692 5.10E+05 4.07E+06 bx D44HN-D44HA 8.268 4.691 5.19E+05 4.09E+06 bx D44HN-D44HB3 8.271 2.750 2.83E+05 2.22E+06 bx S45HN-D44HA 8.073 4.693 4.21E+05 3.77E+06 bx S45HN-D44HB3 8.077 2.755 1.10E+05 9.09E+05 bx S45HN-S45HA 8.076 4.507 6.24E+05 5.54E+06 bx V46HN-S45HA 8.034 4.504 1.19E+06 9.53E+06 bx V46HN-V46QQG 8.047 1.000 5.30E+05 4.09E+06 bx V46HA-V46QQG 4.057 1.006 5.54E+05 3.85E+06 bx V46HN-V46HA 8.045 4.064 8.23E+05 6.82E+06 bx D47QB-D47HA 2.775 4.627 1.05E+06 7.96E+06 bx D47HN-D47QB 8.172 2.779 6.00E+05 4.83E+06 bx D47HN-V46QQG 8.175 1.002 3.57E+05 2.56E+06 bx D47HN-V46HA 8.170 4.061 4.76E+05 3.77E+06 bx D47HN-D47HA 8.174 4.624 3.97E+05 3.36E+06 bx D47HN-V46HN 8.171 8.047 2.14E+05 1.96E+06 -- G48HN-D47QB 8.207 2.782 2.95E+05 2.19E+06 bx G48HN-D47HA 8.208 4.625 4.47E+05 3.27E+06 -- G48HN-G48HA1 8.204 3.925 4.42E+05 3.23E+06 bx G48HN-G48HA2 8.207 4.002 5.68E+05 4.17E+06 bx G42HN-G42HA1 8.218 3.916 1.06E+05 1.38E+06 bx G42HN-G42HA2 8.220 3.997 2.38E+05 2.24E+06 bx G42HN-T41HN 8.221 7.872 1.22E+05 6.97E+05 bx T41HN-T41HB 7.881 4.363 5.73E+05 2.95E+06 bx T41QG2-T41HB 1.294 4.362 3.97E+06 3.00E+07 bx T21QG2-T21HA 1.296 4.323 1.36E+06 3.55E+06 -- A10HN-S7HA 8.215 4.377 6.50E+05 3.28E+06 bx V46QQG-V46HA 1.005 4.062 4.10E+05 3.38E+06 bx V46HB-V46HA 2.188 4.059 1.87E+05 1.62E+06 bx T21HN-G20QA 7.971 3.963 5.26E+05 4.40E+06 bx E34HN-E34HA 8.334 3.963 7.04E+05 5.33E+06 bx A10HN-A10QB 8.211 1.496 1.09E+06 8.27E+06 bx A10HN-K9QB 8.211 1.932 4.98E+05 1.79E+06 -- A10HN-A10HA 8.213 4.211 5.54E+05 4.01E+06 bx V2HN-V2HA 8.660 4.686 4.23E+05 3.54E+06 bx V2HN-M1HA 8.660 4.153 3.86E+05 2.73E+06 bx D38HB2-D38HA 2.672 4.466 1.41E+05 1.76E+06 bx D38HB3-D38HA 2.886 4.470 1.10E+05 1.24E+06 bx D38HB3-F35HA 2.870 4.251 1.71E+05 1.26E+06 bx T58HN-T58QG2 8.015 1.230 3.57E+05 2.08E+06 -- E59HN-T58HN 8.143 8.016 6.45E+05 4.59E+06 bx E59HN-E59QB 8.138 2.172 8.19E+05 5.58E+06 bx E59HN-E59QG 8.142 2.441 3.01E+05 1.97E+06 -- E59HN-E59HA 8.143 4.268 8.97E+05 7.46E+06 bx E59QG-E59HA 2.437 4.263 2.88E+05 3.11E+06 bx E59QB-E59HA 2.166 4.268 6.96E+05 6.72E+06 bx L32HN-L32HA 8.566 4.109 1.04E+06 7.93E+06 bx F35HN-L32HA 8.268 4.113 2.57E+05 2.14E+06 bx F35HB2-L32HA 2.984 4.108 2.27E+05 2.36E+06 -- F35HB3-L32HA 3.230 4.105 5.14E+05 4.58E+06 bx D44HN-S45HN 8.271 8.080 3.53E+05 1.90E+06 bx S19HN-S19HA 8.266 4.223 5.99E+05 4.87E+06 bx V14HN-V14QG2 8.274 0.913 2.65E+05 2.08E+06 -- D44HN-E43HB2 8.269 2.135 6.09E+05 4.82E+06 bx V14HB-V14QG2 2.140 0.912 5.39E+05 5.13E+06 bx V14HB-V14QG1 2.139 1.042 3.96E+05 3.83E+06 bx V14QG1-V14QG2 1.053 0.909 1.04E+06 6.17E+06 bx F31HN-I28HA 7.809 3.886 2.38E+05 2.02E+06 -- S11HN-S11HA 8.007 4.278 1.17E+06 9.26E+06 bx S11HN-S11HB2 8.009 4.085 3.66E+05 1.40E+06 bx S11HN-S11HB3 8.010 4.001 5.35E+05 5.57E+06 bx S11HN-A10HA 8.005 4.213 7.99E+05 1.86E+06 -- S11HN-A10HN 8.003 8.207 2.90E+05 1.42E+06 bx S11HN-A10QB 8.009 1.496 8.13E+05 3.00E+06 -- V12HN-V12QG1 7.867 1.088 8.19E+05 6.07E+06 bx V12HN-V12QG2 7.866 0.985 7.06E+05 2.08E+06 -- V12HN-V12HB 7.864 2.231 6.33E+05 4.84E+06 -- K13HN-V12QG1 7.910 1.089 3.38E+05 1.83E+06 bx K13HN-V12QG2 7.912 0.990 2.18E+05 1.82E+06 bx K13HN-V12HB 7.913 2.229 3.85E+05 1.86E+06 -- K9HN-A10HN 8.037 8.208 2.91E+05 2.16E+06 bx A10HN-K9HA 8.212 4.141 2.31E+05 1.56E+06 bx K9HN-K9HA 8.033 4.143 5.07E+05 3.82E+06 bx K9HN-K9QG 8.037 1.501 6.70E+05 5.45E+06 bx K9HN-K9QD 8.034 1.627 1.43E+05 1.34E+06 bx K9HA-K9QG 4.146 1.500 4.25E+05 3.49E+06 bx K9HA-K9QB 4.144 1.939 8.65E+05 7.63E+06 bx K9QE-K9QG 3.011 1.500 2.19E+05 1.94E+06 bx K9QE-K9QD 3.012 1.623 1.04E+05 1.55E+06 bx K9QE-K9QB 3.009 1.938 2.71E+05 2.04E+06 bx K9QB-K9QD 1.941 1.633 9.93E+05 8.41E+06 bx K9QB-K9QG 1.941 1.502 8.20E+05 6.65E+06 bx A10HN-S11HN 8.212 8.010 2.97E+05 2.50E+06 bx A10HN-K9HN 8.214 8.034 4.18E+05 2.53E+06 -- K13HN-K13QG 7.907 1.509 2.90E+05 1.62E+06 bx K13HN-K13HB2 7.915 1.675 3.83E+05 2.60E+06 bx K13HN-K13HB3 7.910 1.745 2.56E+05 2.59E+06 bx K13QE-K13QG 3.033 1.503 3.29E+05 2.91E+06 bx R27HN-I28HN 7.738 7.857 4.91E+05 3.20E+06 bx W18HN-W18HA 8.451 4.673 8.26E+06 5.19E+06 -- S19HN-W18HA 8.262 4.672 5.86E+05 3.27E+06 -- W18HN-W18QB 8.451 3.421 5.05E+05 4.31E+06 bx W18HN-T17HA 8.451 4.358 5.28E+05 3.77E+06 bx L32HA-F35HB3 4.105 3.237 3.53E+05 3.39E+06 bx L32HA-F35HB2 4.106 2.982 2.39E+05 1.50E+06 bx A10HA-A10QB 4.215 1.497 3.46E+05 2.92E+06 bx S11HN-V12HN 8.005 7.855 3.05E+05 2.39E+06 bx V12HA-V12QG1 3.884 1.087 7.02E+05 5.98E+06 -- V12HA-V12QG2 3.883 0.984 1.18E+06 9.33E+06 bx V12HB-V12QG1 2.228 1.090 5.72E+05 4.38E+06 bx V12HB-V12QG2 2.231 0.990 4.91E+05 4.26E+06 bx V12QG1-V12HB 1.089 2.232 9.40E+05 7.84E+06 bx V12QG2-V12HB 0.996 2.228 1.10E+06 8.01E+06 bx V12QG2-V12HA 0.992 3.884 1.58E+06 1.31E+07 bx K13HN-V12HA 7.909 3.881 2.80E+05 2.10E+06 bx V12QG1-V12QG2 1.093 0.990 4.39E+05 1.78E+06 bx I30HN-I30QD1 7.933 0.870 2.58E+05 1.85E+06 bx I30HN-I30QG2 7.935 0.939 5.35E+05 2.08E+06 -- I30HN-I30HB 7.933 1.958 7.68E+05 5.47E+06 -- F31HN-I30HB 7.808 1.951 3.19E+05 2.04E+06 bx F31HN-I30QG2 7.809 0.938 3.35E+05 2.59E+06 bx F31HN-I30HN 7.810 7.935 2.17E+05 2.21E+06 bx F31HN-I30QD1 7.810 0.871 1.47E+05 9.22E+05 bx I28QD1-I28HA 0.874 3.889 3.85E+05 2.97E+06 bx I28QG1-I28HA 1.193 3.884 4.17E+05 2.61E+06 bx I30HB-I30HA 1.961 3.810 2.74E+05 2.61E+06 bx I30QD1-I30HA 0.865 3.811 6.08E+05 3.88E+06 bx I30QG2-I30HA 0.951 3.813 1.22E+06 3.66E+06 bx I28QG2-I28QD1 0.993 0.874 1.59E+06 9.56E+06 bx I28QG2-I28QG1 0.991 1.195 3.92E+05 1.11E+06 bx I28QD1-I28QG1 0.876 1.187 6.59E+05 4.42E+06 -- I28QD1-I28HB 0.878 2.034 6.38E+05 5.49E+06 bx I28QG2-I28HB 0.994 2.034 1.40E+06 1.22E+07 bx L29HN-I28HN 7.981 7.862 3.41E+05 1.94E+06 bx L29HN-I28HA 7.982 3.885 2.16E+05 1.22E+06 bx L29HN-I28HB 7.975 2.034 3.45E+05 2.32E+06 bx L29HN-L29QD2 7.977 0.937 4.54E+05 3.06E+06 bx L29HN-I28QG2 7.978 0.991 2.48E+05 2.15E+06 bx L6HN-L6QD2 8.363 0.938 1.79E+05 9.53E+05 bx L6HN-L6HG 8.359 1.623 2.75E+05 1.26E+06 bx Q5HN-Q5HB2 8.178 2.026 1.76E+05 1.68E+06 bx L36HN-F35QD 8.624 7.165 2.57E+05 1.77E+06 bx C40HN-F39QD 8.364 7.196 1.82E+05 1.31E+06 bx G48HN-K49HN 8.200 8.046 3.24E+05 2.57E+06 -- E59QG-E59QB 2.438 2.168 1.14E+06 1.03E+07 bx T58HN-T58HA 8.016 4.220 9.26E+05 8.18E+06 bx T58HN-T58HB 8.017 4.354 4.19E+05 3.45E+06 -- Q60HE21-Q60HE22 7.343 6.630 8.14E+06 5.90E+07 bx Q60HE21-Q60QG 7.349 2.397 1.43E+05 7.73E+05 bx S19HN-S19QB 8.272 3.855 2.92E+05 2.33E+06 bx T17HN-K16HA 7.905 4.400 7.45E+05 4.38E+06 bx T21HB-T21HA 4.095 4.321 4.96E+05 4.60E+06 bx T21QG2-T21HB 1.295 4.095 1.37E+06 1.08E+07 bx T21HB-T21QG2 4.096 1.295 8.05E+05 6.03E+06 bx T21HA-T21QG2 4.331 1.292 3.14E+05 1.77E+06 bx T21HN-T21QG2 7.973 1.297 5.37E+05 2.08E+06 -- T21HN-T21HB 7.972 4.096 4.91E+05 3.89E+06 -- T21HN-T21HA 7.970 4.322 5.28E+05 3.98E+06 bx K22HN-T21QG2 8.093 1.295 2.16E+05 1.25E+06 bx F35HB2-F35HA 2.982 4.254 4.63E+05 4.39E+06 bx F35HB3-F35HA 3.245 4.252 5.37E+05 4.00E+06 bx F39HB3-F39HA 2.887 4.336 3.86E+05 3.82E+06 bx F39HB2-F39HA 3.117 4.336 4.42E+05 3.88E+06 bx C40HB2-C40HA 2.986 4.338 3.35E+05 3.47E+06 bx C40HB3-C40HA 3.081 4.341 3.89E+05 3.35E+06 bx F39HB3-L36HA 2.894 4.063 1.82E+05 1.59E+06 bx F39HB2-L36HA 3.119 4.066 2.17E+05 2.10E+06 bx T41HN-T41HA 7.869 4.153 6.99E+05 5.62E+06 bx T61QG2-T61HB 1.164 4.249 5.71E+05 4.75E+06 bx T61QG2-T61HA 1.167 4.192 1.17E+06 3.55E+06 -- S19HN-W18QB 8.266 3.410 3.60E+05 2.44E+06 bx W18HD1-W18QB 7.272 3.421 1.19E+06 7.27E+06 bx W18HE3-W18QB 7.637 3.417 1.68E+05 3.06E+06 bx W18HE3-W18HA 7.639 4.670 2.12E+05 3.07E+06 bx W18QB-W18HA 3.421 4.673 6.06E+05 4.89E+06 bx W18HN-T17QG2 8.455 1.239 2.14E+05 1.58E+06 bx R4HN-R4QB 8.442 1.838 2.11E+05 1.66E+06 bx D44HN-E43HG2 8.267 2.357 2.03E+05 1.01E+06 bx T21QG2-W18HA 1.294 4.673 3.12E+05 2.28E+06 bx T61HN-Q60HB3 7.914 2.136 1.89E+05 1.00E+06 -- L29HN-L29HA 7.973 4.154 4.78E+05 3.57E+06 bx W18HE3-T21QG2 7.630 1.293 1.93E+05 1.44E+06 bx R51HN-R51QD 8.063 3.237 1.58E+05 1.23E+06 bx L32QB-L29HA 1.749 4.149 4.99E+05 4.49E+06 bx E34HN-I30HA 8.335 3.812 1.41E+05 1.03E+06 bx A10QB-A10HA 1.499 4.211 1.42E+06 1.20E+07 bx K9QG-K9HA 1.494 4.139 6.36E+05 4.48E+06 bx A64HA-A64QB 4.379 1.429 2.12E+05 1.70E+06 bx A70QB-K69HA 1.453 4.398 3.07E+05 1.00E+06 bx A25HA-I28HB 4.115 2.041 2.71E+05 2.01E+06 -- A25HA-A25QB 4.114 1.507 9.33E+05 8.02E+06 bx Q26HA-I28QG1 4.038 1.509 6.38E+05 5.05E+06 bx Q26HN-A25QB 8.061 1.506 7.98E+05 3.00E+06 -- A25HN-A25HA 8.149 4.113 7.59E+05 5.69E+06 bx Q26HN-A25HA 8.061 4.113 2.62E+05 2.19E+06 bx I28HN-A25HA 7.858 4.115 2.77E+05 2.02E+06 -- L29HN-L29QD1 7.969 0.866 2.40E+05 1.65E+06 -- L29HN-L29HA 7.968 4.130 1.72E+05 1.72E+06 bx V12HB-K9HA 2.244 4.141 3.51E+05 2.27E+06 -- G56HN-S55QB 8.449 3.860 1.55E+05 9.19E+05 bx L57HN-G56QA 8.401 4.046 9.41E+05 7.60E+06 bx L57HN-L57QB 8.399 1.655 1.52E+05 6.24E+05 bx T58HN-L57QD1 8.014 0.903 3.07E+05 2.11E+06 bx T58HN-L57QD2 8.017 0.940 2.07E+05 1.37E+06 bx T58HN-L57HA 8.014 4.513 6.76E+05 3.27E+06 -- L57HN-L57HA 8.401 4.505 9.38E+05 7.41E+06 bx L57HN-T58HN 8.403 8.014 2.88E+05 2.41E+06 bx L57QD2-L57HA 0.940 4.511 4.75E+05 3.24E+06 bx L57QD1-L57HA 0.895 4.513 1.29E+05 9.49E+05 bx F35HN-E34HB2 8.269 2.253 1.80E+05 1.43E+06 bx L37HN-E34HA 8.564 3.963 2.27E+05 1.91E+06 bx E34HN-E34HB2 8.334 2.256 4.38E+05 3.44E+06 bx F35HN-E34HG3 8.275 2.399 2.23E+05 2.00E+06 bx E34HN-E34HB3 8.332 2.081 4.58E+05 3.46E+06 bx E34HG2-E34HG3 2.644 2.398 5.26E+05 4.91E+06 bx E34HG2-E34HB2 2.668 2.253 3.77E+05 3.38E+06 bx E34HG2-E34HB3 2.649 2.080 1.62E+05 1.54E+06 bx E34HG2-E34HA 2.649 3.968 1.61E+05 1.37E+06 bx E34HB3-E34HA 2.082 3.964 2.07E+05 1.86E+06 bx F35HN-E34HA 8.273 3.959 3.21E+05 3.26E+06 bx E34HN-E34HG2 8.333 2.651 4.06E+05 3.29E+06 -- F35HN-E34HB3 8.274 2.080 2.71E+05 2.57E+06 bx L37QB-E34HA 1.873 3.965 2.34E+05 3.47E+06 -- V12HB-V12HA 2.230 3.888 1.86E+05 1.87E+06 bx I30HG12-I30HA 1.759 3.811 2.30E+05 2.20E+06 bx E43HN-E43HG2 8.137 2.352 2.75E+05 2.30E+06 bx E43HN-E43HB2 8.136 2.140 4.22E+05 3.39E+06 bx E43HN-E43HB3 8.140 2.076 4.60E+05 3.59E+06 -- E43HG2-E43HA 2.358 4.283 3.64E+05 2.83E+06 bx E43HB2-E43HA 2.139 4.281 6.80E+05 5.78E+06 bx E43HB3-E43HA 2.081 4.284 4.28E+05 3.83E+06 bx E43HN-E43HA 8.136 4.283 1.34E+06 1.12E+07 bx T61HN-Q60HN 7.912 8.198 7.18E+05 5.92E+06 bx Q60HN-Q60QG 8.197 2.395 4.36E+05 4.00E+06 bx T61HN-Q60QG 7.911 2.394 9.76E+04 1.00E+06 bx T61HN-Q60HB2 7.911 2.055 5.87E+04 9.10E+05 bx Q60HN-Q60HB2 8.204 2.038 4.56E+05 3.02E+06 bx Q60HN-Q60HB3 8.202 2.134 7.38E+05 3.85E+06 bx Q60HG2-Q60HB2 2.395 2.057 2.27E+06 1.76E+07 bx Q60HG2-Q60HB3 2.397 2.146 1.05E+06 7.91E+06 bx Q60QG-Q60HA 2.389 4.335 3.59E+05 3.46E+06 bx Q60HB2-Q60HA 2.056 4.332 2.21E+05 2.74E+06 bx Q60HB3-Q60HA 2.138 4.330 2.52E+05 2.07E+06 bx Q60HN-Q60HA 8.198 4.334 7.01E+05 6.52E+06 bx T61HN-Q60HA 7.909 4.332 1.70E+06 1.46E+07 bx Q60HN-E59HA 8.197 4.268 7.40E+05 5.73E+06 bx Q52HN-Q52QG 8.282 2.412 3.89E+05 2.17E+06 -- Q52HN-Q52HB3 8.285 2.147 4.15E+05 3.91E+06 -- Q52HN-Q52HB2 8.284 2.081 4.28E+05 3.37E+06 -- Q52HN-Q52HA 8.285 4.286 5.48E+05 5.01E+06 bx Q52QG-Q52HA 2.412 4.288 6.03E+05 4.28E+06 bx Q52HB3-Q52HA 2.148 4.286 5.30E+05 5.35E+06 bx Q52QG-Q52HB2 2.413 2.079 5.87E+05 5.91E+06 bx Q60HE22-Q60QG 6.626 2.397 2.10E+05 1.38E+06 bx R53HN-Q52HA 8.044 4.285 9.91E+05 3.55E+06 -- R53HN-Q52HN 8.044 8.269 2.53E+05 4.48E+06 -- R53HN-H54HN 8.045 8.365 2.37E+05 5.20E+06 -- R53HN-Q52HB3 8.045 2.129 4.94E+05 2.61E+06 bx R53HN-R53HG2 8.046 1.797 9.58E+04 1.60E+06 bx R53HN-R53HG3 8.044 1.729 8.90E+04 1.81E+06 bx R53HN-R53QB 8.045 1.898 6.74E+05 5.92E+06 bx R53HN-R53HA 8.043 4.349 7.31E+05 6.28E+06 bx H54HN-R53HA 8.365 4.350 6.68E+05 3.27E+06 -- Q52HN-R51HA 8.282 4.345 1.13E+06 3.27E+06 -- R51HN-Q52HN 8.083 8.282 2.41E+05 1.66E+06 -- R51HN-R51HA 8.081 4.346 1.11E+06 8.82E+06 bx Q52HN-R51HD2 8.287 3.246 1.12E+05 1.14E+06 bx R53QD-R53HG3 3.246 1.728 5.66E+05 5.69E+06 bx R53QD-R53HG2 3.246 1.804 2.00E+05 1.88E+06 bx R53QD-R53QB 3.246 1.902 1.31E+05 1.23E+06 bx R53QB-R53HG2 1.900 1.802 1.86E+06 1.63E+07 bx R53HG2-R53HA 1.796 4.349 1.84E+05 1.53E+06 bx R53QB-R53HA 1.899 4.347 2.61E+05 2.34E+06 bx R53QD-R53HA 3.250 4.347 1.44E+05 9.78E+05 bx R51HN-R51HG2 8.093 1.718 2.60E+05 1.16E+06 bx R51HN-R51HG3 8.082 1.809 2.66E+05 2.12E+06 bx R51QD-R51HG3 3.246 1.810 2.96E+05 2.69E+06 bx R51HN-K50HA 8.079 4.119 2.38E+05 1.54E+06 bx R51HN-K50HN 8.085 8.453 1.91E+05 1.66E+06 -- K50HN-K50HG3 8.457 1.519 2.22E+05 5.36E+05 bx R51HN-K50HG3 8.086 1.522 2.57E+05 1.82E+06 bx R51HN-K50QD 8.081 1.841 2.96E+05 2.18E+06 bx K50HG3-K50HA 1.523 4.120 9.27E+05 9.98E+06 bx K50HA-K50HG2 4.111 1.745 3.00E+05 2.43E+06 bx K49HN-G48HA1 8.048 3.926 2.92E+05 2.51E+06 bx K49HN-G48HA2 8.047 4.001 4.78E+05 4.31E+06 bx K49QD-K49HG3 1.648 1.536 1.57E+06 1.40E+07 bx K49HG2-K49HA 1.459 4.331 1.44E+05 8.15E+05 bx K49QD-K49HA 1.643 4.311 3.28E+05 1.79E+06 bx K49HB2-K49HA 1.728 4.335 1.72E+05 2.15E+06 bx K49HN-K49HA 8.045 4.325 3.63E+05 4.40E+06 bx R27HN-R27QD 7.744 3.234 2.11E+05 1.05E+06 bx R24HN-R24QD 7.878 3.230 1.84E+05 1.42E+06 bx A25HN-R24HN 8.150 7.865 3.00E+05 5.20E+06 -- I28QG2-L32QB 0.997 1.738 6.73E+05 5.60E+06 -- L32HN-L32QB 8.559 1.739 3.46E+05 2.77E+06 bx L29HA-L29QD2 4.154 0.948 7.55E+05 4.71E+06 bx L29QB-L29QD2 1.636 0.948 9.12E+05 8.38E+06 bx L29QB-L29QD1 1.636 0.870 2.24E+05 2.67E+06 bx L29HA-L29QB 4.150 1.637 1.36E+05 1.57E+06 bx L29QB-L29HA 1.638 4.150 4.13E+05 3.36E+06 bx L32HN-L29HA 8.566 4.149 9.47E+05 2.02E+06 -- L32HA-L32HG 4.105 1.657 1.79E+05 2.06E+06 -- L32HA-L32QB 4.107 1.742 1.38E+05 1.52E+06 bx L32HA-L32QQD 4.105 0.872 5.00E+05 4.07E+06 bx L32HA-L32QQD 4.113 0.940 5.17E+05 4.80E+06 -- L33QB-I30HA 1.922 3.810 4.05E+05 2.63E+06 bx L33HN-L33QB 8.566 1.918 2.26E+05 2.53E+06 bx L33HN-E34HN 8.566 8.336 3.93E+05 3.10E+06 bx E34HN-L33QD1 8.333 0.878 2.85E+05 1.92E+06 bx E34HN-L33QD2 8.335 0.940 2.76E+05 1.31E+06 -- L33HN-L33HG 8.562 1.637 4.91E+05 3.86E+06 bx E34HN-L33QB 8.335 1.921 3.08E+05 2.24E+06 bx L33HA-L33QB 4.126 1.922 3.47E+05 3.39E+06 bx V12HA-V12HB 3.878 2.234 3.63E+05 2.88E+06 bx V14HA-V14QG2 3.857 0.912 5.65E+05 4.36E+06 bx V14HA-V14QG1 3.856 1.045 1.00E+06 5.98E+06 -- V14HA-V14HB 3.857 2.146 3.90E+05 2.88E+06 bx V46HA-V46HN 4.066 8.042 7.95E+05 6.55E+06 bx V46HB-V46HN 2.185 8.037 3.51E+05 2.68E+06 -- V46QQG-V46HN 1.007 8.040 5.08E+05 4.16E+06 bx V46HA-V46HB 4.057 2.181 2.87E+05 2.45E+06 bx D47HN-V46HB 8.175 2.180 2.40E+05 1.80E+06 -- S19HN-T17QG2 8.277 1.236 2.59E+05 1.54E+06 bx R8HA-R8HB2 4.056 1.993 8.30E+05 6.96E+06 bx R8QD-R8HB2 3.223 1.992 3.19E+05 2.76E+06 bx R8HB2-R8QD 1.991 3.221 2.45E+05 2.56E+06 bx R8HN-R8QB 8.052 1.993 3.01E+05 3.02E+06 bx R8HN-R8HA 8.051 4.055 7.56E+05 6.38E+06 bx R24HN-K23QB 7.877 1.825 1.84E+05 1.79E+06 bx K23HN-K23QB 7.916 1.825 2.22E+05 1.88E+06 bx R24QD-R24QG 3.233 1.643 7.20E+05 6.23E+06 bx Q5QG-Q5HA 2.394 4.355 3.59E+05 2.64E+06 bx Q5HB3-Q5HA 2.121 4.356 2.41E+05 2.23E+06 bx Q5HB2-Q5HA 2.035 4.366 2.75E+05 1.38E+06 bx Q5HN-Q5HB3 8.178 2.122 2.21E+05 1.92E+06 -- Q5HN-Q5QG 8.185 2.381 2.61E+05 1.91E+06 bx Q5HN-Q5HA 8.178 4.358 7.31E+05 6.01E+06 bx L37HG-L37QD2 1.524 0.874 8.74E+05 7.85E+06 bx Q52HE22-Q52HE21 7.386 6.699 1.72E+06 1.77E+07 bx F39HN-F35HA 8.330 4.252 2.79E+05 2.12E+06 bx R27HN-R24HA 7.740 4.090 4.40E+05 1.32E+06 -- R24HN-R24HA 7.876 4.093 6.96E+05 5.62E+06 bx A25HN-R24HA 8.150 4.093 6.20E+05 1.86E+06 -- S19HN-W18HN 8.264 8.451 3.83E+05 1.19E+06 bx S19HN-G20HN 8.270 8.105 3.61E+05 1.51E+06 -- G20HN-G20QA 8.103 3.965 9.52E+05 7.85E+06 bx G20HN-S19HA 8.102 4.218 2.73E+05 2.64E+06 bx S19QB-S19HA 3.855 4.223 3.47E+05 2.69E+06 bx T17HN-T17HA 7.912 4.350 1.13E+06 9.86E+06 bx V14HN-V14QG1 8.274 1.049 6.50E+05 5.13E+06 bx S15HN-V14QG2 8.035 0.911 2.01E+05 2.20E+06 bx S15HN-V14QG1 8.035 1.047 8.46E+04 1.19E+06 bx S15HN-V14HA 8.044 3.857 4.66E+05 3.26E+06 bx V14HN-S15HN 8.279 8.025 2.61E+05 1.11E+06 bx V14QG2-V14HB 0.914 2.139 9.30E+05 8.39E+06 bx V14QG1-V14HB 1.046 2.136 7.96E+05 6.75E+06 bx V14HN-K13HN 8.286 7.907 7.68E+05 5.18E+06 bx S15HN-S15HA 8.044 4.342 3.99E+05 4.35E+06 bx K16HN-S15HA 8.025 4.350 7.35E+05 6.56E+06 bx T58QG2-T58HA 1.229 4.218 1.22E+06 3.55E+06 -- K49HN-D47QB 8.047 2.775 2.00E+05 1.58E+06 bx K49QE-K49HG2 3.017 1.458 1.99E+05 2.12E+06 bx K49QE-K49HG3 3.015 1.536 3.11E+05 2.29E+06 bx L6HN-L6HA 8.358 4.284 7.29E+05 5.96E+06 bx S7HN-S7HA 7.948 4.357 2.59E+05 1.62E+06 bx S7HN-L6HA 7.948 4.282 2.53E+05 1.55E+06 bx S7HN-S7QB 7.951 3.980 2.49E+05 1.41E+06 bx K9HN-L6HA 8.031 4.283 6.06E+05 1.32E+06 -- K9HN-R8QB 8.034 1.996 4.03E+05 3.08E+06 bx K9HN-R8HA 8.034 4.056 9.36E+05 1.52E+06 -- R8HN-R8HG2 8.053 1.745 3.40E+05 2.90E+06 bx K9HN-R8HG2 8.036 1.744 5.38E+05 4.14E+06 bx R8QD-R8HG2 3.222 1.747 5.87E+05 4.73E+06 bx R8QB-R8HG2 1.992 1.745 8.59E+05 7.94E+06 bx R8QG-R8HA 1.747 4.057 2.79E+05 2.27E+06 bx S11HN-R8HA 8.012 4.055 1.14E+06 2.02E+06 -- R4HN-R4HA 8.447 4.062 4.16E+05 1.79E+06 bx Q5HN-R4HA 8.179 4.069 3.17E+05 2.58E+06 bx I28HN-I28QG1 7.859 1.507 2.90E+05 2.64E+06 bx I28QD1-I28QG1 0.872 1.505 8.70E+05 6.49E+06 bx I28QG1-I28HB 1.513 2.031 3.65E+05 2.23E+06 bx L29HN-I28QG1 7.974 1.500 2.01E+05 1.41E+06 bx L37QB-L37HG 1.857 1.534 2.51E+05 2.69E+06 bx T61HN-T61HA 7.910 4.191 5.23E+05 5.11E+06 bx S63HN-S63HB3 7.862 3.907 4.13E+05 3.63E+06 bx Q60HB2-Q60HB3 2.060 2.133 3.57E+06 2.86E+07 bx R24HN-T21HA 7.882 4.315 1.78E+05 1.14E+06 bx K23HN-G20QA 7.913 3.961 2.03E+05 1.40E+06 bx K23HN-K23HA 7.915 4.161 1.26E+06 9.70E+06 bx K23HN-T21QG2 7.917 1.298 1.61E+05 1.17E+06 bx K23HN-K23QG 7.922 1.486 2.11E+05 1.19E+06 bx K22HN-K22HA 8.092 4.211 3.35E+05 2.67E+06 bx K22HN-T21HA 8.093 4.320 5.05E+05 1.52E+06 -- K22HN-K22HB2 8.092 1.913 2.15E+05 2.44E+06 bx K22HN-K22HG2 8.089 1.443 2.01E+05 1.14E+06 bx K22HN-T21HN 8.097 7.955 1.97E+05 1.64E+06 -- K16HN-K16HA 8.018 4.403 3.95E+05 2.65E+06 bx K16HN-T17HN 8.024 7.907 2.56E+05 1.26E+06 -- V14HN-V14HA 8.267 3.855 3.51E+05 2.86E+06 bx D44HN-D44HB2 8.270 2.799 2.81E+05 2.49E+06 bx S45HN-D44HB2 8.077 2.808 1.37E+05 1.34E+06 bx D44HB2-D44HA 2.802 4.691 3.23E+05 3.06E+06 bx S55HN-H54HB2 8.246 3.245 1.76E+05 1.63E+06 bx S55HN-H54HB3 8.245 3.376 1.92E+05 1.28E+06 bx I28QG2-I28HA 0.996 3.884 1.51E+06 1.16E+07 bx V12HN-V12HA 7.858 3.862 5.37E+05 3.97E+06 bx F39HN-D38HB3 8.326 2.882 6.86E+05 5.47E+06 bx R51QB-R51HA 1.898 4.344 -1.57E+03 2.52E+06 bx R51QD-R51QB 3.245 1.900 7.61E+04 1.06E+06 bx R51QD-R51HG2 3.246 1.723 5.54E+05 5.52E+06 bx Q52QG-Q52HB3 2.412 2.147 1.22E+06 9.60E+06 bx L37HA-L37QD1 4.135 0.931 4.66E+05 3.03E+06 bx Q26HB3-K23HA 2.256 4.149 1.73E+05 1.73E+06 bx ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . 'not observed' 7002.801 Hz . . . 4.52 . . 34116 1 2 . . H 1 H . 'not observed' 7002.801 Hz . . . 4.52 . . 34116 1 stop_ save_