data_30445 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30445 _Entry.Title ; The NMR solution structure of CCL28 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-30 _Entry.Accession_date 2018-03-30 _Entry.Last_release_date 2018-04-09 _Entry.Original_release_date 2018-04-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30445 stop_ 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 M. Thomas M. A. . . 30445 2 F. Peterson F. C. . . 30445 3 B. Volkman B. F. . . 30445 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Antifungal activity' . 30445 CCL28 . 30445 CYTOKINE . 30445 Chemokine . 30445 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30445 spectral_peak_list 3 30445 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 434 30445 '15N chemical shifts' 111 30445 '1H chemical shifts' 701 30445 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 . . 2019-05-24 2018-03-30 update BMRB 'update entry citation' 30445 1 . . 2018-06-26 2018-03-30 original author 'original release' 30445 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6CWS . 30445 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30445 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.jmb.2018.06.001 _Citation.PubMed_ID 29913161 _Citation.Full_citation . _Citation.Title ; The Solution Structure of CCL28 Reveals Structural Lability that Does Not Constrain Antifungal Activity. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 430 _Citation.Journal_issue '18 Pt B' _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _Citation.Journal_CSD 0353 _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 3266 _Citation.Page_last 3282 _Citation.Year 2018 _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 M. Thomas M. A. . . 30445 1 2 J. He J. . . . 30445 1 3 F. Peterson F. C. . . 30445 1 4 A. Suppler A. R. . . 30445 1 5 B. Volkman B. F. . . 30445 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30445 _Assembly.ID 1 _Assembly.Name 'C-C motif chemokine 28' _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 . . . . . . 30445 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30445 _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 ; SEAILPIASSCCTEVSHHIS RRLLERVNMCRIQRADGDCD LAAVILHVKRRRICVSPHNH TVKQWMKVQAAKKNGKGNVC HRKKHHGKRNSNRAHQGKHE TYGHKTPY ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12394.421 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 MEC na 30445 1 'Mucosae-associated epithelial chemokine' na 30445 1 'Protein CCK1' na 30445 1 'Small-inducible cytokine A28' na 30445 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 . SER . 30445 1 2 . GLU . 30445 1 3 . ALA . 30445 1 4 . ILE . 30445 1 5 . LEU . 30445 1 6 . PRO . 30445 1 7 . ILE . 30445 1 8 . ALA . 30445 1 9 . SER . 30445 1 10 . SER . 30445 1 11 . CYS . 30445 1 12 . CYS . 30445 1 13 . THR . 30445 1 14 . GLU . 30445 1 15 . VAL . 30445 1 16 . SER . 30445 1 17 . HIS . 30445 1 18 . HIS . 30445 1 19 . ILE . 30445 1 20 . SER . 30445 1 21 . ARG . 30445 1 22 . ARG . 30445 1 23 . LEU . 30445 1 24 . LEU . 30445 1 25 . GLU . 30445 1 26 . ARG . 30445 1 27 . VAL . 30445 1 28 . ASN . 30445 1 29 . MET . 30445 1 30 . CYS . 30445 1 31 . ARG . 30445 1 32 . ILE . 30445 1 33 . GLN . 30445 1 34 . ARG . 30445 1 35 . ALA . 30445 1 36 . ASP . 30445 1 37 . GLY . 30445 1 38 . ASP . 30445 1 39 . CYS . 30445 1 40 . ASP . 30445 1 41 . LEU . 30445 1 42 . ALA . 30445 1 43 . ALA . 30445 1 44 . VAL . 30445 1 45 . ILE . 30445 1 46 . LEU . 30445 1 47 . HIS . 30445 1 48 . VAL . 30445 1 49 . LYS . 30445 1 50 . ARG . 30445 1 51 . ARG . 30445 1 52 . ARG . 30445 1 53 . ILE . 30445 1 54 . CYS . 30445 1 55 . VAL . 30445 1 56 . SER . 30445 1 57 . PRO . 30445 1 58 . HIS . 30445 1 59 . ASN . 30445 1 60 . HIS . 30445 1 61 . THR . 30445 1 62 . VAL . 30445 1 63 . LYS . 30445 1 64 . GLN . 30445 1 65 . TRP . 30445 1 66 . MET . 30445 1 67 . LYS . 30445 1 68 . VAL . 30445 1 69 . GLN . 30445 1 70 . ALA . 30445 1 71 . ALA . 30445 1 72 . LYS . 30445 1 73 . LYS . 30445 1 74 . ASN . 30445 1 75 . GLY . 30445 1 76 . LYS . 30445 1 77 . GLY . 30445 1 78 . ASN . 30445 1 79 . VAL . 30445 1 80 . CYS . 30445 1 81 . HIS . 30445 1 82 . ARG . 30445 1 83 . LYS . 30445 1 84 . LYS . 30445 1 85 . HIS . 30445 1 86 . HIS . 30445 1 87 . GLY . 30445 1 88 . LYS . 30445 1 89 . ARG . 30445 1 90 . ASN . 30445 1 91 . SER . 30445 1 92 . ASN . 30445 1 93 . ARG . 30445 1 94 . ALA . 30445 1 95 . HIS . 30445 1 96 . GLN . 30445 1 97 . GLY . 30445 1 98 . LYS . 30445 1 99 . HIS . 30445 1 100 . GLU . 30445 1 101 . THR . 30445 1 102 . TYR . 30445 1 103 . GLY . 30445 1 104 . HIS . 30445 1 105 . LYS . 30445 1 106 . THR . 30445 1 107 . PRO . 30445 1 108 . TYR . 30445 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 . SER 1 1 30445 1 . GLU 2 2 30445 1 . ALA 3 3 30445 1 . ILE 4 4 30445 1 . LEU 5 5 30445 1 . PRO 6 6 30445 1 . ILE 7 7 30445 1 . ALA 8 8 30445 1 . SER 9 9 30445 1 . SER 10 10 30445 1 . CYS 11 11 30445 1 . CYS 12 12 30445 1 . THR 13 13 30445 1 . GLU 14 14 30445 1 . VAL 15 15 30445 1 . SER 16 16 30445 1 . HIS 17 17 30445 1 . HIS 18 18 30445 1 . ILE 19 19 30445 1 . SER 20 20 30445 1 . ARG 21 21 30445 1 . ARG 22 22 30445 1 . LEU 23 23 30445 1 . LEU 24 24 30445 1 . GLU 25 25 30445 1 . ARG 26 26 30445 1 . VAL 27 27 30445 1 . ASN 28 28 30445 1 . MET 29 29 30445 1 . CYS 30 30 30445 1 . ARG 31 31 30445 1 . ILE 32 32 30445 1 . GLN 33 33 30445 1 . ARG 34 34 30445 1 . ALA 35 35 30445 1 . ASP 36 36 30445 1 . GLY 37 37 30445 1 . ASP 38 38 30445 1 . CYS 39 39 30445 1 . ASP 40 40 30445 1 . LEU 41 41 30445 1 . ALA 42 42 30445 1 . ALA 43 43 30445 1 . VAL 44 44 30445 1 . ILE 45 45 30445 1 . LEU 46 46 30445 1 . HIS 47 47 30445 1 . VAL 48 48 30445 1 . LYS 49 49 30445 1 . ARG 50 50 30445 1 . ARG 51 51 30445 1 . ARG 52 52 30445 1 . ILE 53 53 30445 1 . CYS 54 54 30445 1 . VAL 55 55 30445 1 . SER 56 56 30445 1 . PRO 57 57 30445 1 . HIS 58 58 30445 1 . ASN 59 59 30445 1 . HIS 60 60 30445 1 . THR 61 61 30445 1 . VAL 62 62 30445 1 . LYS 63 63 30445 1 . GLN 64 64 30445 1 . TRP 65 65 30445 1 . MET 66 66 30445 1 . LYS 67 67 30445 1 . VAL 68 68 30445 1 . GLN 69 69 30445 1 . ALA 70 70 30445 1 . ALA 71 71 30445 1 . LYS 72 72 30445 1 . LYS 73 73 30445 1 . ASN 74 74 30445 1 . GLY 75 75 30445 1 . LYS 76 76 30445 1 . GLY 77 77 30445 1 . ASN 78 78 30445 1 . VAL 79 79 30445 1 . CYS 80 80 30445 1 . HIS 81 81 30445 1 . ARG 82 82 30445 1 . LYS 83 83 30445 1 . LYS 84 84 30445 1 . HIS 85 85 30445 1 . HIS 86 86 30445 1 . GLY 87 87 30445 1 . LYS 88 88 30445 1 . ARG 89 89 30445 1 . ASN 90 90 30445 1 . SER 91 91 30445 1 . ASN 92 92 30445 1 . ARG 93 93 30445 1 . ALA 94 94 30445 1 . HIS 95 95 30445 1 . GLN 96 96 30445 1 . GLY 97 97 30445 1 . LYS 98 98 30445 1 . HIS 99 99 30445 1 . GLU 100 100 30445 1 . THR 101 101 30445 1 . TYR 102 102 30445 1 . GLY 103 103 30445 1 . HIS 104 104 30445 1 . LYS 105 105 30445 1 . THR 106 106 30445 1 . PRO 107 107 30445 1 . TYR 108 108 30445 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 30445 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'CCL28, SCYA28' . 30445 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 30445 _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 . 'recombinant technology' 'Aphyosemion etsamense' . . 310954 Aphyosemion etsamense BL21(DE3) . . Plasmid . . pET28a . . . 30445 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30445 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM [U-99% 13C; U-99% 15N] CCL28, 25 mM [U-99% 2H] MES, 0.02 % sodium azide, 95% H2O/5% D2O' _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 CCL28 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.7 . . mM . . . . 30445 1 2 MES '[U-99% 2H]' . . . . . . 25 . . mM . . . . 30445 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 30445 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 30445 _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' 15 . mM 30445 1 pH 6.2 . pH 30445 1 pressure 1 . atm 30445 1 temperature 298 . K 30445 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30445 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30445 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30445 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30445 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30445 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30445 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30445 _Software.ID 3 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 30445 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30445 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30445 _Software.ID 4 _Software.Type . _Software.Name GARANT _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels, Guntert, Billeter and Wuthrich' . . 30445 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30445 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30445 _Software.ID 5 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30445 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30445 5 'structure calculation' 30445 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30445 _Software.ID 6 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30445 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 30445 6 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 30445 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600.13 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 30445 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 600.13 . . . 30445 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 30445 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30445 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30445 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30445 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 30445 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30445 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30445 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30445 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 30445 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 30445 1 2 '3D 1H-13C NOESY aliphatic' . . . 30445 1 3 '3D 1H-13C NOESY aromatic' . . . 30445 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.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 SER C C 13 179.311 0.000 . 1 . . . . A 1 SER C . 30445 1 2 . 1 1 2 2 GLU H H 1 7.767 0.000 . 1 . . . . A 2 GLU H . 30445 1 3 . 1 1 2 2 GLU HA H 1 4.295 0.000 . 1 . . . . A 2 GLU HA . 30445 1 4 . 1 1 2 2 GLU HB2 H 1 2.037 0.000 . 2 . . . . A 2 GLU HB2 . 30445 1 5 . 1 1 2 2 GLU HB3 H 1 1.878 0.000 . 2 . . . . A 2 GLU HB3 . 30445 1 6 . 1 1 2 2 GLU HG2 H 1 2.234 0.000 . 2 . . . . A 2 GLU HG2 . 30445 1 7 . 1 1 2 2 GLU HG3 H 1 2.234 0.000 . 2 . . . . A 2 GLU HG3 . 30445 1 8 . 1 1 2 2 GLU C C 13 175.896 0.000 . 1 . . . . A 2 GLU C . 30445 1 9 . 1 1 2 2 GLU CA C 13 56.552 0.000 . 1 . . . . A 2 GLU CA . 30445 1 10 . 1 1 2 2 GLU CB C 13 30.861 0.000 . 1 . . . . A 2 GLU CB . 30445 1 11 . 1 1 2 2 GLU CG C 13 36.413 0.000 . 1 . . . . A 2 GLU CG . 30445 1 12 . 1 1 2 2 GLU N N 15 120.156 0.000 . 1 . . . . A 2 GLU N . 30445 1 13 . 1 1 3 3 ALA H H 1 8.369 0.000 . 1 . . . . A 3 ALA H . 30445 1 14 . 1 1 3 3 ALA HA H 1 4.264 0.000 . 1 . . . . A 3 ALA HA . 30445 1 15 . 1 1 3 3 ALA HB1 H 1 1.279 0.000 . 1 . . . . A 3 ALA HB1 . 30445 1 16 . 1 1 3 3 ALA HB2 H 1 1.279 0.000 . 1 . . . . A 3 ALA HB2 . 30445 1 17 . 1 1 3 3 ALA HB3 H 1 1.279 0.000 . 1 . . . . A 3 ALA HB3 . 30445 1 18 . 1 1 3 3 ALA C C 13 177.121 0.000 . 1 . . . . A 3 ALA C . 30445 1 19 . 1 1 3 3 ALA CA C 13 52.544 0.000 . 1 . . . . A 3 ALA CA . 30445 1 20 . 1 1 3 3 ALA CB C 13 19.500 0.000 . 1 . . . . A 3 ALA CB . 30445 1 21 . 1 1 3 3 ALA N N 15 125.971 0.000 . 1 . . . . A 3 ALA N . 30445 1 22 . 1 1 4 4 ILE H H 1 8.161 0.000 . 1 . . . . A 4 ILE H . 30445 1 23 . 1 1 4 4 ILE HA H 1 4.168 0.000 . 1 . . . . A 4 ILE HA . 30445 1 24 . 1 1 4 4 ILE HB H 1 1.780 0.000 . 1 . . . . A 4 ILE HB . 30445 1 25 . 1 1 4 4 ILE HG12 H 1 1.416 0.000 . 2 . . . . A 4 ILE HG12 . 30445 1 26 . 1 1 4 4 ILE HG13 H 1 1.126 0.000 . 2 . . . . A 4 ILE HG13 . 30445 1 27 . 1 1 4 4 ILE HG21 H 1 0.814 0.000 . 1 . . . . A 4 ILE HG21 . 30445 1 28 . 1 1 4 4 ILE HG22 H 1 0.814 0.000 . 1 . . . . A 4 ILE HG22 . 30445 1 29 . 1 1 4 4 ILE HG23 H 1 0.814 0.000 . 1 . . . . A 4 ILE HG23 . 30445 1 30 . 1 1 4 4 ILE HD11 H 1 0.782 0.000 . 1 . . . . A 4 ILE HD11 . 30445 1 31 . 1 1 4 4 ILE HD12 H 1 0.782 0.000 . 1 . . . . A 4 ILE HD12 . 30445 1 32 . 1 1 4 4 ILE HD13 H 1 0.782 0.000 . 1 . . . . A 4 ILE HD13 . 30445 1 33 . 1 1 4 4 ILE C C 13 176.111 0.000 . 1 . . . . A 4 ILE C . 30445 1 34 . 1 1 4 4 ILE CA C 13 60.986 0.000 . 1 . . . . A 4 ILE CA . 30445 1 35 . 1 1 4 4 ILE CB C 13 39.277 0.000 . 1 . . . . A 4 ILE CB . 30445 1 36 . 1 1 4 4 ILE CG1 C 13 27.711 0.000 . 1 . . . . A 4 ILE CG1 . 30445 1 37 . 1 1 4 4 ILE CG2 C 13 17.796 0.000 . 1 . . . . A 4 ILE CG2 . 30445 1 38 . 1 1 4 4 ILE CD1 C 13 12.939 0.000 . 1 . . . . A 4 ILE CD1 . 30445 1 39 . 1 1 4 4 ILE N N 15 121.000 0.000 . 1 . . . . A 4 ILE N . 30445 1 40 . 1 1 5 5 LEU H H 1 8.274 0.000 . 1 . . . . A 5 LEU H . 30445 1 41 . 1 1 5 5 LEU HB2 H 1 1.527 0.000 . 2 . . . . A 5 LEU HB2 . 30445 1 42 . 1 1 5 5 LEU HB3 H 1 1.527 0.000 . 2 . . . . A 5 LEU HB3 . 30445 1 43 . 1 1 5 5 LEU C C 13 175.112 0.000 . 1 . . . . A 5 LEU C . 30445 1 44 . 1 1 5 5 LEU N N 15 128.377 0.000 . 1 . . . . A 5 LEU N . 30445 1 45 . 1 1 6 6 PRO HA H 1 4.393 0.000 . 1 . . . . A 6 PRO HA . 30445 1 46 . 1 1 6 6 PRO HB2 H 1 2.221 0.000 . 2 . . . . A 6 PRO HB2 . 30445 1 47 . 1 1 6 6 PRO HB3 H 1 1.840 0.000 . 2 . . . . A 6 PRO HB3 . 30445 1 48 . 1 1 6 6 PRO HG2 H 1 1.966 0.000 . 2 . . . . A 6 PRO HG2 . 30445 1 49 . 1 1 6 6 PRO HG3 H 1 1.966 0.000 . 2 . . . . A 6 PRO HG3 . 30445 1 50 . 1 1 6 6 PRO HD2 H 1 3.859 0.000 . 2 . . . . A 6 PRO HD2 . 30445 1 51 . 1 1 6 6 PRO HD3 H 1 3.598 0.000 . 2 . . . . A 6 PRO HD3 . 30445 1 52 . 1 1 6 6 PRO C C 13 177.103 0.000 . 1 . . . . A 6 PRO C . 30445 1 53 . 1 1 6 6 PRO CA C 13 63.086 0.000 . 1 . . . . A 6 PRO CA . 30445 1 54 . 1 1 6 6 PRO CB C 13 32.161 0.000 . 1 . . . . A 6 PRO CB . 30445 1 55 . 1 1 6 6 PRO CG C 13 27.631 0.000 . 1 . . . . A 6 PRO CG . 30445 1 56 . 1 1 6 6 PRO CD C 13 50.931 0.000 . 1 . . . . A 6 PRO CD . 30445 1 57 . 1 1 7 7 ILE H H 1 8.077 0.000 . 1 . . . . A 7 ILE H . 30445 1 58 . 1 1 7 7 ILE HA H 1 4.035 0.000 . 1 . . . . A 7 ILE HA . 30445 1 59 . 1 1 7 7 ILE HB H 1 1.774 0.002 . 1 . . . . A 7 ILE HB . 30445 1 60 . 1 1 7 7 ILE HG12 H 1 1.424 0.000 . 2 . . . . A 7 ILE HG12 . 30445 1 61 . 1 1 7 7 ILE HG13 H 1 1.128 0.000 . 2 . . . . A 7 ILE HG13 . 30445 1 62 . 1 1 7 7 ILE HG21 H 1 0.844 0.000 . 1 . . . . A 7 ILE HG21 . 30445 1 63 . 1 1 7 7 ILE HG22 H 1 0.844 0.000 . 1 . . . . A 7 ILE HG22 . 30445 1 64 . 1 1 7 7 ILE HG23 H 1 0.844 0.000 . 1 . . . . A 7 ILE HG23 . 30445 1 65 . 1 1 7 7 ILE HD11 H 1 0.785 0.000 . 1 . . . . A 7 ILE HD11 . 30445 1 66 . 1 1 7 7 ILE HD12 H 1 0.785 0.000 . 1 . . . . A 7 ILE HD12 . 30445 1 67 . 1 1 7 7 ILE HD13 H 1 0.785 0.000 . 1 . . . . A 7 ILE HD13 . 30445 1 68 . 1 1 7 7 ILE C C 13 176.448 0.000 . 1 . . . . A 7 ILE C . 30445 1 69 . 1 1 7 7 ILE CA C 13 61.620 0.000 . 1 . . . . A 7 ILE CA . 30445 1 70 . 1 1 7 7 ILE CB C 13 38.928 0.000 . 1 . . . . A 7 ILE CB . 30445 1 71 . 1 1 7 7 ILE CG1 C 13 27.948 0.000 . 1 . . . . A 7 ILE CG1 . 30445 1 72 . 1 1 7 7 ILE CG2 C 13 17.607 0.000 . 1 . . . . A 7 ILE CG2 . 30445 1 73 . 1 1 7 7 ILE CD1 C 13 13.502 0.000 . 1 . . . . A 7 ILE CD1 . 30445 1 74 . 1 1 7 7 ILE N N 15 121.013 0.000 . 1 . . . . A 7 ILE N . 30445 1 75 . 1 1 8 8 ALA H H 1 8.323 0.000 . 1 . . . . A 8 ALA H . 30445 1 76 . 1 1 8 8 ALA HA H 1 4.279 0.000 . 1 . . . . A 8 ALA HA . 30445 1 77 . 1 1 8 8 ALA HB1 H 1 1.347 0.000 . 1 . . . . A 8 ALA HB1 . 30445 1 78 . 1 1 8 8 ALA HB2 H 1 1.347 0.000 . 1 . . . . A 8 ALA HB2 . 30445 1 79 . 1 1 8 8 ALA HB3 H 1 1.347 0.000 . 1 . . . . A 8 ALA HB3 . 30445 1 80 . 1 1 8 8 ALA C C 13 177.792 0.000 . 1 . . . . A 8 ALA C . 30445 1 81 . 1 1 8 8 ALA CA C 13 52.973 0.000 . 1 . . . . A 8 ALA CA . 30445 1 82 . 1 1 8 8 ALA CB C 13 19.500 0.000 . 1 . . . . A 8 ALA CB . 30445 1 83 . 1 1 8 8 ALA N N 15 127.259 0.000 . 1 . . . . A 8 ALA N . 30445 1 84 . 1 1 9 9 SER H H 1 8.202 0.000 . 1 . . . . A 9 SER H . 30445 1 85 . 1 1 9 9 SER HA H 1 4.400 0.000 . 1 . . . . A 9 SER HA . 30445 1 86 . 1 1 9 9 SER HB2 H 1 3.768 0.000 . 2 . . . . A 9 SER HB2 . 30445 1 87 . 1 1 9 9 SER HB3 H 1 3.768 0.000 . 2 . . . . A 9 SER HB3 . 30445 1 88 . 1 1 9 9 SER C C 13 174.598 0.000 . 1 . . . . A 9 SER C . 30445 1 89 . 1 1 9 9 SER CA C 13 58.427 0.000 . 1 . . . . A 9 SER CA . 30445 1 90 . 1 1 9 9 SER CB C 13 64.426 0.000 . 1 . . . . A 9 SER CB . 30445 1 91 . 1 1 9 9 SER N N 15 114.681 0.000 . 1 . . . . A 9 SER N . 30445 1 92 . 1 1 10 10 SER H H 1 8.183 0.000 . 1 . . . . A 10 SER H . 30445 1 93 . 1 1 10 10 SER HA H 1 4.439 0.000 . 1 . . . . A 10 SER HA . 30445 1 94 . 1 1 10 10 SER HB2 H 1 3.834 0.000 . 2 . . . . A 10 SER HB2 . 30445 1 95 . 1 1 10 10 SER HB3 H 1 3.834 0.000 . 2 . . . . A 10 SER HB3 . 30445 1 96 . 1 1 10 10 SER C C 13 174.951 0.000 . 1 . . . . A 10 SER C . 30445 1 97 . 1 1 10 10 SER CA C 13 58.500 0.000 . 1 . . . . A 10 SER CA . 30445 1 98 . 1 1 10 10 SER CB C 13 64.435 0.000 . 1 . . . . A 10 SER CB . 30445 1 99 . 1 1 10 10 SER N N 15 117.843 0.000 . 1 . . . . A 10 SER N . 30445 1 100 . 1 1 11 11 CYS H H 1 8.369 0.000 . 1 . . . . A 11 CYS H . 30445 1 101 . 1 1 11 11 CYS HA H 1 4.484 0.000 . 1 . . . . A 11 CYS HA . 30445 1 102 . 1 1 11 11 CYS HB2 H 1 2.918 0.000 . 2 . . . . A 11 CYS HB2 . 30445 1 103 . 1 1 11 11 CYS HB3 H 1 2.655 0.000 . 2 . . . . A 11 CYS HB3 . 30445 1 104 . 1 1 11 11 CYS C C 13 176.354 0.000 . 1 . . . . A 11 CYS C . 30445 1 105 . 1 1 11 11 CYS CA C 13 55.463 0.000 . 1 . . . . A 11 CYS CA . 30445 1 106 . 1 1 11 11 CYS CB C 13 40.573 0.000 . 1 . . . . A 11 CYS CB . 30445 1 107 . 1 1 11 11 CYS N N 15 119.667 0.000 . 1 . . . . A 11 CYS N . 30445 1 108 . 1 1 12 12 CYS H H 1 10.180 0.000 . 1 . . . . A 12 CYS H . 30445 1 109 . 1 1 12 12 CYS HA H 1 4.627 0.000 . 1 . . . . A 12 CYS HA . 30445 1 110 . 1 1 12 12 CYS HB2 H 1 2.706 0.000 . 2 . . . . A 12 CYS HB2 . 30445 1 111 . 1 1 12 12 CYS HB3 H 1 2.836 0.000 . 2 . . . . A 12 CYS HB3 . 30445 1 112 . 1 1 12 12 CYS C C 13 176.262 0.000 . 1 . . . . A 12 CYS C . 30445 1 113 . 1 1 12 12 CYS CA C 13 57.644 0.000 . 1 . . . . A 12 CYS CA . 30445 1 114 . 1 1 12 12 CYS CB C 13 42.226 0.000 . 1 . . . . A 12 CYS CB . 30445 1 115 . 1 1 12 12 CYS N N 15 123.195 0.000 . 1 . . . . A 12 CYS N . 30445 1 116 . 1 1 13 13 THR H H 1 9.080 0.000 . 1 . . . . A 13 THR H . 30445 1 117 . 1 1 13 13 THR HA H 1 4.270 0.000 . 1 . . . . A 13 THR HA . 30445 1 118 . 1 1 13 13 THR HB H 1 4.394 0.000 . 1 . . . . A 13 THR HB . 30445 1 119 . 1 1 13 13 THR HG21 H 1 1.092 0.000 . 1 . . . . A 13 THR HG21 . 30445 1 120 . 1 1 13 13 THR HG22 H 1 1.092 0.000 . 1 . . . . A 13 THR HG22 . 30445 1 121 . 1 1 13 13 THR HG23 H 1 1.092 0.000 . 1 . . . . A 13 THR HG23 . 30445 1 122 . 1 1 13 13 THR C C 13 173.182 0.000 . 1 . . . . A 13 THR C . 30445 1 123 . 1 1 13 13 THR CA C 13 62.340 0.000 . 1 . . . . A 13 THR CA . 30445 1 124 . 1 1 13 13 THR CB C 13 69.394 0.052 . 1 . . . . A 13 THR CB . 30445 1 125 . 1 1 13 13 THR CG2 C 13 21.815 0.000 . 1 . . . . A 13 THR CG2 . 30445 1 126 . 1 1 13 13 THR N N 15 116.471 0.000 . 1 . . . . A 13 THR N . 30445 1 127 . 1 1 14 14 GLU H H 1 7.607 0.000 . 1 . . . . A 14 GLU H . 30445 1 128 . 1 1 14 14 GLU HA H 1 4.463 0.000 . 1 . . . . A 14 GLU HA . 30445 1 129 . 1 1 14 14 GLU HB2 H 1 1.999 0.000 . 2 . . . . A 14 GLU HB2 . 30445 1 130 . 1 1 14 14 GLU HB3 H 1 1.885 0.000 . 2 . . . . A 14 GLU HB3 . 30445 1 131 . 1 1 14 14 GLU HG2 H 1 2.117 0.000 . 2 . . . . A 14 GLU HG2 . 30445 1 132 . 1 1 14 14 GLU HG3 H 1 2.117 0.000 . 2 . . . . A 14 GLU HG3 . 30445 1 133 . 1 1 14 14 GLU C C 13 174.349 0.000 . 1 . . . . A 14 GLU C . 30445 1 134 . 1 1 14 14 GLU CA C 13 55.141 0.003 . 1 . . . . A 14 GLU CA . 30445 1 135 . 1 1 14 14 GLU CB C 13 32.122 0.000 . 1 . . . . A 14 GLU CB . 30445 1 136 . 1 1 14 14 GLU CG C 13 35.705 0.000 . 1 . . . . A 14 GLU CG . 30445 1 137 . 1 1 14 14 GLU N N 15 121.584 0.000 . 1 . . . . A 14 GLU N . 30445 1 138 . 1 1 15 15 VAL H H 1 8.260 0.000 . 1 . . . . A 15 VAL H . 30445 1 139 . 1 1 15 15 VAL HA H 1 4.323 0.000 . 1 . . . . A 15 VAL HA . 30445 1 140 . 1 1 15 15 VAL HB H 1 1.766 0.000 . 1 . . . . A 15 VAL HB . 30445 1 141 . 1 1 15 15 VAL HG11 H 1 0.655 0.000 . 2 . . . . A 15 VAL HG11 . 30445 1 142 . 1 1 15 15 VAL HG12 H 1 0.655 0.000 . 2 . . . . A 15 VAL HG12 . 30445 1 143 . 1 1 15 15 VAL HG13 H 1 0.655 0.000 . 2 . . . . A 15 VAL HG13 . 30445 1 144 . 1 1 15 15 VAL HG21 H 1 0.672 0.000 . 2 . . . . A 15 VAL HG21 . 30445 1 145 . 1 1 15 15 VAL HG22 H 1 0.672 0.000 . 2 . . . . A 15 VAL HG22 . 30445 1 146 . 1 1 15 15 VAL HG23 H 1 0.672 0.000 . 2 . . . . A 15 VAL HG23 . 30445 1 147 . 1 1 15 15 VAL C C 13 175.428 0.000 . 1 . . . . A 15 VAL C . 30445 1 148 . 1 1 15 15 VAL CA C 13 59.765 0.000 . 1 . . . . A 15 VAL CA . 30445 1 149 . 1 1 15 15 VAL CB C 13 35.196 0.000 . 1 . . . . A 15 VAL CB . 30445 1 150 . 1 1 15 15 VAL CG1 C 13 19.410 0.000 . 1 . . . . A 15 VAL CG1 . 30445 1 151 . 1 1 15 15 VAL CG2 C 13 22.652 0.000 . 1 . . . . A 15 VAL CG2 . 30445 1 152 . 1 1 15 15 VAL N N 15 114.642 0.000 . 1 . . . . A 15 VAL N . 30445 1 153 . 1 1 16 16 SER H H 1 8.612 0.000 . 1 . . . . A 16 SER H . 30445 1 154 . 1 1 16 16 SER HA H 1 4.565 0.000 . 1 . . . . A 16 SER HA . 30445 1 155 . 1 1 16 16 SER HB2 H 1 3.777 0.000 . 2 . . . . A 16 SER HB2 . 30445 1 156 . 1 1 16 16 SER HB3 H 1 3.777 0.000 . 2 . . . . A 16 SER HB3 . 30445 1 157 . 1 1 16 16 SER C C 13 176.602 1.624 . 1 . . . . A 16 SER C . 30445 1 158 . 1 1 16 16 SER CA C 13 57.721 0.000 . 1 . . . . A 16 SER CA . 30445 1 159 . 1 1 16 16 SER CB C 13 64.701 0.000 . 1 . . . . A 16 SER CB . 30445 1 160 . 1 1 16 16 SER N N 15 117.819 0.000 . 1 . . . . A 16 SER N . 30445 1 161 . 1 1 17 17 HIS H H 1 8.118 0.000 . 1 . . . . A 17 HIS H . 30445 1 162 . 1 1 17 17 HIS C C 13 174.764 0.000 . 1 . . . . A 17 HIS C . 30445 1 163 . 1 1 17 17 HIS N N 15 117.587 0.000 . 1 . . . . A 17 HIS N . 30445 1 164 . 1 1 18 18 HIS H H 1 7.889 0.000 . 1 . . . . A 18 HIS H . 30445 1 165 . 1 1 18 18 HIS HA H 1 4.766 0.000 . 1 . . . . A 18 HIS HA . 30445 1 166 . 1 1 18 18 HIS HB2 H 1 2.991 0.000 . 2 . . . . A 18 HIS HB2 . 30445 1 167 . 1 1 18 18 HIS HB3 H 1 2.925 0.000 . 2 . . . . A 18 HIS HB3 . 30445 1 168 . 1 1 18 18 HIS HD2 H 1 7.007 0.000 . 1 . . . . A 18 HIS HD2 . 30445 1 169 . 1 1 18 18 HIS C C 13 173.351 0.000 . 1 . . . . A 18 HIS C . 30445 1 170 . 1 1 18 18 HIS CA C 13 55.649 0.000 . 1 . . . . A 18 HIS CA . 30445 1 171 . 1 1 18 18 HIS CB C 13 32.803 0.000 . 1 . . . . A 18 HIS CB . 30445 1 172 . 1 1 18 18 HIS CD2 C 13 119.882 0.000 . 1 . . . . A 18 HIS CD2 . 30445 1 173 . 1 1 18 18 HIS N N 15 118.529 0.000 . 1 . . . . A 18 HIS N . 30445 1 174 . 1 1 19 19 ILE H H 1 7.934 0.000 . 1 . . . . A 19 ILE H . 30445 1 175 . 1 1 19 19 ILE HA H 1 4.298 0.000 . 1 . . . . A 19 ILE HA . 30445 1 176 . 1 1 19 19 ILE HB H 1 1.580 0.001 . 1 . . . . A 19 ILE HB . 30445 1 177 . 1 1 19 19 ILE HG12 H 1 1.254 0.005 . 2 . . . . A 19 ILE HG12 . 30445 1 178 . 1 1 19 19 ILE HG13 H 1 0.998 0.004 . 2 . . . . A 19 ILE HG13 . 30445 1 179 . 1 1 19 19 ILE HG21 H 1 0.551 0.003 . 1 . . . . A 19 ILE HG21 . 30445 1 180 . 1 1 19 19 ILE HG22 H 1 0.551 0.003 . 1 . . . . A 19 ILE HG22 . 30445 1 181 . 1 1 19 19 ILE HG23 H 1 0.551 0.003 . 1 . . . . A 19 ILE HG23 . 30445 1 182 . 1 1 19 19 ILE HD11 H 1 0.552 0.006 . 1 . . . . A 19 ILE HD11 . 30445 1 183 . 1 1 19 19 ILE HD12 H 1 0.552 0.006 . 1 . . . . A 19 ILE HD12 . 30445 1 184 . 1 1 19 19 ILE HD13 H 1 0.552 0.006 . 1 . . . . A 19 ILE HD13 . 30445 1 185 . 1 1 19 19 ILE C C 13 172.735 0.000 . 1 . . . . A 19 ILE C . 30445 1 186 . 1 1 19 19 ILE CA C 13 59.184 0.000 . 1 . . . . A 19 ILE CA . 30445 1 187 . 1 1 19 19 ILE CB C 13 40.897 0.000 . 1 . . . . A 19 ILE CB . 30445 1 188 . 1 1 19 19 ILE CG1 C 13 27.954 0.000 . 1 . . . . A 19 ILE CG1 . 30445 1 189 . 1 1 19 19 ILE CG2 C 13 17.188 0.000 . 1 . . . . A 19 ILE CG2 . 30445 1 190 . 1 1 19 19 ILE CD1 C 13 14.254 0.000 . 1 . . . . A 19 ILE CD1 . 30445 1 191 . 1 1 19 19 ILE N N 15 120.550 0.000 . 1 . . . . A 19 ILE N . 30445 1 192 . 1 1 20 20 SER H H 1 7.722 0.000 . 1 . . . . A 20 SER H . 30445 1 193 . 1 1 20 20 SER HA H 1 4.562 0.000 . 1 . . . . A 20 SER HA . 30445 1 194 . 1 1 20 20 SER HB2 H 1 3.786 0.000 . 2 . . . . A 20 SER HB2 . 30445 1 195 . 1 1 20 20 SER HB3 H 1 4.109 0.000 . 2 . . . . A 20 SER HB3 . 30445 1 196 . 1 1 20 20 SER C C 13 175.297 0.000 . 1 . . . . A 20 SER C . 30445 1 197 . 1 1 20 20 SER CA C 13 56.735 0.000 . 1 . . . . A 20 SER CA . 30445 1 198 . 1 1 20 20 SER CB C 13 65.174 0.000 . 1 . . . . A 20 SER CB . 30445 1 199 . 1 1 20 20 SER N N 15 119.267 0.000 . 1 . . . . A 20 SER N . 30445 1 200 . 1 1 21 21 ARG H H 1 8.939 0.000 . 1 . . . . A 21 ARG H . 30445 1 201 . 1 1 21 21 ARG HA H 1 3.749 0.000 . 1 . . . . A 21 ARG HA . 30445 1 202 . 1 1 21 21 ARG HB2 H 1 1.847 0.000 . 2 . . . . A 21 ARG HB2 . 30445 1 203 . 1 1 21 21 ARG HB3 H 1 1.847 0.000 . 2 . . . . A 21 ARG HB3 . 30445 1 204 . 1 1 21 21 ARG HG2 H 1 1.662 0.000 . 2 . . . . A 21 ARG HG2 . 30445 1 205 . 1 1 21 21 ARG HG3 H 1 1.662 0.000 . 2 . . . . A 21 ARG HG3 . 30445 1 206 . 1 1 21 21 ARG HD2 H 1 3.229 0.000 . 2 . . . . A 21 ARG HD2 . 30445 1 207 . 1 1 21 21 ARG HD3 H 1 3.229 0.000 . 2 . . . . A 21 ARG HD3 . 30445 1 208 . 1 1 21 21 ARG C C 13 178.308 0.000 . 1 . . . . A 21 ARG C . 30445 1 209 . 1 1 21 21 ARG CA C 13 59.487 0.000 . 1 . . . . A 21 ARG CA . 30445 1 210 . 1 1 21 21 ARG CB C 13 29.566 0.000 . 1 . . . . A 21 ARG CB . 30445 1 211 . 1 1 21 21 ARG CG C 13 27.914 0.000 . 1 . . . . A 21 ARG CG . 30445 1 212 . 1 1 21 21 ARG CD C 13 43.496 0.000 . 1 . . . . A 21 ARG CD . 30445 1 213 . 1 1 21 21 ARG N N 15 124.751 0.000 . 1 . . . . A 21 ARG N . 30445 1 214 . 1 1 22 22 ARG H H 1 8.020 0.002 . 1 . . . . A 22 ARG H . 30445 1 215 . 1 1 22 22 ARG HA H 1 3.963 0.000 . 1 . . . . A 22 ARG HA . 30445 1 216 . 1 1 22 22 ARG HB2 H 1 1.715 0.000 . 2 . . . . A 22 ARG HB2 . 30445 1 217 . 1 1 22 22 ARG HB3 H 1 1.715 0.000 . 2 . . . . A 22 ARG HB3 . 30445 1 218 . 1 1 22 22 ARG HG2 H 1 1.580 0.000 . 2 . . . . A 22 ARG HG2 . 30445 1 219 . 1 1 22 22 ARG HG3 H 1 1.580 0.000 . 2 . . . . A 22 ARG HG3 . 30445 1 220 . 1 1 22 22 ARG HD2 H 1 3.135 0.001 . 2 . . . . A 22 ARG HD2 . 30445 1 221 . 1 1 22 22 ARG HD3 H 1 3.135 0.001 . 2 . . . . A 22 ARG HD3 . 30445 1 222 . 1 1 22 22 ARG C C 13 178.544 0.000 . 1 . . . . A 22 ARG C . 30445 1 223 . 1 1 22 22 ARG CA C 13 58.729 0.000 . 1 . . . . A 22 ARG CA . 30445 1 224 . 1 1 22 22 ARG CB C 13 29.766 0.000 . 1 . . . . A 22 ARG CB . 30445 1 225 . 1 1 22 22 ARG CG C 13 26.653 0.000 . 1 . . . . A 22 ARG CG . 30445 1 226 . 1 1 22 22 ARG CD C 13 43.293 0.000 . 1 . . . . A 22 ARG CD . 30445 1 227 . 1 1 22 22 ARG N N 15 117.146 0.000 . 1 . . . . A 22 ARG N . 30445 1 228 . 1 1 23 23 LEU H H 1 7.216 0.000 . 1 . . . . A 23 LEU H . 30445 1 229 . 1 1 23 23 LEU HA H 1 3.933 0.000 . 1 . . . . A 23 LEU HA . 30445 1 230 . 1 1 23 23 LEU HB2 H 1 1.515 0.000 . 2 . . . . A 23 LEU HB2 . 30445 1 231 . 1 1 23 23 LEU HB3 H 1 1.515 0.000 . 2 . . . . A 23 LEU HB3 . 30445 1 232 . 1 1 23 23 LEU HG H 1 1.415 0.000 . 1 . . . . A 23 LEU HG . 30445 1 233 . 1 1 23 23 LEU HD11 H 1 0.785 0.000 . 2 . . . . A 23 LEU HD11 . 30445 1 234 . 1 1 23 23 LEU HD12 H 1 0.785 0.000 . 2 . . . . A 23 LEU HD12 . 30445 1 235 . 1 1 23 23 LEU HD13 H 1 0.785 0.000 . 2 . . . . A 23 LEU HD13 . 30445 1 236 . 1 1 23 23 LEU HD21 H 1 0.705 0.000 . 2 . . . . A 23 LEU HD21 . 30445 1 237 . 1 1 23 23 LEU HD22 H 1 0.705 0.000 . 2 . . . . A 23 LEU HD22 . 30445 1 238 . 1 1 23 23 LEU HD23 H 1 0.705 0.000 . 2 . . . . A 23 LEU HD23 . 30445 1 239 . 1 1 23 23 LEU C C 13 178.990 0.000 . 1 . . . . A 23 LEU C . 30445 1 240 . 1 1 23 23 LEU CA C 13 57.644 0.000 . 1 . . . . A 23 LEU CA . 30445 1 241 . 1 1 23 23 LEU CB C 13 42.111 0.000 . 1 . . . . A 23 LEU CB . 30445 1 242 . 1 1 23 23 LEU CG C 13 27.300 0.000 . 1 . . . . A 23 LEU CG . 30445 1 243 . 1 1 23 23 LEU CD1 C 13 24.387 0.000 . 1 . . . . A 23 LEU CD1 . 30445 1 244 . 1 1 23 23 LEU CD2 C 13 24.777 0.000 . 1 . . . . A 23 LEU CD2 . 30445 1 245 . 1 1 23 23 LEU N N 15 119.831 0.000 . 1 . . . . A 23 LEU N . 30445 1 246 . 1 1 24 24 LEU H H 1 7.061 0.000 . 1 . . . . A 24 LEU H . 30445 1 247 . 1 1 24 24 LEU HA H 1 3.431 0.000 . 1 . . . . A 24 LEU HA . 30445 1 248 . 1 1 24 24 LEU HB2 H 1 1.343 0.000 . 2 . . . . A 24 LEU HB2 . 30445 1 249 . 1 1 24 24 LEU HB3 H 1 0.187 0.000 . 2 . . . . A 24 LEU HB3 . 30445 1 250 . 1 1 24 24 LEU HG H 1 1.152 0.000 . 1 . . . . A 24 LEU HG . 30445 1 251 . 1 1 24 24 LEU HD11 H 1 0.258 0.000 . 2 . . . . A 24 LEU HD11 . 30445 1 252 . 1 1 24 24 LEU HD12 H 1 0.258 0.000 . 2 . . . . A 24 LEU HD12 . 30445 1 253 . 1 1 24 24 LEU HD13 H 1 0.258 0.000 . 2 . . . . A 24 LEU HD13 . 30445 1 254 . 1 1 24 24 LEU HD21 H 1 -0.265 0.000 . 2 . . . . A 24 LEU HD21 . 30445 1 255 . 1 1 24 24 LEU HD22 H 1 -0.265 0.000 . 2 . . . . A 24 LEU HD22 . 30445 1 256 . 1 1 24 24 LEU HD23 H 1 -0.265 0.000 . 2 . . . . A 24 LEU HD23 . 30445 1 257 . 1 1 24 24 LEU C C 13 178.790 0.000 . 1 . . . . A 24 LEU C . 30445 1 258 . 1 1 24 24 LEU CA C 13 56.963 0.000 . 1 . . . . A 24 LEU CA . 30445 1 259 . 1 1 24 24 LEU CB C 13 40.035 0.105 . 1 . . . . A 24 LEU CB . 30445 1 260 . 1 1 24 24 LEU CG C 13 25.991 0.000 . 1 . . . . A 24 LEU CG . 30445 1 261 . 1 1 24 24 LEU CD1 C 13 25.991 0.000 . 1 . . . . A 24 LEU CD1 . 30445 1 262 . 1 1 24 24 LEU CD2 C 13 22.957 0.000 . 1 . . . . A 24 LEU CD2 . 30445 1 263 . 1 1 24 24 LEU N N 15 116.339 0.000 . 1 . . . . A 24 LEU N . 30445 1 264 . 1 1 25 25 GLU H H 1 7.395 0.000 . 1 . . . . A 25 GLU H . 30445 1 265 . 1 1 25 25 GLU HA H 1 4.158 0.000 . 1 . . . . A 25 GLU HA . 30445 1 266 . 1 1 25 25 GLU HB2 H 1 2.121 0.000 . 2 . . . . A 25 GLU HB2 . 30445 1 267 . 1 1 25 25 GLU HB3 H 1 2.056 0.000 . 2 . . . . A 25 GLU HB3 . 30445 1 268 . 1 1 25 25 GLU HG2 H 1 2.454 0.000 . 2 . . . . A 25 GLU HG2 . 30445 1 269 . 1 1 25 25 GLU HG3 H 1 2.349 0.000 . 2 . . . . A 25 GLU HG3 . 30445 1 270 . 1 1 25 25 GLU C C 13 177.509 0.000 . 1 . . . . A 25 GLU C . 30445 1 271 . 1 1 25 25 GLU CA C 13 58.300 0.000 . 1 . . . . A 25 GLU CA . 30445 1 272 . 1 1 25 25 GLU CB C 13 30.289 0.000 . 1 . . . . A 25 GLU CB . 30445 1 273 . 1 1 25 25 GLU CG C 13 36.818 0.000 . 1 . . . . A 25 GLU CG . 30445 1 274 . 1 1 25 25 GLU N N 15 115.368 0.000 . 1 . . . . A 25 GLU N . 30445 1 275 . 1 1 26 26 ARG H H 1 7.598 0.000 . 1 . . . . A 26 ARG H . 30445 1 276 . 1 1 26 26 ARG HA H 1 4.466 0.002 . 1 . . . . A 26 ARG HA . 30445 1 277 . 1 1 26 26 ARG HB2 H 1 1.764 0.001 . 2 . . . . A 26 ARG HB2 . 30445 1 278 . 1 1 26 26 ARG HB3 H 1 2.075 0.000 . 2 . . . . A 26 ARG HB3 . 30445 1 279 . 1 1 26 26 ARG HG2 H 1 1.623 0.000 . 2 . . . . A 26 ARG HG2 . 30445 1 280 . 1 1 26 26 ARG HG3 H 1 1.705 0.000 . 2 . . . . A 26 ARG HG3 . 30445 1 281 . 1 1 26 26 ARG HD2 H 1 3.115 0.001 . 2 . . . . A 26 ARG HD2 . 30445 1 282 . 1 1 26 26 ARG HD3 H 1 3.115 0.001 . 2 . . . . A 26 ARG HD3 . 30445 1 283 . 1 1 26 26 ARG C C 13 175.624 0.000 . 1 . . . . A 26 ARG C . 30445 1 284 . 1 1 26 26 ARG CA C 13 54.815 0.000 . 1 . . . . A 26 ARG CA . 30445 1 285 . 1 1 26 26 ARG CB C 13 31.344 0.000 . 1 . . . . A 26 ARG CB . 30445 1 286 . 1 1 26 26 ARG CG C 13 27.509 0.000 . 1 . . . . A 26 ARG CG . 30445 1 287 . 1 1 26 26 ARG CD C 13 43.799 0.000 . 1 . . . . A 26 ARG CD . 30445 1 288 . 1 1 26 26 ARG N N 15 116.260 0.000 . 1 . . . . A 26 ARG N . 30445 1 289 . 1 1 27 27 VAL H H 1 7.123 0.000 . 1 . . . . A 27 VAL H . 30445 1 290 . 1 1 27 27 VAL HA H 1 3.933 0.000 . 1 . . . . A 27 VAL HA . 30445 1 291 . 1 1 27 27 VAL HB H 1 2.145 0.000 . 1 . . . . A 27 VAL HB . 30445 1 292 . 1 1 27 27 VAL HG11 H 1 1.005 0.000 . 2 . . . . A 27 VAL HG11 . 30445 1 293 . 1 1 27 27 VAL HG12 H 1 1.005 0.000 . 2 . . . . A 27 VAL HG12 . 30445 1 294 . 1 1 27 27 VAL HG13 H 1 1.005 0.000 . 2 . . . . A 27 VAL HG13 . 30445 1 295 . 1 1 27 27 VAL HG21 H 1 0.788 0.000 . 2 . . . . A 27 VAL HG21 . 30445 1 296 . 1 1 27 27 VAL HG22 H 1 0.788 0.000 . 2 . . . . A 27 VAL HG22 . 30445 1 297 . 1 1 27 27 VAL HG23 H 1 0.788 0.000 . 2 . . . . A 27 VAL HG23 . 30445 1 298 . 1 1 27 27 VAL C C 13 176.654 0.000 . 1 . . . . A 27 VAL C . 30445 1 299 . 1 1 27 27 VAL CA C 13 63.779 0.000 . 1 . . . . A 27 VAL CA . 30445 1 300 . 1 1 27 27 VAL CB C 13 33.016 0.042 . 1 . . . . A 27 VAL CB . 30445 1 301 . 1 1 27 27 VAL CG1 C 13 22.806 0.000 . 1 . . . . A 27 VAL CG1 . 30445 1 302 . 1 1 27 27 VAL CG2 C 13 24.777 0.000 . 1 . . . . A 27 VAL CG2 . 30445 1 303 . 1 1 27 27 VAL N N 15 120.886 0.000 . 1 . . . . A 27 VAL N . 30445 1 304 . 1 1 28 28 ASN H H 1 9.044 0.000 . 1 . . . . A 28 ASN H . 30445 1 305 . 1 1 28 28 ASN HA H 1 4.998 0.000 . 1 . . . . A 28 ASN HA . 30445 1 306 . 1 1 28 28 ASN HB2 H 1 2.829 0.000 . 2 . . . . A 28 ASN HB2 . 30445 1 307 . 1 1 28 28 ASN HB3 H 1 2.829 0.000 . 2 . . . . A 28 ASN HB3 . 30445 1 308 . 1 1 28 28 ASN HD21 H 1 7.687 0.000 . 2 . . . . A 28 ASN HD21 . 30445 1 309 . 1 1 28 28 ASN HD22 H 1 6.966 0.000 . 2 . . . . A 28 ASN HD22 . 30445 1 310 . 1 1 28 28 ASN C C 13 174.623 0.000 . 1 . . . . A 28 ASN C . 30445 1 311 . 1 1 28 28 ASN CA C 13 54.311 0.000 . 1 . . . . A 28 ASN CA . 30445 1 312 . 1 1 28 28 ASN CB C 13 40.932 0.000 . 1 . . . . A 28 ASN CB . 30445 1 313 . 1 1 28 28 ASN N N 15 123.647 0.000 . 1 . . . . A 28 ASN N . 30445 1 314 . 1 1 28 28 ASN ND2 N 15 112.223 0.000 . 1 . . . . A 28 ASN ND2 . 30445 1 315 . 1 1 29 29 MET H H 1 7.591 0.000 . 1 . . . . A 29 MET H . 30445 1 316 . 1 1 29 29 MET HA H 1 4.611 0.000 . 1 . . . . A 29 MET HA . 30445 1 317 . 1 1 29 29 MET HB2 H 1 1.827 0.000 . 2 . . . . A 29 MET HB2 . 30445 1 318 . 1 1 29 29 MET HB3 H 1 2.091 0.000 . 2 . . . . A 29 MET HB3 . 30445 1 319 . 1 1 29 29 MET HG2 H 1 2.361 0.000 . 2 . . . . A 29 MET HG2 . 30445 1 320 . 1 1 29 29 MET HG3 H 1 2.361 0.000 . 2 . . . . A 29 MET HG3 . 30445 1 321 . 1 1 29 29 MET C C 13 177.393 0.000 . 1 . . . . A 29 MET C . 30445 1 322 . 1 1 29 29 MET CA C 13 56.110 0.000 . 1 . . . . A 29 MET CA . 30445 1 323 . 1 1 29 29 MET CB C 13 35.717 0.000 . 1 . . . . A 29 MET CB . 30445 1 324 . 1 1 29 29 MET CG C 13 31.832 0.000 . 1 . . . . A 29 MET CG . 30445 1 325 . 1 1 29 29 MET N N 15 117.862 0.000 . 1 . . . . A 29 MET N . 30445 1 326 . 1 1 30 30 CYS H H 1 9.010 0.001 . 1 . . . . A 30 CYS H . 30445 1 327 . 1 1 30 30 CYS HA H 1 5.754 0.000 . 1 . . . . A 30 CYS HA . 30445 1 328 . 1 1 30 30 CYS HB2 H 1 3.212 0.002 . 2 . . . . A 30 CYS HB2 . 30445 1 329 . 1 1 30 30 CYS HB3 H 1 3.309 0.005 . 2 . . . . A 30 CYS HB3 . 30445 1 330 . 1 1 30 30 CYS C C 13 173.833 0.000 . 1 . . . . A 30 CYS C . 30445 1 331 . 1 1 30 30 CYS CA C 13 54.491 0.000 . 1 . . . . A 30 CYS CA . 30445 1 332 . 1 1 30 30 CYS CB C 13 49.309 0.000 . 1 . . . . A 30 CYS CB . 30445 1 333 . 1 1 30 30 CYS N N 15 122.725 0.000 . 1 . . . . A 30 CYS N . 30445 1 334 . 1 1 31 31 ARG H H 1 9.452 0.000 . 1 . . . . A 31 ARG H . 30445 1 335 . 1 1 31 31 ARG HA H 1 5.304 0.000 . 1 . . . . A 31 ARG HA . 30445 1 336 . 1 1 31 31 ARG HB2 H 1 1.794 0.000 . 2 . . . . A 31 ARG HB2 . 30445 1 337 . 1 1 31 31 ARG HB3 H 1 1.794 0.000 . 2 . . . . A 31 ARG HB3 . 30445 1 338 . 1 1 31 31 ARG HG2 H 1 1.592 0.000 . 2 . . . . A 31 ARG HG2 . 30445 1 339 . 1 1 31 31 ARG HG3 H 1 1.500 0.000 . 2 . . . . A 31 ARG HG3 . 30445 1 340 . 1 1 31 31 ARG HD2 H 1 3.242 0.000 . 2 . . . . A 31 ARG HD2 . 30445 1 341 . 1 1 31 31 ARG HD3 H 1 3.158 0.000 . 2 . . . . A 31 ARG HD3 . 30445 1 342 . 1 1 31 31 ARG C C 13 173.790 0.000 . 1 . . . . A 31 ARG C . 30445 1 343 . 1 1 31 31 ARG CA C 13 54.526 0.000 . 1 . . . . A 31 ARG CA . 30445 1 344 . 1 1 31 31 ARG CB C 13 35.278 0.000 . 1 . . . . A 31 ARG CB . 30445 1 345 . 1 1 31 31 ARG CG C 13 28.272 0.000 . 1 . . . . A 31 ARG CG . 30445 1 346 . 1 1 31 31 ARG CD C 13 43.809 0.000 . 1 . . . . A 31 ARG CD . 30445 1 347 . 1 1 31 31 ARG N N 15 125.037 0.000 . 1 . . . . A 31 ARG N . 30445 1 348 . 1 1 32 32 ILE H H 1 8.492 0.000 . 1 . . . . A 32 ILE H . 30445 1 349 . 1 1 32 32 ILE HA H 1 4.440 0.000 . 1 . . . . A 32 ILE HA . 30445 1 350 . 1 1 32 32 ILE HB H 1 1.785 0.000 . 1 . . . . A 32 ILE HB . 30445 1 351 . 1 1 32 32 ILE HG12 H 1 1.342 0.000 . 2 . . . . A 32 ILE HG12 . 30445 1 352 . 1 1 32 32 ILE HG13 H 1 1.143 0.000 . 2 . . . . A 32 ILE HG13 . 30445 1 353 . 1 1 32 32 ILE HG21 H 1 0.790 0.000 . 1 . . . . A 32 ILE HG21 . 30445 1 354 . 1 1 32 32 ILE HG22 H 1 0.790 0.000 . 1 . . . . A 32 ILE HG22 . 30445 1 355 . 1 1 32 32 ILE HG23 H 1 0.790 0.000 . 1 . . . . A 32 ILE HG23 . 30445 1 356 . 1 1 32 32 ILE HD11 H 1 0.737 0.000 . 1 . . . . A 32 ILE HD11 . 30445 1 357 . 1 1 32 32 ILE HD12 H 1 0.737 0.000 . 1 . . . . A 32 ILE HD12 . 30445 1 358 . 1 1 32 32 ILE HD13 H 1 0.737 0.000 . 1 . . . . A 32 ILE HD13 . 30445 1 359 . 1 1 32 32 ILE C C 13 175.054 0.000 . 1 . . . . A 32 ILE C . 30445 1 360 . 1 1 32 32 ILE CA C 13 60.057 0.000 . 1 . . . . A 32 ILE CA . 30445 1 361 . 1 1 32 32 ILE CB C 13 38.928 0.000 . 1 . . . . A 32 ILE CB . 30445 1 362 . 1 1 32 32 ILE CG1 C 13 27.893 0.000 . 1 . . . . A 32 ILE CG1 . 30445 1 363 . 1 1 32 32 ILE CG2 C 13 17.266 0.000 . 1 . . . . A 32 ILE CG2 . 30445 1 364 . 1 1 32 32 ILE CD1 C 13 12.100 0.000 . 1 . . . . A 32 ILE CD1 . 30445 1 365 . 1 1 32 32 ILE N N 15 121.612 0.000 . 1 . . . . A 32 ILE N . 30445 1 366 . 1 1 33 33 GLN H H 1 9.153 0.000 . 1 . . . . A 33 GLN H . 30445 1 367 . 1 1 33 33 GLN HA H 1 4.677 0.000 . 1 . . . . A 33 GLN HA . 30445 1 368 . 1 1 33 33 GLN HB2 H 1 2.030 0.000 . 2 . . . . A 33 GLN HB2 . 30445 1 369 . 1 1 33 33 GLN HB3 H 1 2.030 0.000 . 2 . . . . A 33 GLN HB3 . 30445 1 370 . 1 1 33 33 GLN HG2 H 1 2.387 0.000 . 2 . . . . A 33 GLN HG2 . 30445 1 371 . 1 1 33 33 GLN HG3 H 1 2.246 0.000 . 2 . . . . A 33 GLN HG3 . 30445 1 372 . 1 1 33 33 GLN HE21 H 1 8.687 0.000 . 2 . . . . A 33 GLN HE21 . 30445 1 373 . 1 1 33 33 GLN HE22 H 1 7.234 0.000 . 2 . . . . A 33 GLN HE22 . 30445 1 374 . 1 1 33 33 GLN C C 13 174.661 0.000 . 1 . . . . A 33 GLN C . 30445 1 375 . 1 1 33 33 GLN CA C 13 54.688 0.000 . 1 . . . . A 33 GLN CA . 30445 1 376 . 1 1 33 33 GLN CB C 13 32.156 0.000 . 1 . . . . A 33 GLN CB . 30445 1 377 . 1 1 33 33 GLN CG C 13 34.895 0.000 . 1 . . . . A 33 GLN CG . 30445 1 378 . 1 1 33 33 GLN N N 15 130.621 0.000 . 1 . . . . A 33 GLN N . 30445 1 379 . 1 1 33 33 GLN NE2 N 15 114.261 0.001 . 1 . . . . A 33 GLN NE2 . 30445 1 380 . 1 1 34 34 ARG H H 1 8.680 0.000 . 1 . . . . A 34 ARG H . 30445 1 381 . 1 1 34 34 ARG HA H 1 4.426 0.000 . 1 . . . . A 34 ARG HA . 30445 1 382 . 1 1 34 34 ARG HB2 H 1 1.794 0.000 . 2 . . . . A 34 ARG HB2 . 30445 1 383 . 1 1 34 34 ARG HB3 H 1 1.758 0.000 . 2 . . . . A 34 ARG HB3 . 30445 1 384 . 1 1 34 34 ARG HG2 H 1 1.606 0.000 . 2 . . . . A 34 ARG HG2 . 30445 1 385 . 1 1 34 34 ARG HG3 H 1 1.488 0.000 . 2 . . . . A 34 ARG HG3 . 30445 1 386 . 1 1 34 34 ARG HD2 H 1 3.113 0.000 . 2 . . . . A 34 ARG HD2 . 30445 1 387 . 1 1 34 34 ARG HD3 H 1 3.113 0.000 . 2 . . . . A 34 ARG HD3 . 30445 1 388 . 1 1 34 34 ARG C C 13 175.390 0.000 . 1 . . . . A 34 ARG C . 30445 1 389 . 1 1 34 34 ARG CA C 13 55.463 0.000 . 1 . . . . A 34 ARG CA . 30445 1 390 . 1 1 34 34 ARG CB C 13 33.127 0.000 . 1 . . . . A 34 ARG CB . 30445 1 391 . 1 1 34 34 ARG CG C 13 26.977 0.000 . 1 . . . . A 34 ARG CG . 30445 1 392 . 1 1 34 34 ARG CD C 13 43.630 0.000 . 1 . . . . A 34 ARG CD . 30445 1 393 . 1 1 34 34 ARG N N 15 126.813 0.000 . 1 . . . . A 34 ARG N . 30445 1 394 . 1 1 35 35 ALA H H 1 8.356 0.000 . 1 . . . . A 35 ALA H . 30445 1 395 . 1 1 35 35 ALA HA H 1 4.323 0.000 . 1 . . . . A 35 ALA HA . 30445 1 396 . 1 1 35 35 ALA HB1 H 1 1.165 0.000 . 1 . . . . A 35 ALA HB1 . 30445 1 397 . 1 1 35 35 ALA HB2 H 1 1.165 0.000 . 1 . . . . A 35 ALA HB2 . 30445 1 398 . 1 1 35 35 ALA HB3 H 1 1.165 0.000 . 1 . . . . A 35 ALA HB3 . 30445 1 399 . 1 1 35 35 ALA C C 13 176.654 0.000 . 1 . . . . A 35 ALA C . 30445 1 400 . 1 1 35 35 ALA CA C 13 51.710 0.000 . 1 . . . . A 35 ALA CA . 30445 1 401 . 1 1 35 35 ALA CB C 13 17.756 0.000 . 1 . . . . A 35 ALA CB . 30445 1 402 . 1 1 35 35 ALA N N 15 123.200 0.000 . 1 . . . . A 35 ALA N . 30445 1 403 . 1 1 36 36 ASP H H 1 8.291 0.000 . 1 . . . . A 36 ASP H . 30445 1 404 . 1 1 36 36 ASP HA H 1 4.599 0.000 . 1 . . . . A 36 ASP HA . 30445 1 405 . 1 1 36 36 ASP HB2 H 1 2.491 0.000 . 2 . . . . A 36 ASP HB2 . 30445 1 406 . 1 1 36 36 ASP HB3 H 1 2.928 0.000 . 2 . . . . A 36 ASP HB3 . 30445 1 407 . 1 1 36 36 ASP C C 13 176.278 0.000 . 1 . . . . A 36 ASP C . 30445 1 408 . 1 1 36 36 ASP CA C 13 53.250 0.000 . 1 . . . . A 36 ASP CA . 30445 1 409 . 1 1 36 36 ASP CB C 13 41.178 0.000 . 1 . . . . A 36 ASP CB . 30445 1 410 . 1 1 36 36 ASP N N 15 122.913 0.000 . 1 . . . . A 36 ASP N . 30445 1 411 . 1 1 37 37 GLY H H 1 8.160 0.000 . 1 . . . . A 37 GLY H . 30445 1 412 . 1 1 37 37 GLY HA2 H 1 3.904 0.000 . 2 . . . . A 37 GLY HA2 . 30445 1 413 . 1 1 37 37 GLY HA3 H 1 3.852 0.000 . 2 . . . . A 37 GLY HA3 . 30445 1 414 . 1 1 37 37 GLY C C 13 174.492 0.000 . 1 . . . . A 37 GLY C . 30445 1 415 . 1 1 37 37 GLY CA C 13 46.075 0.000 . 1 . . . . A 37 GLY CA . 30445 1 416 . 1 1 37 37 GLY N N 15 108.273 0.000 . 1 . . . . A 37 GLY N . 30445 1 417 . 1 1 38 38 ASP H H 1 8.453 0.000 . 1 . . . . A 38 ASP H . 30445 1 418 . 1 1 38 38 ASP HA H 1 4.565 0.000 . 1 . . . . A 38 ASP HA . 30445 1 419 . 1 1 38 38 ASP HB2 H 1 2.642 0.000 . 2 . . . . A 38 ASP HB2 . 30445 1 420 . 1 1 38 38 ASP HB3 H 1 2.642 0.000 . 2 . . . . A 38 ASP HB3 . 30445 1 421 . 1 1 38 38 ASP C C 13 176.245 0.000 . 1 . . . . A 38 ASP C . 30445 1 422 . 1 1 38 38 ASP CA C 13 56.382 0.000 . 1 . . . . A 38 ASP CA . 30445 1 423 . 1 1 38 38 ASP CB C 13 41.791 0.000 . 1 . . . . A 38 ASP CB . 30445 1 424 . 1 1 38 38 ASP N N 15 122.264 0.000 . 1 . . . . A 38 ASP N . 30445 1 425 . 1 1 39 39 CYS H H 1 7.986 0.000 . 1 . . . . A 39 CYS H . 30445 1 426 . 1 1 39 39 CYS HA H 1 4.955 0.000 . 1 . . . . A 39 CYS HA . 30445 1 427 . 1 1 39 39 CYS HB2 H 1 2.888 0.000 . 2 . . . . A 39 CYS HB2 . 30445 1 428 . 1 1 39 39 CYS HB3 H 1 3.435 0.000 . 2 . . . . A 39 CYS HB3 . 30445 1 429 . 1 1 39 39 CYS C C 13 173.942 0.000 . 1 . . . . A 39 CYS C . 30445 1 430 . 1 1 39 39 CYS CA C 13 52.511 0.000 . 1 . . . . A 39 CYS CA . 30445 1 431 . 1 1 39 39 CYS CB C 13 39.925 0.000 . 1 . . . . A 39 CYS CB . 30445 1 432 . 1 1 39 39 CYS N N 15 116.122 0.000 . 1 . . . . A 39 CYS N . 30445 1 433 . 1 1 40 40 ASP H H 1 8.094 0.000 . 1 . . . . A 40 ASP H . 30445 1 434 . 1 1 40 40 ASP HA H 1 4.644 0.000 . 1 . . . . A 40 ASP HA . 30445 1 435 . 1 1 40 40 ASP HB2 H 1 2.624 0.000 . 2 . . . . A 40 ASP HB2 . 30445 1 436 . 1 1 40 40 ASP HB3 H 1 2.624 0.000 . 2 . . . . A 40 ASP HB3 . 30445 1 437 . 1 1 40 40 ASP C C 13 175.269 0.000 . 1 . . . . A 40 ASP C . 30445 1 438 . 1 1 40 40 ASP CA C 13 55.197 0.000 . 1 . . . . A 40 ASP CA . 30445 1 439 . 1 1 40 40 ASP CB C 13 41.819 0.000 . 1 . . . . A 40 ASP CB . 30445 1 440 . 1 1 40 40 ASP N N 15 118.804 0.000 . 1 . . . . A 40 ASP N . 30445 1 441 . 1 1 41 41 LEU H H 1 7.377 0.000 . 1 . . . . A 41 LEU H . 30445 1 442 . 1 1 41 41 LEU HA H 1 4.520 0.000 . 1 . . . . A 41 LEU HA . 30445 1 443 . 1 1 41 41 LEU HB2 H 1 1.369 0.000 . 2 . . . . A 41 LEU HB2 . 30445 1 444 . 1 1 41 41 LEU HB3 H 1 1.369 0.000 . 2 . . . . A 41 LEU HB3 . 30445 1 445 . 1 1 41 41 LEU HG H 1 1.433 0.000 . 1 . . . . A 41 LEU HG . 30445 1 446 . 1 1 41 41 LEU HD11 H 1 0.757 0.000 . 2 . . . . A 41 LEU HD11 . 30445 1 447 . 1 1 41 41 LEU HD12 H 1 0.757 0.000 . 2 . . . . A 41 LEU HD12 . 30445 1 448 . 1 1 41 41 LEU HD13 H 1 0.757 0.000 . 2 . . . . A 41 LEU HD13 . 30445 1 449 . 1 1 41 41 LEU HD21 H 1 0.631 0.000 . 2 . . . . A 41 LEU HD21 . 30445 1 450 . 1 1 41 41 LEU HD22 H 1 0.631 0.000 . 2 . . . . A 41 LEU HD22 . 30445 1 451 . 1 1 41 41 LEU HD23 H 1 0.631 0.000 . 2 . . . . A 41 LEU HD23 . 30445 1 452 . 1 1 41 41 LEU C C 13 175.007 0.000 . 1 . . . . A 41 LEU C . 30445 1 453 . 1 1 41 41 LEU CA C 13 53.848 0.007 . 1 . . . . A 41 LEU CA . 30445 1 454 . 1 1 41 41 LEU CB C 13 45.568 0.000 . 1 . . . . A 41 LEU CB . 30445 1 455 . 1 1 41 41 LEU CG C 13 26.660 0.000 . 1 . . . . A 41 LEU CG . 30445 1 456 . 1 1 41 41 LEU CD1 C 13 24.711 0.000 . 1 . . . . A 41 LEU CD1 . 30445 1 457 . 1 1 41 41 LEU CD2 C 13 25.358 0.000 . 1 . . . . A 41 LEU CD2 . 30445 1 458 . 1 1 41 41 LEU N N 15 118.659 0.000 . 1 . . . . A 41 LEU N . 30445 1 459 . 1 1 42 42 ALA H H 1 8.355 0.000 . 1 . . . . A 42 ALA H . 30445 1 460 . 1 1 42 42 ALA HA H 1 4.603 0.000 . 1 . . . . A 42 ALA HA . 30445 1 461 . 1 1 42 42 ALA HB1 H 1 1.361 0.000 . 1 . . . . A 42 ALA HB1 . 30445 1 462 . 1 1 42 42 ALA HB2 H 1 1.361 0.000 . 1 . . . . A 42 ALA HB2 . 30445 1 463 . 1 1 42 42 ALA HB3 H 1 1.361 0.000 . 1 . . . . A 42 ALA HB3 . 30445 1 464 . 1 1 42 42 ALA C C 13 176.588 0.000 . 1 . . . . A 42 ALA C . 30445 1 465 . 1 1 42 42 ALA CA C 13 51.053 0.000 . 1 . . . . A 42 ALA CA . 30445 1 466 . 1 1 42 42 ALA CB C 13 19.665 0.000 . 1 . . . . A 42 ALA CB . 30445 1 467 . 1 1 42 42 ALA N N 15 126.611 0.000 . 1 . . . . A 42 ALA N . 30445 1 468 . 1 1 43 43 ALA H H 1 8.811 0.000 . 1 . . . . A 43 ALA H . 30445 1 469 . 1 1 43 43 ALA HA H 1 4.614 0.000 . 1 . . . . A 43 ALA HA . 30445 1 470 . 1 1 43 43 ALA HB1 H 1 1.052 0.000 . 1 . . . . A 43 ALA HB1 . 30445 1 471 . 1 1 43 43 ALA HB2 H 1 1.052 0.000 . 1 . . . . A 43 ALA HB2 . 30445 1 472 . 1 1 43 43 ALA HB3 H 1 1.052 0.000 . 1 . . . . A 43 ALA HB3 . 30445 1 473 . 1 1 43 43 ALA C C 13 175.025 0.000 . 1 . . . . A 43 ALA C . 30445 1 474 . 1 1 43 43 ALA CA C 13 52.063 0.000 . 1 . . . . A 43 ALA CA . 30445 1 475 . 1 1 43 43 ALA CB C 13 23.425 0.000 . 1 . . . . A 43 ALA CB . 30445 1 476 . 1 1 43 43 ALA N N 15 120.342 0.000 . 1 . . . . A 43 ALA N . 30445 1 477 . 1 1 44 44 VAL H H 1 9.038 0.000 . 1 . . . . A 44 VAL H . 30445 1 478 . 1 1 44 44 VAL HA H 1 4.298 0.000 . 1 . . . . A 44 VAL HA . 30445 1 479 . 1 1 44 44 VAL HB H 1 1.787 0.000 . 1 . . . . A 44 VAL HB . 30445 1 480 . 1 1 44 44 VAL HG11 H 1 0.871 0.000 . 2 . . . . A 44 VAL HG11 . 30445 1 481 . 1 1 44 44 VAL HG12 H 1 0.871 0.000 . 2 . . . . A 44 VAL HG12 . 30445 1 482 . 1 1 44 44 VAL HG13 H 1 0.871 0.000 . 2 . . . . A 44 VAL HG13 . 30445 1 483 . 1 1 44 44 VAL HG21 H 1 0.791 0.000 . 2 . . . . A 44 VAL HG21 . 30445 1 484 . 1 1 44 44 VAL HG22 H 1 0.791 0.000 . 2 . . . . A 44 VAL HG22 . 30445 1 485 . 1 1 44 44 VAL HG23 H 1 0.791 0.000 . 2 . . . . A 44 VAL HG23 . 30445 1 486 . 1 1 44 44 VAL C C 13 174.081 0.000 . 1 . . . . A 44 VAL C . 30445 1 487 . 1 1 44 44 VAL CA C 13 62.947 0.000 . 1 . . . . A 44 VAL CA . 30445 1 488 . 1 1 44 44 VAL CB C 13 32.836 0.000 . 1 . . . . A 44 VAL CB . 30445 1 489 . 1 1 44 44 VAL CG1 C 13 22.130 0.000 . 1 . . . . A 44 VAL CG1 . 30445 1 490 . 1 1 44 44 VAL CG2 C 13 20.822 0.000 . 1 . . . . A 44 VAL CG2 . 30445 1 491 . 1 1 44 44 VAL N N 15 122.155 0.000 . 1 . . . . A 44 VAL N . 30445 1 492 . 1 1 45 45 ILE H H 1 9.386 0.000 . 1 . . . . A 45 ILE H . 30445 1 493 . 1 1 45 45 ILE HA H 1 4.542 0.000 . 1 . . . . A 45 ILE HA . 30445 1 494 . 1 1 45 45 ILE HB H 1 1.848 0.000 . 1 . . . . A 45 ILE HB . 30445 1 495 . 1 1 45 45 ILE HG12 H 1 1.468 0.000 . 2 . . . . A 45 ILE HG12 . 30445 1 496 . 1 1 45 45 ILE HG13 H 1 1.060 0.000 . 2 . . . . A 45 ILE HG13 . 30445 1 497 . 1 1 45 45 ILE HG21 H 1 0.671 0.000 . 1 . . . . A 45 ILE HG21 . 30445 1 498 . 1 1 45 45 ILE HG22 H 1 0.671 0.000 . 1 . . . . A 45 ILE HG22 . 30445 1 499 . 1 1 45 45 ILE HG23 H 1 0.671 0.000 . 1 . . . . A 45 ILE HG23 . 30445 1 500 . 1 1 45 45 ILE HD11 H 1 0.881 0.001 . 1 . . . . A 45 ILE HD11 . 30445 1 501 . 1 1 45 45 ILE HD12 H 1 0.881 0.001 . 1 . . . . A 45 ILE HD12 . 30445 1 502 . 1 1 45 45 ILE HD13 H 1 0.881 0.001 . 1 . . . . A 45 ILE HD13 . 30445 1 503 . 1 1 45 45 ILE C C 13 175.222 0.000 . 1 . . . . A 45 ILE C . 30445 1 504 . 1 1 45 45 ILE CA C 13 61.335 0.000 . 1 . . . . A 45 ILE CA . 30445 1 505 . 1 1 45 45 ILE CB C 13 38.653 0.000 . 1 . . . . A 45 ILE CB . 30445 1 506 . 1 1 45 45 ILE CG1 C 13 28.272 0.000 . 1 . . . . A 45 ILE CG1 . 30445 1 507 . 1 1 45 45 ILE CG2 C 13 18.894 0.000 . 1 . . . . A 45 ILE CG2 . 30445 1 508 . 1 1 45 45 ILE CD1 C 13 14.694 0.000 . 1 . . . . A 45 ILE CD1 . 30445 1 509 . 1 1 45 45 ILE N N 15 127.797 0.000 . 1 . . . . A 45 ILE N . 30445 1 510 . 1 1 46 46 LEU H H 1 9.129 0.000 . 1 . . . . A 46 LEU H . 30445 1 511 . 1 1 46 46 LEU HA H 1 4.905 0.000 . 1 . . . . A 46 LEU HA . 30445 1 512 . 1 1 46 46 LEU HB2 H 1 1.713 0.000 . 2 . . . . A 46 LEU HB2 . 30445 1 513 . 1 1 46 46 LEU HB3 H 1 1.161 0.000 . 2 . . . . A 46 LEU HB3 . 30445 1 514 . 1 1 46 46 LEU HG H 1 1.536 0.000 . 1 . . . . A 46 LEU HG . 30445 1 515 . 1 1 46 46 LEU HD11 H 1 0.640 0.000 . 2 . . . . A 46 LEU HD11 . 30445 1 516 . 1 1 46 46 LEU HD12 H 1 0.640 0.000 . 2 . . . . A 46 LEU HD12 . 30445 1 517 . 1 1 46 46 LEU HD13 H 1 0.640 0.000 . 2 . . . . A 46 LEU HD13 . 30445 1 518 . 1 1 46 46 LEU HD21 H 1 0.411 0.000 . 2 . . . . A 46 LEU HD21 . 30445 1 519 . 1 1 46 46 LEU HD22 H 1 0.411 0.000 . 2 . . . . A 46 LEU HD22 . 30445 1 520 . 1 1 46 46 LEU HD23 H 1 0.411 0.000 . 2 . . . . A 46 LEU HD23 . 30445 1 521 . 1 1 46 46 LEU C C 13 175.821 0.000 . 1 . . . . A 46 LEU C . 30445 1 522 . 1 1 46 46 LEU CA C 13 52.872 0.000 . 1 . . . . A 46 LEU CA . 30445 1 523 . 1 1 46 46 LEU CB C 13 43.592 0.000 . 1 . . . . A 46 LEU CB . 30445 1 524 . 1 1 46 46 LEU CG C 13 26.653 0.000 . 1 . . . . A 46 LEU CG . 30445 1 525 . 1 1 46 46 LEU CD1 C 13 24.171 0.000 . 1 . . . . A 46 LEU CD1 . 30445 1 526 . 1 1 46 46 LEU CD2 C 13 26.977 0.000 . 1 . . . . A 46 LEU CD2 . 30445 1 527 . 1 1 46 46 LEU N N 15 126.602 0.000 . 1 . . . . A 46 LEU N . 30445 1 528 . 1 1 47 47 HIS H H 1 8.552 0.000 . 1 . . . . A 47 HIS H . 30445 1 529 . 1 1 47 47 HIS HA H 1 5.265 0.000 . 1 . . . . A 47 HIS HA . 30445 1 530 . 1 1 47 47 HIS HB2 H 1 3.063 0.000 . 2 . . . . A 47 HIS HB2 . 30445 1 531 . 1 1 47 47 HIS HB3 H 1 3.063 0.000 . 2 . . . . A 47 HIS HB3 . 30445 1 532 . 1 1 47 47 HIS HD2 H 1 6.531 0.000 . 1 . . . . A 47 HIS HD2 . 30445 1 533 . 1 1 47 47 HIS HE1 H 1 7.544 0.000 . 1 . . . . A 47 HIS HE1 . 30445 1 534 . 1 1 47 47 HIS C C 13 174.754 0.000 . 1 . . . . A 47 HIS C . 30445 1 535 . 1 1 47 47 HIS CA C 13 55.750 0.000 . 1 . . . . A 47 HIS CA . 30445 1 536 . 1 1 47 47 HIS CB C 13 31.300 0.000 . 1 . . . . A 47 HIS CB . 30445 1 537 . 1 1 47 47 HIS CD2 C 13 122.729 0.000 . 1 . . . . A 47 HIS CD2 . 30445 1 538 . 1 1 47 47 HIS CE1 C 13 138.001 0.000 . 1 . . . . A 47 HIS CE1 . 30445 1 539 . 1 1 47 47 HIS N N 15 121.357 0.000 . 1 . . . . A 47 HIS N . 30445 1 540 . 1 1 48 48 VAL H H 1 8.420 0.000 . 1 . . . . A 48 VAL H . 30445 1 541 . 1 1 48 48 VAL HA H 1 4.294 0.000 . 1 . . . . A 48 VAL HA . 30445 1 542 . 1 1 48 48 VAL HB H 1 1.843 0.000 . 1 . . . . A 48 VAL HB . 30445 1 543 . 1 1 48 48 VAL HG11 H 1 0.791 0.000 . 2 . . . . A 48 VAL HG11 . 30445 1 544 . 1 1 48 48 VAL HG12 H 1 0.791 0.000 . 2 . . . . A 48 VAL HG12 . 30445 1 545 . 1 1 48 48 VAL HG13 H 1 0.791 0.000 . 2 . . . . A 48 VAL HG13 . 30445 1 546 . 1 1 48 48 VAL HG21 H 1 0.667 0.000 . 2 . . . . A 48 VAL HG21 . 30445 1 547 . 1 1 48 48 VAL HG22 H 1 0.667 0.000 . 2 . . . . A 48 VAL HG22 . 30445 1 548 . 1 1 48 48 VAL HG23 H 1 0.667 0.000 . 2 . . . . A 48 VAL HG23 . 30445 1 549 . 1 1 48 48 VAL C C 13 175.344 0.000 . 1 . . . . A 48 VAL C . 30445 1 550 . 1 1 48 48 VAL CA C 13 61.154 0.000 . 1 . . . . A 48 VAL CA . 30445 1 551 . 1 1 48 48 VAL CB C 13 33.550 0.000 . 1 . . . . A 48 VAL CB . 30445 1 552 . 1 1 48 48 VAL CG1 C 13 21.168 0.000 . 1 . . . . A 48 VAL CG1 . 30445 1 553 . 1 1 48 48 VAL CG2 C 13 20.915 0.000 . 1 . . . . A 48 VAL CG2 . 30445 1 554 . 1 1 48 48 VAL N N 15 123.524 0.000 . 1 . . . . A 48 VAL N . 30445 1 555 . 1 1 49 49 LYS H H 1 9.155 0.000 . 1 . . . . A 49 LYS H . 30445 1 556 . 1 1 49 49 LYS HA H 1 3.764 0.000 . 1 . . . . A 49 LYS HA . 30445 1 557 . 1 1 49 49 LYS HB2 H 1 2.043 0.000 . 2 . . . . A 49 LYS HB2 . 30445 1 558 . 1 1 49 49 LYS HB3 H 1 1.890 0.000 . 2 . . . . A 49 LYS HB3 . 30445 1 559 . 1 1 49 49 LYS HG2 H 1 1.507 0.000 . 2 . . . . A 49 LYS HG2 . 30445 1 560 . 1 1 49 49 LYS HG3 H 1 1.421 0.000 . 2 . . . . A 49 LYS HG3 . 30445 1 561 . 1 1 49 49 LYS HD2 H 1 1.678 0.000 . 2 . . . . A 49 LYS HD2 . 30445 1 562 . 1 1 49 49 LYS HD3 H 1 1.678 0.000 . 2 . . . . A 49 LYS HD3 . 30445 1 563 . 1 1 49 49 LYS HE2 H 1 2.968 0.000 . 2 . . . . A 49 LYS HE2 . 30445 1 564 . 1 1 49 49 LYS HE3 H 1 2.968 0.000 . 2 . . . . A 49 LYS HE3 . 30445 1 565 . 1 1 49 49 LYS C C 13 176.420 0.000 . 1 . . . . A 49 LYS C . 30445 1 566 . 1 1 49 49 LYS CA C 13 58.931 0.000 . 1 . . . . A 49 LYS CA . 30445 1 567 . 1 1 49 49 LYS CB C 13 30.460 0.088 . 1 . . . . A 49 LYS CB . 30445 1 568 . 1 1 49 49 LYS CG C 13 25.682 0.000 . 1 . . . . A 49 LYS CG . 30445 1 569 . 1 1 49 49 LYS CD C 13 29.381 0.000 . 1 . . . . A 49 LYS CD . 30445 1 570 . 1 1 49 49 LYS CE C 13 42.734 0.000 . 1 . . . . A 49 LYS CE . 30445 1 571 . 1 1 49 49 LYS N N 15 125.472 0.000 . 1 . . . . A 49 LYS N . 30445 1 572 . 1 1 50 50 ARG H H 1 8.339 0.000 . 1 . . . . A 50 ARG H . 30445 1 573 . 1 1 50 50 ARG HA H 1 4.218 0.000 . 1 . . . . A 50 ARG HA . 30445 1 574 . 1 1 50 50 ARG HB2 H 1 2.083 0.002 . 2 . . . . A 50 ARG HB2 . 30445 1 575 . 1 1 50 50 ARG HB3 H 1 1.850 0.002 . 2 . . . . A 50 ARG HB3 . 30445 1 576 . 1 1 50 50 ARG HG2 H 1 1.636 0.000 . 2 . . . . A 50 ARG HG2 . 30445 1 577 . 1 1 50 50 ARG HG3 H 1 1.575 0.000 . 2 . . . . A 50 ARG HG3 . 30445 1 578 . 1 1 50 50 ARG HD2 H 1 3.174 0.002 . 2 . . . . A 50 ARG HD2 . 30445 1 579 . 1 1 50 50 ARG HD3 H 1 3.174 0.002 . 2 . . . . A 50 ARG HD3 . 30445 1 580 . 1 1 50 50 ARG C C 13 175.755 0.000 . 1 . . . . A 50 ARG C . 30445 1 581 . 1 1 50 50 ARG CA C 13 57.215 0.000 . 1 . . . . A 50 ARG CA . 30445 1 582 . 1 1 50 50 ARG CB C 13 29.743 0.000 . 1 . . . . A 50 ARG CB . 30445 1 583 . 1 1 50 50 ARG CG C 13 27.901 0.000 . 1 . . . . A 50 ARG CG . 30445 1 584 . 1 1 50 50 ARG CD C 13 43.486 0.000 . 1 . . . . A 50 ARG CD . 30445 1 585 . 1 1 50 50 ARG N N 15 118.596 0.000 . 1 . . . . A 50 ARG N . 30445 1 586 . 1 1 51 51 ARG H H 1 8.144 0.000 . 1 . . . . A 51 ARG H . 30445 1 587 . 1 1 51 51 ARG HA H 1 4.459 0.000 . 1 . . . . A 51 ARG HA . 30445 1 588 . 1 1 51 51 ARG HB2 H 1 1.801 0.000 . 2 . . . . A 51 ARG HB2 . 30445 1 589 . 1 1 51 51 ARG HB3 H 1 1.801 0.000 . 2 . . . . A 51 ARG HB3 . 30445 1 590 . 1 1 51 51 ARG HG2 H 1 1.584 0.000 . 2 . . . . A 51 ARG HG2 . 30445 1 591 . 1 1 51 51 ARG HG3 H 1 1.584 0.000 . 2 . . . . A 51 ARG HG3 . 30445 1 592 . 1 1 51 51 ARG HD2 H 1 3.127 0.000 . 2 . . . . A 51 ARG HD2 . 30445 1 593 . 1 1 51 51 ARG HD3 H 1 3.127 0.000 . 2 . . . . A 51 ARG HD3 . 30445 1 594 . 1 1 51 51 ARG C C 13 174.520 0.000 . 1 . . . . A 51 ARG C . 30445 1 595 . 1 1 51 51 ARG CA C 13 55.725 0.000 . 1 . . . . A 51 ARG CA . 30445 1 596 . 1 1 51 51 ARG CB C 13 32.480 0.000 . 1 . . . . A 51 ARG CB . 30445 1 597 . 1 1 51 51 ARG CG C 13 26.977 0.000 . 1 . . . . A 51 ARG CG . 30445 1 598 . 1 1 51 51 ARG CD C 13 44.204 0.000 . 1 . . . . A 51 ARG CD . 30445 1 599 . 1 1 51 51 ARG N N 15 120.670 0.000 . 1 . . . . A 51 ARG N . 30445 1 600 . 1 1 52 52 ARG H H 1 8.437 0.000 . 1 . . . . A 52 ARG H . 30445 1 601 . 1 1 52 52 ARG HA H 1 4.831 0.000 . 1 . . . . A 52 ARG HA . 30445 1 602 . 1 1 52 52 ARG HB2 H 1 1.459 0.000 . 2 . . . . A 52 ARG HB2 . 30445 1 603 . 1 1 52 52 ARG HB3 H 1 1.459 0.000 . 2 . . . . A 52 ARG HB3 . 30445 1 604 . 1 1 52 52 ARG HG2 H 1 1.059 0.000 . 2 . . . . A 52 ARG HG2 . 30445 1 605 . 1 1 52 52 ARG HG3 H 1 1.162 0.000 . 2 . . . . A 52 ARG HG3 . 30445 1 606 . 1 1 52 52 ARG HD2 H 1 2.971 0.000 . 2 . . . . A 52 ARG HD2 . 30445 1 607 . 1 1 52 52 ARG HD3 H 1 2.886 0.000 . 2 . . . . A 52 ARG HD3 . 30445 1 608 . 1 1 52 52 ARG C C 13 175.166 0.000 . 1 . . . . A 52 ARG C . 30445 1 609 . 1 1 52 52 ARG CA C 13 54.795 0.000 . 1 . . . . A 52 ARG CA . 30445 1 610 . 1 1 52 52 ARG CB C 13 32.173 0.000 . 1 . . . . A 52 ARG CB . 30445 1 611 . 1 1 52 52 ARG CG C 13 27.000 0.000 . 1 . . . . A 52 ARG CG . 30445 1 612 . 1 1 52 52 ARG CD C 13 44.131 0.000 . 1 . . . . A 52 ARG CD . 30445 1 613 . 1 1 52 52 ARG N N 15 124.022 0.000 . 1 . . . . A 52 ARG N . 30445 1 614 . 1 1 53 53 ILE H H 1 9.218 0.000 . 1 . . . . A 53 ILE H . 30445 1 615 . 1 1 53 53 ILE HA H 1 4.240 0.000 . 1 . . . . A 53 ILE HA . 30445 1 616 . 1 1 53 53 ILE HB H 1 1.576 0.000 . 1 . . . . A 53 ILE HB . 30445 1 617 . 1 1 53 53 ILE HG12 H 1 0.939 0.000 . 2 . . . . A 53 ILE HG12 . 30445 1 618 . 1 1 53 53 ILE HG13 H 1 1.284 0.000 . 2 . . . . A 53 ILE HG13 . 30445 1 619 . 1 1 53 53 ILE HG21 H 1 0.713 0.000 . 1 . . . . A 53 ILE HG21 . 30445 1 620 . 1 1 53 53 ILE HG22 H 1 0.713 0.000 . 1 . . . . A 53 ILE HG22 . 30445 1 621 . 1 1 53 53 ILE HG23 H 1 0.713 0.000 . 1 . . . . A 53 ILE HG23 . 30445 1 622 . 1 1 53 53 ILE HD11 H 1 0.634 0.000 . 1 . . . . A 53 ILE HD11 . 30445 1 623 . 1 1 53 53 ILE HD12 H 1 0.634 0.000 . 1 . . . . A 53 ILE HD12 . 30445 1 624 . 1 1 53 53 ILE HD13 H 1 0.634 0.000 . 1 . . . . A 53 ILE HD13 . 30445 1 625 . 1 1 53 53 ILE C C 13 174.380 0.000 . 1 . . . . A 53 ILE C . 30445 1 626 . 1 1 53 53 ILE CA C 13 60.786 0.000 . 1 . . . . A 53 ILE CA . 30445 1 627 . 1 1 53 53 ILE CB C 13 41.233 0.000 . 1 . . . . A 53 ILE CB . 30445 1 628 . 1 1 53 53 ILE CG1 C 13 28.389 0.000 . 1 . . . . A 53 ILE CG1 . 30445 1 629 . 1 1 53 53 ILE CG2 C 13 18.099 0.000 . 1 . . . . A 53 ILE CG2 . 30445 1 630 . 1 1 53 53 ILE CD1 C 13 14.371 0.000 . 1 . . . . A 53 ILE CD1 . 30445 1 631 . 1 1 53 53 ILE N N 15 126.673 0.000 . 1 . . . . A 53 ILE N . 30445 1 632 . 1 1 54 54 CYS H H 1 8.821 0.000 . 1 . . . . A 54 CYS H . 30445 1 633 . 1 1 54 54 CYS HA H 1 5.117 0.000 . 1 . . . . A 54 CYS HA . 30445 1 634 . 1 1 54 54 CYS HB2 H 1 3.599 0.000 . 2 . . . . A 54 CYS HB2 . 30445 1 635 . 1 1 54 54 CYS HB3 H 1 2.767 0.000 . 2 . . . . A 54 CYS HB3 . 30445 1 636 . 1 1 54 54 CYS C C 13 173.959 0.000 . 1 . . . . A 54 CYS C . 30445 1 637 . 1 1 54 54 CYS CA C 13 55.093 0.000 . 1 . . . . A 54 CYS CA . 30445 1 638 . 1 1 54 54 CYS CB C 13 46.227 0.000 . 1 . . . . A 54 CYS CB . 30445 1 639 . 1 1 54 54 CYS N N 15 126.050 0.000 . 1 . . . . A 54 CYS N . 30445 1 640 . 1 1 55 55 VAL H H 1 9.484 0.000 . 1 . . . . A 55 VAL H . 30445 1 641 . 1 1 55 55 VAL HA H 1 4.728 0.000 . 1 . . . . A 55 VAL HA . 30445 1 642 . 1 1 55 55 VAL HB H 1 1.875 0.000 . 1 . . . . A 55 VAL HB . 30445 1 643 . 1 1 55 55 VAL HG11 H 1 0.819 0.000 . 2 . . . . A 55 VAL HG11 . 30445 1 644 . 1 1 55 55 VAL HG12 H 1 0.819 0.000 . 2 . . . . A 55 VAL HG12 . 30445 1 645 . 1 1 55 55 VAL HG13 H 1 0.819 0.000 . 2 . . . . A 55 VAL HG13 . 30445 1 646 . 1 1 55 55 VAL HG21 H 1 0.727 0.000 . 2 . . . . A 55 VAL HG21 . 30445 1 647 . 1 1 55 55 VAL HG22 H 1 0.727 0.000 . 2 . . . . A 55 VAL HG22 . 30445 1 648 . 1 1 55 55 VAL HG23 H 1 0.727 0.000 . 2 . . . . A 55 VAL HG23 . 30445 1 649 . 1 1 55 55 VAL C C 13 174.183 0.000 . 1 . . . . A 55 VAL C . 30445 1 650 . 1 1 55 55 VAL CA C 13 60.129 0.000 . 1 . . . . A 55 VAL CA . 30445 1 651 . 1 1 55 55 VAL CB C 13 35.467 0.000 . 1 . . . . A 55 VAL CB . 30445 1 652 . 1 1 55 55 VAL CG1 C 13 21.900 0.000 . 1 . . . . A 55 VAL CG1 . 30445 1 653 . 1 1 55 55 VAL CG2 C 13 21.775 0.000 . 1 . . . . A 55 VAL CG2 . 30445 1 654 . 1 1 55 55 VAL N N 15 122.385 0.000 . 1 . . . . A 55 VAL N . 30445 1 655 . 1 1 56 56 SER H H 1 8.355 0.000 . 1 . . . . A 56 SER H . 30445 1 656 . 1 1 56 56 SER HA H 1 4.501 0.000 . 1 . . . . A 56 SER HA . 30445 1 657 . 1 1 56 56 SER HB2 H 1 3.793 0.000 . 2 . . . . A 56 SER HB2 . 30445 1 658 . 1 1 56 56 SER HB3 H 1 3.628 0.000 . 2 . . . . A 56 SER HB3 . 30445 1 659 . 1 1 56 56 SER C C 13 174.692 0.000 . 1 . . . . A 56 SER C . 30445 1 660 . 1 1 56 56 SER CA C 13 57.722 0.000 . 1 . . . . A 56 SER CA . 30445 1 661 . 1 1 56 56 SER CB C 13 64.825 0.000 . 1 . . . . A 56 SER CB . 30445 1 662 . 1 1 56 56 SER N N 15 118.596 0.000 . 1 . . . . A 56 SER N . 30445 1 663 . 1 1 57 57 PRO HA H 1 4.165 0.000 . 1 . . . . A 57 PRO HA . 30445 1 664 . 1 1 57 57 PRO HB2 H 1 1.498 0.000 . 2 . . . . A 57 PRO HB2 . 30445 1 665 . 1 1 57 57 PRO HB3 H 1 2.001 0.000 . 2 . . . . A 57 PRO HB3 . 30445 1 666 . 1 1 57 57 PRO HG2 H 1 1.397 0.000 . 2 . . . . A 57 PRO HG2 . 30445 1 667 . 1 1 57 57 PRO HG3 H 1 1.616 0.000 . 2 . . . . A 57 PRO HG3 . 30445 1 668 . 1 1 57 57 PRO HD2 H 1 3.660 0.000 . 2 . . . . A 57 PRO HD2 . 30445 1 669 . 1 1 57 57 PRO HD3 H 1 3.660 0.000 . 2 . . . . A 57 PRO HD3 . 30445 1 670 . 1 1 57 57 PRO C C 13 175.679 0.000 . 1 . . . . A 57 PRO C . 30445 1 671 . 1 1 57 57 PRO CA C 13 63.694 0.000 . 1 . . . . A 57 PRO CA . 30445 1 672 . 1 1 57 57 PRO CB C 13 31.832 0.000 . 1 . . . . A 57 PRO CB . 30445 1 673 . 1 1 57 57 PRO CG C 13 27.439 0.000 . 1 . . . . A 57 PRO CG . 30445 1 674 . 1 1 57 57 PRO CD C 13 51.254 0.000 . 1 . . . . A 57 PRO CD . 30445 1 675 . 1 1 58 58 HIS H H 1 7.537 0.000 . 1 . . . . A 58 HIS H . 30445 1 676 . 1 1 58 58 HIS HA H 1 4.547 0.000 . 1 . . . . A 58 HIS HA . 30445 1 677 . 1 1 58 58 HIS HB2 H 1 2.783 0.000 . 2 . . . . A 58 HIS HB2 . 30445 1 678 . 1 1 58 58 HIS HB3 H 1 3.259 0.000 . 2 . . . . A 58 HIS HB3 . 30445 1 679 . 1 1 58 58 HIS HD2 H 1 6.935 0.000 . 1 . . . . A 58 HIS HD2 . 30445 1 680 . 1 1 58 58 HIS C C 13 175.868 0.000 . 1 . . . . A 58 HIS C . 30445 1 681 . 1 1 58 58 HIS CA C 13 55.270 0.000 . 1 . . . . A 58 HIS CA . 30445 1 682 . 1 1 58 58 HIS CB C 13 30.866 0.000 . 1 . . . . A 58 HIS CB . 30445 1 683 . 1 1 58 58 HIS CD2 C 13 119.100 0.000 . 1 . . . . A 58 HIS CD2 . 30445 1 684 . 1 1 58 58 HIS N N 15 113.490 0.000 . 1 . . . . A 58 HIS N . 30445 1 685 . 1 1 59 59 ASN H H 1 7.314 0.000 . 1 . . . . A 59 ASN H . 30445 1 686 . 1 1 59 59 ASN HA H 1 4.558 0.000 . 1 . . . . A 59 ASN HA . 30445 1 687 . 1 1 59 59 ASN HB2 H 1 2.762 0.000 . 2 . . . . A 59 ASN HB2 . 30445 1 688 . 1 1 59 59 ASN HB3 H 1 2.656 0.000 . 2 . . . . A 59 ASN HB3 . 30445 1 689 . 1 1 59 59 ASN HD21 H 1 7.611 0.000 . 2 . . . . A 59 ASN HD21 . 30445 1 690 . 1 1 59 59 ASN HD22 H 1 7.474 0.000 . 2 . . . . A 59 ASN HD22 . 30445 1 691 . 1 1 59 59 ASN CA C 13 55.781 0.000 . 1 . . . . A 59 ASN CA . 30445 1 692 . 1 1 59 59 ASN CB C 13 40.250 0.000 . 1 . . . . A 59 ASN CB . 30445 1 693 . 1 1 59 59 ASN N N 15 120.376 0.000 . 1 . . . . A 59 ASN N . 30445 1 694 . 1 1 59 59 ASN ND2 N 15 113.733 0.000 . 1 . . . . A 59 ASN ND2 . 30445 1 695 . 1 1 60 60 HIS H H 1 8.316 0.000 . 1 . . . . A 60 HIS H . 30445 1 696 . 1 1 60 60 HIS HA H 1 4.162 0.000 . 1 . . . . A 60 HIS HA . 30445 1 697 . 1 1 60 60 HIS HB2 H 1 3.246 0.000 . 2 . . . . A 60 HIS HB2 . 30445 1 698 . 1 1 60 60 HIS HB3 H 1 3.183 0.000 . 2 . . . . A 60 HIS HB3 . 30445 1 699 . 1 1 60 60 HIS HD2 H 1 7.117 0.000 . 1 . . . . A 60 HIS HD2 . 30445 1 700 . 1 1 60 60 HIS C C 13 176.962 0.000 . 1 . . . . A 60 HIS C . 30445 1 701 . 1 1 60 60 HIS CA C 13 60.655 0.000 . 1 . . . . A 60 HIS CA . 30445 1 702 . 1 1 60 60 HIS CB C 13 30.970 0.000 . 1 . . . . A 60 HIS CB . 30445 1 703 . 1 1 60 60 HIS CD2 C 13 119.364 0.000 . 1 . . . . A 60 HIS CD2 . 30445 1 704 . 1 1 60 60 HIS N N 15 121.184 0.000 . 1 . . . . A 60 HIS N . 30445 1 705 . 1 1 61 61 THR H H 1 7.740 0.000 . 1 . . . . A 61 THR H . 30445 1 706 . 1 1 61 61 THR HA H 1 3.882 0.000 . 1 . . . . A 61 THR HA . 30445 1 707 . 1 1 61 61 THR HB H 1 4.308 0.000 . 1 . . . . A 61 THR HB . 30445 1 708 . 1 1 61 61 THR HG21 H 1 1.105 0.000 . 1 . . . . A 61 THR HG21 . 30445 1 709 . 1 1 61 61 THR HG22 H 1 1.105 0.000 . 1 . . . . A 61 THR HG22 . 30445 1 710 . 1 1 61 61 THR HG23 H 1 1.105 0.000 . 1 . . . . A 61 THR HG23 . 30445 1 711 . 1 1 61 61 THR C C 13 177.290 0.000 . 1 . . . . A 61 THR C . 30445 1 712 . 1 1 61 61 THR CA C 13 66.759 0.000 . 1 . . . . A 61 THR CA . 30445 1 713 . 1 1 61 61 THR CB C 13 68.434 0.000 . 1 . . . . A 61 THR CB . 30445 1 714 . 1 1 61 61 THR CG2 C 13 22.146 0.000 . 1 . . . . A 61 THR CG2 . 30445 1 715 . 1 1 61 61 THR N N 15 117.762 0.000 . 1 . . . . A 61 THR N . 30445 1 716 . 1 1 62 62 VAL H H 1 8.515 0.000 . 1 . . . . A 62 VAL H . 30445 1 717 . 1 1 62 62 VAL HA H 1 3.782 0.000 . 1 . . . . A 62 VAL HA . 30445 1 718 . 1 1 62 62 VAL HB H 1 2.105 0.000 . 1 . . . . A 62 VAL HB . 30445 1 719 . 1 1 62 62 VAL HG11 H 1 1.050 0.000 . 2 . . . . A 62 VAL HG11 . 30445 1 720 . 1 1 62 62 VAL HG12 H 1 1.050 0.000 . 2 . . . . A 62 VAL HG12 . 30445 1 721 . 1 1 62 62 VAL HG13 H 1 1.050 0.000 . 2 . . . . A 62 VAL HG13 . 30445 1 722 . 1 1 62 62 VAL HG21 H 1 0.856 0.000 . 2 . . . . A 62 VAL HG21 . 30445 1 723 . 1 1 62 62 VAL HG22 H 1 0.856 0.000 . 2 . . . . A 62 VAL HG22 . 30445 1 724 . 1 1 62 62 VAL HG23 H 1 0.856 0.000 . 2 . . . . A 62 VAL HG23 . 30445 1 725 . 1 1 62 62 VAL C C 13 176.145 0.000 . 1 . . . . A 62 VAL C . 30445 1 726 . 1 1 62 62 VAL CA C 13 66.456 0.000 . 1 . . . . A 62 VAL CA . 30445 1 727 . 1 1 62 62 VAL CB C 13 32.059 0.000 . 1 . . . . A 62 VAL CB . 30445 1 728 . 1 1 62 62 VAL CG1 C 13 21.337 0.000 . 1 . . . . A 62 VAL CG1 . 30445 1 729 . 1 1 62 62 VAL CG2 C 13 21.474 0.000 . 1 . . . . A 62 VAL CG2 . 30445 1 730 . 1 1 62 62 VAL N N 15 123.241 0.000 . 1 . . . . A 62 VAL N . 30445 1 731 . 1 1 63 63 LYS H H 1 8.314 0.000 . 1 . . . . A 63 LYS H . 30445 1 732 . 1 1 63 63 LYS HA H 1 3.999 0.000 . 1 . . . . A 63 LYS HA . 30445 1 733 . 1 1 63 63 LYS HB2 H 1 1.798 0.000 . 2 . . . . A 63 LYS HB2 . 30445 1 734 . 1 1 63 63 LYS HB3 H 1 1.798 0.000 . 2 . . . . A 63 LYS HB3 . 30445 1 735 . 1 1 63 63 LYS HG2 H 1 1.680 0.000 . 2 . . . . A 63 LYS HG2 . 30445 1 736 . 1 1 63 63 LYS HG3 H 1 1.680 0.000 . 2 . . . . A 63 LYS HG3 . 30445 1 737 . 1 1 63 63 LYS HD2 H 1 1.660 0.000 . 2 . . . . A 63 LYS HD2 . 30445 1 738 . 1 1 63 63 LYS HD3 H 1 1.660 0.000 . 2 . . . . A 63 LYS HD3 . 30445 1 739 . 1 1 63 63 LYS HE2 H 1 2.972 0.000 . 2 . . . . A 63 LYS HE2 . 30445 1 740 . 1 1 63 63 LYS HE3 H 1 2.972 0.000 . 2 . . . . A 63 LYS HE3 . 30445 1 741 . 1 1 63 63 LYS C C 13 179.900 0.000 . 1 . . . . A 63 LYS C . 30445 1 742 . 1 1 63 63 LYS CA C 13 60.826 0.000 . 1 . . . . A 63 LYS CA . 30445 1 743 . 1 1 63 63 LYS CB C 13 32.156 0.000 . 1 . . . . A 63 LYS CB . 30445 1 744 . 1 1 63 63 LYS CG C 13 25.690 0.000 . 1 . . . . A 63 LYS CG . 30445 1 745 . 1 1 63 63 LYS CD C 13 30.051 0.000 . 1 . . . . A 63 LYS CD . 30445 1 746 . 1 1 63 63 LYS CE C 13 41.543 0.000 . 1 . . . . A 63 LYS CE . 30445 1 747 . 1 1 63 63 LYS N N 15 121.354 0.000 . 1 . . . . A 63 LYS N . 30445 1 748 . 1 1 64 64 GLN H H 1 8.045 0.000 . 1 . . . . A 64 GLN H . 30445 1 749 . 1 1 64 64 GLN HA H 1 4.026 0.000 . 1 . . . . A 64 GLN HA . 30445 1 750 . 1 1 64 64 GLN HB2 H 1 2.126 0.000 . 2 . . . . A 64 GLN HB2 . 30445 1 751 . 1 1 64 64 GLN HB3 H 1 2.126 0.000 . 2 . . . . A 64 GLN HB3 . 30445 1 752 . 1 1 64 64 GLN HG2 H 1 2.374 0.000 . 2 . . . . A 64 GLN HG2 . 30445 1 753 . 1 1 64 64 GLN HG3 H 1 2.306 0.000 . 2 . . . . A 64 GLN HG3 . 30445 1 754 . 1 1 64 64 GLN HE21 H 1 7.253 0.000 . 2 . . . . A 64 GLN HE21 . 30445 1 755 . 1 1 64 64 GLN HE22 H 1 6.880 0.000 . 2 . . . . A 64 GLN HE22 . 30445 1 756 . 1 1 64 64 GLN C C 13 177.879 0.000 . 1 . . . . A 64 GLN C . 30445 1 757 . 1 1 64 64 GLN CA C 13 58.982 0.000 . 1 . . . . A 64 GLN CA . 30445 1 758 . 1 1 64 64 GLN CB C 13 28.555 0.000 . 1 . . . . A 64 GLN CB . 30445 1 759 . 1 1 64 64 GLN CG C 13 33.782 0.000 . 1 . . . . A 64 GLN CG . 30445 1 760 . 1 1 64 64 GLN N N 15 118.813 0.000 . 1 . . . . A 64 GLN N . 30445 1 761 . 1 1 64 64 GLN NE2 N 15 111.859 0.001 . 1 . . . . A 64 GLN NE2 . 30445 1 762 . 1 1 65 65 TRP H H 1 7.969 0.000 . 1 . . . . A 65 TRP H . 30445 1 763 . 1 1 65 65 TRP HA H 1 4.267 0.000 . 1 . . . . A 65 TRP HA . 30445 1 764 . 1 1 65 65 TRP HB2 H 1 3.241 0.000 . 2 . . . . A 65 TRP HB2 . 30445 1 765 . 1 1 65 65 TRP HB3 H 1 3.530 0.000 . 2 . . . . A 65 TRP HB3 . 30445 1 766 . 1 1 65 65 TRP HD1 H 1 7.222 0.000 . 1 . . . . A 65 TRP HD1 . 30445 1 767 . 1 1 65 65 TRP HE1 H 1 10.007 0.000 . 1 . . . . A 65 TRP HE1 . 30445 1 768 . 1 1 65 65 TRP HE3 H 1 7.548 0.000 . 1 . . . . A 65 TRP HE3 . 30445 1 769 . 1 1 65 65 TRP HZ2 H 1 7.314 0.000 . 1 . . . . A 65 TRP HZ2 . 30445 1 770 . 1 1 65 65 TRP HZ3 H 1 6.779 0.000 . 1 . . . . A 65 TRP HZ3 . 30445 1 771 . 1 1 65 65 TRP HH2 H 1 6.849 0.000 . 1 . . . . A 65 TRP HH2 . 30445 1 772 . 1 1 65 65 TRP C C 13 178.104 0.000 . 1 . . . . A 65 TRP C . 30445 1 773 . 1 1 65 65 TRP CA C 13 61.633 0.000 . 1 . . . . A 65 TRP CA . 30445 1 774 . 1 1 65 65 TRP CB C 13 29.264 0.000 . 1 . . . . A 65 TRP CB . 30445 1 775 . 1 1 65 65 TRP CD1 C 13 127.129 0.000 . 1 . . . . A 65 TRP CD1 . 30445 1 776 . 1 1 65 65 TRP CE3 C 13 120.400 0.000 . 1 . . . . A 65 TRP CE3 . 30445 1 777 . 1 1 65 65 TRP CZ2 C 13 114.705 0.000 . 1 . . . . A 65 TRP CZ2 . 30445 1 778 . 1 1 65 65 TRP CZ3 C 13 121.435 0.000 . 1 . . . . A 65 TRP CZ3 . 30445 1 779 . 1 1 65 65 TRP CH2 C 13 124.282 0.000 . 1 . . . . A 65 TRP CH2 . 30445 1 780 . 1 1 65 65 TRP N N 15 121.887 0.000 . 1 . . . . A 65 TRP N . 30445 1 781 . 1 1 65 65 TRP NE1 N 15 130.898 0.000 . 1 . . . . A 65 TRP NE1 . 30445 1 782 . 1 1 66 66 MET H H 1 8.875 0.000 . 1 . . . . A 66 MET H . 30445 1 783 . 1 1 66 66 MET HA H 1 3.410 0.000 . 1 . . . . A 66 MET HA . 30445 1 784 . 1 1 66 66 MET HB2 H 1 2.199 0.000 . 2 . . . . A 66 MET HB2 . 30445 1 785 . 1 1 66 66 MET HB3 H 1 1.998 0.000 . 2 . . . . A 66 MET HB3 . 30445 1 786 . 1 1 66 66 MET HG2 H 1 3.093 0.000 . 2 . . . . A 66 MET HG2 . 30445 1 787 . 1 1 66 66 MET HG3 H 1 2.473 0.000 . 2 . . . . A 66 MET HG3 . 30445 1 788 . 1 1 66 66 MET C C 13 178.955 0.000 . 1 . . . . A 66 MET C . 30445 1 789 . 1 1 66 66 MET CA C 13 59.891 0.000 . 1 . . . . A 66 MET CA . 30445 1 790 . 1 1 66 66 MET CB C 13 33.451 0.000 . 1 . . . . A 66 MET CB . 30445 1 791 . 1 1 66 66 MET CG C 13 33.276 0.000 . 1 . . . . A 66 MET CG . 30445 1 792 . 1 1 66 66 MET N N 15 118.164 0.000 . 1 . . . . A 66 MET N . 30445 1 793 . 1 1 67 67 LYS H H 1 7.545 0.000 . 1 . . . . A 67 LYS H . 30445 1 794 . 1 1 67 67 LYS HA H 1 3.932 0.000 . 1 . . . . A 67 LYS HA . 30445 1 795 . 1 1 67 67 LYS HB2 H 1 1.915 0.000 . 2 . . . . A 67 LYS HB2 . 30445 1 796 . 1 1 67 67 LYS HB3 H 1 1.915 0.000 . 2 . . . . A 67 LYS HB3 . 30445 1 797 . 1 1 67 67 LYS HG2 H 1 1.535 0.000 . 2 . . . . A 67 LYS HG2 . 30445 1 798 . 1 1 67 67 LYS HG3 H 1 1.336 0.000 . 2 . . . . A 67 LYS HG3 . 30445 1 799 . 1 1 67 67 LYS HD2 H 1 1.631 0.000 . 2 . . . . A 67 LYS HD2 . 30445 1 800 . 1 1 67 67 LYS HD3 H 1 1.631 0.000 . 2 . . . . A 67 LYS HD3 . 30445 1 801 . 1 1 67 67 LYS HE2 H 1 2.912 0.000 . 2 . . . . A 67 LYS HE2 . 30445 1 802 . 1 1 67 67 LYS HE3 H 1 2.912 0.000 . 2 . . . . A 67 LYS HE3 . 30445 1 803 . 1 1 67 67 LYS C C 13 179.386 0.000 . 1 . . . . A 67 LYS C . 30445 1 804 . 1 1 67 67 LYS CA C 13 59.729 0.000 . 1 . . . . A 67 LYS CA . 30445 1 805 . 1 1 67 67 LYS CB C 13 32.480 0.000 . 1 . . . . A 67 LYS CB . 30445 1 806 . 1 1 67 67 LYS CG C 13 25.358 0.000 . 1 . . . . A 67 LYS CG . 30445 1 807 . 1 1 67 67 LYS CD C 13 30.214 0.000 . 1 . . . . A 67 LYS CD . 30445 1 808 . 1 1 67 67 LYS CE C 13 42.531 0.000 . 1 . . . . A 67 LYS CE . 30445 1 809 . 1 1 67 67 LYS N N 15 119.759 0.000 . 1 . . . . A 67 LYS N . 30445 1 810 . 1 1 68 68 VAL H H 1 7.811 0.000 . 1 . . . . A 68 VAL H . 30445 1 811 . 1 1 68 68 VAL HA H 1 3.625 0.000 . 1 . . . . A 68 VAL HA . 30445 1 812 . 1 1 68 68 VAL HB H 1 2.116 0.000 . 1 . . . . A 68 VAL HB . 30445 1 813 . 1 1 68 68 VAL HG11 H 1 1.034 0.000 . 2 . . . . A 68 VAL HG11 . 30445 1 814 . 1 1 68 68 VAL HG12 H 1 1.034 0.000 . 2 . . . . A 68 VAL HG12 . 30445 1 815 . 1 1 68 68 VAL HG13 H 1 1.034 0.000 . 2 . . . . A 68 VAL HG13 . 30445 1 816 . 1 1 68 68 VAL HG21 H 1 0.852 0.000 . 2 . . . . A 68 VAL HG21 . 30445 1 817 . 1 1 68 68 VAL HG22 H 1 0.852 0.000 . 2 . . . . A 68 VAL HG22 . 30445 1 818 . 1 1 68 68 VAL HG23 H 1 0.852 0.000 . 2 . . . . A 68 VAL HG23 . 30445 1 819 . 1 1 68 68 VAL C C 13 179.432 0.000 . 1 . . . . A 68 VAL C . 30445 1 820 . 1 1 68 68 VAL CA C 13 66.237 0.000 . 1 . . . . A 68 VAL CA . 30445 1 821 . 1 1 68 68 VAL CB C 13 31.837 0.000 . 1 . . . . A 68 VAL CB . 30445 1 822 . 1 1 68 68 VAL CG1 C 13 22.400 0.000 . 1 . . . . A 68 VAL CG1 . 30445 1 823 . 1 1 68 68 VAL CG2 C 13 21.194 0.000 . 1 . . . . A 68 VAL CG2 . 30445 1 824 . 1 1 68 68 VAL N N 15 120.679 0.000 . 1 . . . . A 68 VAL N . 30445 1 825 . 1 1 69 69 GLN H H 1 8.088 0.000 . 1 . . . . A 69 GLN H . 30445 1 826 . 1 1 69 69 GLN HA H 1 3.621 0.000 . 1 . . . . A 69 GLN HA . 30445 1 827 . 1 1 69 69 GLN HB2 H 1 1.443 0.000 . 2 . . . . A 69 GLN HB2 . 30445 1 828 . 1 1 69 69 GLN HB3 H 1 1.663 0.000 . 2 . . . . A 69 GLN HB3 . 30445 1 829 . 1 1 69 69 GLN HG2 H 1 1.465 0.000 . 2 . . . . A 69 GLN HG2 . 30445 1 830 . 1 1 69 69 GLN HG3 H 1 1.101 0.000 . 2 . . . . A 69 GLN HG3 . 30445 1 831 . 1 1 69 69 GLN HE21 H 1 6.202 0.000 . 2 . . . . A 69 GLN HE21 . 30445 1 832 . 1 1 69 69 GLN HE22 H 1 6.865 0.000 . 2 . . . . A 69 GLN HE22 . 30445 1 833 . 1 1 69 69 GLN C C 13 178.506 0.000 . 1 . . . . A 69 GLN C . 30445 1 834 . 1 1 69 69 GLN CA C 13 57.862 0.000 . 1 . . . . A 69 GLN CA . 30445 1 835 . 1 1 69 69 GLN CB C 13 28.343 0.000 . 1 . . . . A 69 GLN CB . 30445 1 836 . 1 1 69 69 GLN CG C 13 32.482 0.002 . 1 . . . . A 69 GLN CG . 30445 1 837 . 1 1 69 69 GLN N N 15 118.101 0.000 . 1 . . . . A 69 GLN N . 30445 1 838 . 1 1 69 69 GLN NE2 N 15 113.743 0.002 . 1 . . . . A 69 GLN NE2 . 30445 1 839 . 1 1 70 70 ALA H H 1 7.701 0.000 . 1 . . . . A 70 ALA H . 30445 1 840 . 1 1 70 70 ALA HA H 1 3.893 0.000 . 1 . . . . A 70 ALA HA . 30445 1 841 . 1 1 70 70 ALA HB1 H 1 1.343 0.000 . 1 . . . . A 70 ALA HB1 . 30445 1 842 . 1 1 70 70 ALA HB2 H 1 1.343 0.000 . 1 . . . . A 70 ALA HB2 . 30445 1 843 . 1 1 70 70 ALA HB3 H 1 1.343 0.000 . 1 . . . . A 70 ALA HB3 . 30445 1 844 . 1 1 70 70 ALA C C 13 178.394 0.000 . 1 . . . . A 70 ALA C . 30445 1 845 . 1 1 70 70 ALA CA C 13 54.199 0.000 . 1 . . . . A 70 ALA CA . 30445 1 846 . 1 1 70 70 ALA CB C 13 18.267 0.000 . 1 . . . . A 70 ALA CB . 30445 1 847 . 1 1 70 70 ALA N N 15 119.775 0.000 . 1 . . . . A 70 ALA N . 30445 1 848 . 1 1 71 71 ALA H H 1 7.248 0.000 . 1 . . . . A 71 ALA H . 30445 1 849 . 1 1 71 71 ALA HA H 1 4.228 0.000 . 1 . . . . A 71 ALA HA . 30445 1 850 . 1 1 71 71 ALA HB1 H 1 1.388 0.000 . 1 . . . . A 71 ALA HB1 . 30445 1 851 . 1 1 71 71 ALA HB2 H 1 1.388 0.000 . 1 . . . . A 71 ALA HB2 . 30445 1 852 . 1 1 71 71 ALA HB3 H 1 1.388 0.000 . 1 . . . . A 71 ALA HB3 . 30445 1 853 . 1 1 71 71 ALA C C 13 178.581 0.000 . 1 . . . . A 71 ALA C . 30445 1 854 . 1 1 71 71 ALA CA C 13 52.873 0.000 . 1 . . . . A 71 ALA CA . 30445 1 855 . 1 1 71 71 ALA CB C 13 19.058 0.000 . 1 . . . . A 71 ALA CB . 30445 1 856 . 1 1 71 71 ALA N N 15 118.697 0.000 . 1 . . . . A 71 ALA N . 30445 1 857 . 1 1 72 72 LYS H H 1 7.232 0.000 . 1 . . . . A 72 LYS H . 30445 1 858 . 1 1 72 72 LYS HA H 1 4.106 0.000 . 1 . . . . A 72 LYS HA . 30445 1 859 . 1 1 72 72 LYS HB2 H 1 1.739 0.000 . 2 . . . . A 72 LYS HB2 . 30445 1 860 . 1 1 72 72 LYS HB3 H 1 1.739 0.000 . 2 . . . . A 72 LYS HB3 . 30445 1 861 . 1 1 72 72 LYS HG2 H 1 1.383 0.000 . 2 . . . . A 72 LYS HG2 . 30445 1 862 . 1 1 72 72 LYS HG3 H 1 1.383 0.000 . 2 . . . . A 72 LYS HG3 . 30445 1 863 . 1 1 72 72 LYS HD2 H 1 1.561 0.000 . 2 . . . . A 72 LYS HD2 . 30445 1 864 . 1 1 72 72 LYS HD3 H 1 1.561 0.000 . 2 . . . . A 72 LYS HD3 . 30445 1 865 . 1 1 72 72 LYS HE2 H 1 2.856 0.000 . 2 . . . . A 72 LYS HE2 . 30445 1 866 . 1 1 72 72 LYS HE3 H 1 2.856 0.000 . 2 . . . . A 72 LYS HE3 . 30445 1 867 . 1 1 72 72 LYS C C 13 176.286 0.000 . 1 . . . . A 72 LYS C . 30445 1 868 . 1 1 72 72 LYS CA C 13 57.574 0.000 . 1 . . . . A 72 LYS CA . 30445 1 869 . 1 1 72 72 LYS CB C 13 33.127 0.000 . 1 . . . . A 72 LYS CB . 30445 1 870 . 1 1 72 72 LYS CG C 13 25.682 0.000 . 1 . . . . A 72 LYS CG . 30445 1 871 . 1 1 72 72 LYS CD C 13 29.566 0.000 . 1 . . . . A 72 LYS CD . 30445 1 872 . 1 1 72 72 LYS CE C 13 42.191 0.000 . 1 . . . . A 72 LYS CE . 30445 1 873 . 1 1 72 72 LYS N N 15 118.697 0.000 . 1 . . . . A 72 LYS N . 30445 1 874 . 1 1 73 73 LYS H H 1 8.153 0.000 . 1 . . . . A 73 LYS H . 30445 1 875 . 1 1 73 73 LYS HA H 1 4.232 0.000 . 1 . . . . A 73 LYS HA . 30445 1 876 . 1 1 73 73 LYS HB2 H 1 1.906 0.000 . 2 . . . . A 73 LYS HB2 . 30445 1 877 . 1 1 73 73 LYS HB3 H 1 1.782 0.000 . 2 . . . . A 73 LYS HB3 . 30445 1 878 . 1 1 73 73 LYS HG2 H 1 1.352 0.003 . 2 . . . . A 73 LYS HG2 . 30445 1 879 . 1 1 73 73 LYS HG3 H 1 1.352 0.003 . 2 . . . . A 73 LYS HG3 . 30445 1 880 . 1 1 73 73 LYS HD2 H 1 1.675 0.000 . 2 . . . . A 73 LYS HD2 . 30445 1 881 . 1 1 73 73 LYS HD3 H 1 1.675 0.000 . 2 . . . . A 73 LYS HD3 . 30445 1 882 . 1 1 73 73 LYS HE2 H 1 2.964 0.000 . 2 . . . . A 73 LYS HE2 . 30445 1 883 . 1 1 73 73 LYS HE3 H 1 2.964 0.000 . 2 . . . . A 73 LYS HE3 . 30445 1 884 . 1 1 73 73 LYS C C 13 176.993 0.000 . 1 . . . . A 73 LYS C . 30445 1 885 . 1 1 73 73 LYS CA C 13 56.772 0.000 . 1 . . . . A 73 LYS CA . 30445 1 886 . 1 1 73 73 LYS CB C 13 32.931 0.000 . 1 . . . . A 73 LYS CB . 30445 1 887 . 1 1 73 73 LYS CG C 13 25.039 0.000 . 1 . . . . A 73 LYS CG . 30445 1 888 . 1 1 73 73 LYS CD C 13 29.133 0.000 . 1 . . . . A 73 LYS CD . 30445 1 889 . 1 1 73 73 LYS CE C 13 42.779 0.000 . 1 . . . . A 73 LYS CE . 30445 1 890 . 1 1 73 73 LYS N N 15 123.074 0.000 . 1 . . . . A 73 LYS N . 30445 1 891 . 1 1 74 74 ASN H H 1 8.378 0.000 . 1 . . . . A 74 ASN H . 30445 1 892 . 1 1 74 74 ASN HA H 1 4.514 0.000 . 1 . . . . A 74 ASN HA . 30445 1 893 . 1 1 74 74 ASN HB2 H 1 2.914 0.000 . 2 . . . . A 74 ASN HB2 . 30445 1 894 . 1 1 74 74 ASN HB3 H 1 2.801 0.000 . 2 . . . . A 74 ASN HB3 . 30445 1 895 . 1 1 74 74 ASN HD21 H 1 7.551 0.000 . 2 . . . . A 74 ASN HD21 . 30445 1 896 . 1 1 74 74 ASN HD22 H 1 6.873 0.000 . 2 . . . . A 74 ASN HD22 . 30445 1 897 . 1 1 74 74 ASN C C 13 175.580 0.000 . 1 . . . . A 74 ASN C . 30445 1 898 . 1 1 74 74 ASN CA C 13 54.163 0.000 . 1 . . . . A 74 ASN CA . 30445 1 899 . 1 1 74 74 ASN CB C 13 37.983 0.000 . 1 . . . . A 74 ASN CB . 30445 1 900 . 1 1 74 74 ASN N N 15 116.989 0.000 . 1 . . . . A 74 ASN N . 30445 1 901 . 1 1 74 74 ASN ND2 N 15 112.779 0.000 . 1 . . . . A 74 ASN ND2 . 30445 1 902 . 1 1 75 75 GLY H H 1 8.275 0.000 . 1 . . . . A 75 GLY H . 30445 1 903 . 1 1 75 75 GLY HA2 H 1 4.013 0.000 . 2 . . . . A 75 GLY HA2 . 30445 1 904 . 1 1 75 75 GLY HA3 H 1 3.846 0.000 . 2 . . . . A 75 GLY HA3 . 30445 1 905 . 1 1 75 75 GLY C C 13 175.007 0.000 . 1 . . . . A 75 GLY C . 30445 1 906 . 1 1 75 75 GLY CA C 13 46.079 0.000 . 1 . . . . A 75 GLY CA . 30445 1 907 . 1 1 75 75 GLY N N 15 107.247 0.000 . 1 . . . . A 75 GLY N . 30445 1 908 . 1 1 76 76 LYS H H 1 7.769 0.000 . 1 . . . . A 76 LYS H . 30445 1 909 . 1 1 76 76 LYS HA H 1 4.327 0.000 . 1 . . . . A 76 LYS HA . 30445 1 910 . 1 1 76 76 LYS HB2 H 1 1.908 0.000 . 2 . . . . A 76 LYS HB2 . 30445 1 911 . 1 1 76 76 LYS HB3 H 1 1.690 0.000 . 2 . . . . A 76 LYS HB3 . 30445 1 912 . 1 1 76 76 LYS HG2 H 1 1.397 0.000 . 2 . . . . A 76 LYS HG2 . 30445 1 913 . 1 1 76 76 LYS HG3 H 1 1.397 0.000 . 2 . . . . A 76 LYS HG3 . 30445 1 914 . 1 1 76 76 LYS HD2 H 1 1.324 0.000 . 2 . . . . A 76 LYS HD2 . 30445 1 915 . 1 1 76 76 LYS HD3 H 1 1.324 0.000 . 2 . . . . A 76 LYS HD3 . 30445 1 916 . 1 1 76 76 LYS HE2 H 1 2.956 0.000 . 2 . . . . A 76 LYS HE2 . 30445 1 917 . 1 1 76 76 LYS HE3 H 1 2.956 0.000 . 2 . . . . A 76 LYS HE3 . 30445 1 918 . 1 1 76 76 LYS C C 13 177.176 0.000 . 1 . . . . A 76 LYS C . 30445 1 919 . 1 1 76 76 LYS CA C 13 56.180 0.000 . 1 . . . . A 76 LYS CA . 30445 1 920 . 1 1 76 76 LYS CB C 13 32.781 0.000 . 1 . . . . A 76 LYS CB . 30445 1 921 . 1 1 76 76 LYS CG C 13 25.283 0.000 . 1 . . . . A 76 LYS CG . 30445 1 922 . 1 1 76 76 LYS CD C 13 29.128 0.000 . 1 . . . . A 76 LYS CD . 30445 1 923 . 1 1 76 76 LYS CE C 13 42.407 0.000 . 1 . . . . A 76 LYS CE . 30445 1 924 . 1 1 76 76 LYS N N 15 119.128 0.000 . 1 . . . . A 76 LYS N . 30445 1 925 . 1 1 77 77 GLY H H 1 8.317 0.000 . 1 . . . . A 77 GLY H . 30445 1 926 . 1 1 77 77 GLY HA2 H 1 3.952 0.001 . 2 . . . . A 77 GLY HA2 . 30445 1 927 . 1 1 77 77 GLY HA3 H 1 3.866 0.000 . 2 . . . . A 77 GLY HA3 . 30445 1 928 . 1 1 77 77 GLY C C 13 173.285 0.000 . 1 . . . . A 77 GLY C . 30445 1 929 . 1 1 77 77 GLY CA C 13 45.272 0.000 . 1 . . . . A 77 GLY CA . 30445 1 930 . 1 1 77 77 GLY N N 15 108.797 0.000 . 1 . . . . A 77 GLY N . 30445 1 931 . 1 1 78 78 ASN H H 1 7.738 0.000 . 1 . . . . A 78 ASN H . 30445 1 932 . 1 1 78 78 ASN HA H 1 4.677 0.000 . 1 . . . . A 78 ASN HA . 30445 1 933 . 1 1 78 78 ASN HB2 H 1 2.672 0.000 . 2 . . . . A 78 ASN HB2 . 30445 1 934 . 1 1 78 78 ASN HB3 H 1 2.530 0.000 . 2 . . . . A 78 ASN HB3 . 30445 1 935 . 1 1 78 78 ASN HD21 H 1 7.437 0.000 . 2 . . . . A 78 ASN HD21 . 30445 1 936 . 1 1 78 78 ASN HD22 H 1 6.596 0.000 . 2 . . . . A 78 ASN HD22 . 30445 1 937 . 1 1 78 78 ASN C C 13 174.576 0.000 . 1 . . . . A 78 ASN C . 30445 1 938 . 1 1 78 78 ASN CA C 13 52.846 0.000 . 1 . . . . A 78 ASN CA . 30445 1 939 . 1 1 78 78 ASN CB C 13 39.037 0.116 . 1 . . . . A 78 ASN CB . 30445 1 940 . 1 1 78 78 ASN N N 15 119.642 0.000 . 1 . . . . A 78 ASN N . 30445 1 941 . 1 1 78 78 ASN ND2 N 15 111.697 0.000 . 1 . . . . A 78 ASN ND2 . 30445 1 942 . 1 1 79 79 VAL H H 1 7.882 0.000 . 1 . . . . A 79 VAL H . 30445 1 943 . 1 1 79 79 VAL HA H 1 3.830 0.000 . 1 . . . . A 79 VAL HA . 30445 1 944 . 1 1 79 79 VAL HB H 1 1.895 0.000 . 1 . . . . A 79 VAL HB . 30445 1 945 . 1 1 79 79 VAL HG11 H 1 0.725 0.000 . 2 . . . . A 79 VAL HG11 . 30445 1 946 . 1 1 79 79 VAL HG12 H 1 0.725 0.000 . 2 . . . . A 79 VAL HG12 . 30445 1 947 . 1 1 79 79 VAL HG13 H 1 0.725 0.000 . 2 . . . . A 79 VAL HG13 . 30445 1 948 . 1 1 79 79 VAL HG21 H 1 0.745 0.000 . 2 . . . . A 79 VAL HG21 . 30445 1 949 . 1 1 79 79 VAL HG22 H 1 0.745 0.000 . 2 . . . . A 79 VAL HG22 . 30445 1 950 . 1 1 79 79 VAL HG23 H 1 0.745 0.000 . 2 . . . . A 79 VAL HG23 . 30445 1 951 . 1 1 79 79 VAL C C 13 176.120 0.000 . 1 . . . . A 79 VAL C . 30445 1 952 . 1 1 79 79 VAL CA C 13 62.770 0.000 . 1 . . . . A 79 VAL CA . 30445 1 953 . 1 1 79 79 VAL CB C 13 32.982 0.000 . 1 . . . . A 79 VAL CB . 30445 1 954 . 1 1 79 79 VAL CG1 C 13 21.194 0.000 . 1 . . . . A 79 VAL CG1 . 30445 1 955 . 1 1 79 79 VAL CG2 C 13 20.698 0.000 . 1 . . . . A 79 VAL CG2 . 30445 1 956 . 1 1 79 79 VAL N N 15 120.201 0.000 . 1 . . . . A 79 VAL N . 30445 1 957 . 1 1 80 80 CYS H H 1 8.283 0.000 . 1 . . . . A 80 CYS H . 30445 1 958 . 1 1 80 80 CYS HA H 1 4.839 0.000 . 1 . . . . A 80 CYS HA . 30445 1 959 . 1 1 80 80 CYS HB2 H 1 2.836 0.000 . 2 . . . . A 80 CYS HB2 . 30445 1 960 . 1 1 80 80 CYS HB3 H 1 2.749 0.000 . 2 . . . . A 80 CYS HB3 . 30445 1 961 . 1 1 80 80 CYS C C 13 174.296 0.000 . 1 . . . . A 80 CYS C . 30445 1 962 . 1 1 80 80 CYS CA C 13 54.486 0.000 . 1 . . . . A 80 CYS CA . 30445 1 963 . 1 1 80 80 CYS CB C 13 43.809 0.000 . 1 . . . . A 80 CYS CB . 30445 1 964 . 1 1 80 80 CYS N N 15 120.413 0.000 . 1 . . . . A 80 CYS N . 30445 1 965 . 1 1 81 81 HIS H H 1 8.047 0.000 . 1 . . . . A 81 HIS H . 30445 1 966 . 1 1 81 81 HIS HA H 1 4.593 0.000 . 1 . . . . A 81 HIS HA . 30445 1 967 . 1 1 81 81 HIS HB2 H 1 3.156 0.000 . 2 . . . . A 81 HIS HB2 . 30445 1 968 . 1 1 81 81 HIS HB3 H 1 2.974 0.000 . 2 . . . . A 81 HIS HB3 . 30445 1 969 . 1 1 81 81 HIS HD2 H 1 7.075 0.000 . 1 . . . . A 81 HIS HD2 . 30445 1 970 . 1 1 81 81 HIS C C 13 175.072 0.000 . 1 . . . . A 81 HIS C . 30445 1 971 . 1 1 81 81 HIS CA C 13 56.457 0.000 . 1 . . . . A 81 HIS CA . 30445 1 972 . 1 1 81 81 HIS CB C 13 32.480 0.000 . 1 . . . . A 81 HIS CB . 30445 1 973 . 1 1 81 81 HIS CD2 C 13 120.141 0.000 . 1 . . . . A 81 HIS CD2 . 30445 1 974 . 1 1 81 81 HIS N N 15 121.936 0.000 . 1 . . . . A 81 HIS N . 30445 1 975 . 1 1 82 82 ARG H H 1 8.617 0.000 . 1 . . . . A 82 ARG H . 30445 1 976 . 1 1 82 82 ARG HA H 1 4.498 0.000 . 1 . . . . A 82 ARG HA . 30445 1 977 . 1 1 82 82 ARG HB2 H 1 1.819 0.000 . 2 . . . . A 82 ARG HB2 . 30445 1 978 . 1 1 82 82 ARG HB3 H 1 1.700 0.000 . 2 . . . . A 82 ARG HB3 . 30445 1 979 . 1 1 82 82 ARG HG2 H 1 1.594 0.000 . 2 . . . . A 82 ARG HG2 . 30445 1 980 . 1 1 82 82 ARG HG3 H 1 1.594 0.000 . 2 . . . . A 82 ARG HG3 . 30445 1 981 . 1 1 82 82 ARG HD2 H 1 3.120 0.000 . 2 . . . . A 82 ARG HD2 . 30445 1 982 . 1 1 82 82 ARG HD3 H 1 3.120 0.000 . 2 . . . . A 82 ARG HD3 . 30445 1 983 . 1 1 82 82 ARG C C 13 175.905 0.000 . 1 . . . . A 82 ARG C . 30445 1 984 . 1 1 82 82 ARG CA C 13 56.180 0.000 . 1 . . . . A 82 ARG CA . 30445 1 985 . 1 1 82 82 ARG CB C 13 31.858 0.000 . 1 . . . . A 82 ARG CB . 30445 1 986 . 1 1 82 82 ARG CG C 13 27.812 0.000 . 1 . . . . A 82 ARG CG . 30445 1 987 . 1 1 82 82 ARG CD C 13 43.900 0.000 . 1 . . . . A 82 ARG CD . 30445 1 988 . 1 1 82 82 ARG N N 15 122.589 0.000 . 1 . . . . A 82 ARG N . 30445 1 989 . 1 1 83 83 LYS H H 1 8.528 0.000 . 1 . . . . A 83 LYS H . 30445 1 990 . 1 1 83 83 LYS HA H 1 4.277 0.000 . 1 . . . . A 83 LYS HA . 30445 1 991 . 1 1 83 83 LYS HB2 H 1 1.792 0.000 . 2 . . . . A 83 LYS HB2 . 30445 1 992 . 1 1 83 83 LYS HB3 H 1 1.673 0.000 . 2 . . . . A 83 LYS HB3 . 30445 1 993 . 1 1 83 83 LYS HG2 H 1 1.392 0.000 . 2 . . . . A 83 LYS HG2 . 30445 1 994 . 1 1 83 83 LYS HG3 H 1 1.392 0.000 . 2 . . . . A 83 LYS HG3 . 30445 1 995 . 1 1 83 83 LYS HE2 H 1 2.948 0.000 . 2 . . . . A 83 LYS HE2 . 30445 1 996 . 1 1 83 83 LYS HE3 H 1 2.948 0.000 . 2 . . . . A 83 LYS HE3 . 30445 1 997 . 1 1 83 83 LYS C C 13 176.270 0.000 . 1 . . . . A 83 LYS C . 30445 1 998 . 1 1 83 83 LYS CA C 13 56.664 0.000 . 1 . . . . A 83 LYS CA . 30445 1 999 . 1 1 83 83 LYS CB C 13 33.779 0.000 . 1 . . . . A 83 LYS CB . 30445 1 1000 . 1 1 83 83 LYS CG C 13 25.182 0.000 . 1 . . . . A 83 LYS CG . 30445 1 1001 . 1 1 83 83 LYS CE C 13 42.191 0.000 . 1 . . . . A 83 LYS CE . 30445 1 1002 . 1 1 83 83 LYS N N 15 124.179 0.000 . 1 . . . . A 83 LYS N . 30445 1 1003 . 1 1 84 84 LYS H H 1 8.516 0.000 . 1 . . . . A 84 LYS H . 30445 1 1004 . 1 1 84 84 LYS HA H 1 4.262 0.000 . 1 . . . . A 84 LYS HA . 30445 1 1005 . 1 1 84 84 LYS HB2 H 1 1.674 0.000 . 2 . . . . A 84 LYS HB2 . 30445 1 1006 . 1 1 84 84 LYS HB3 H 1 1.674 0.000 . 2 . . . . A 84 LYS HB3 . 30445 1 1007 . 1 1 84 84 LYS HG2 H 1 1.398 0.000 . 2 . . . . A 84 LYS HG2 . 30445 1 1008 . 1 1 84 84 LYS HG3 H 1 1.398 0.000 . 2 . . . . A 84 LYS HG3 . 30445 1 1009 . 1 1 84 84 LYS HD2 H 1 1.324 0.000 . 2 . . . . A 84 LYS HD2 . 30445 1 1010 . 1 1 84 84 LYS HD3 H 1 1.324 0.000 . 2 . . . . A 84 LYS HD3 . 30445 1 1011 . 1 1 84 84 LYS HE2 H 1 2.950 0.000 . 2 . . . . A 84 LYS HE2 . 30445 1 1012 . 1 1 84 84 LYS HE3 H 1 2.950 0.000 . 2 . . . . A 84 LYS HE3 . 30445 1 1013 . 1 1 84 84 LYS C C 13 176.270 0.243 . 1 . . . . A 84 LYS C . 30445 1 1014 . 1 1 84 84 LYS CA C 13 56.603 0.000 . 1 . . . . A 84 LYS CA . 30445 1 1015 . 1 1 84 84 LYS CB C 13 33.320 0.000 . 1 . . . . A 84 LYS CB . 30445 1 1016 . 1 1 84 84 LYS CG C 13 25.081 0.000 . 1 . . . . A 84 LYS CG . 30445 1 1017 . 1 1 84 84 LYS CD C 13 29.482 0.000 . 1 . . . . A 84 LYS CD . 30445 1 1018 . 1 1 84 84 LYS CE C 13 42.407 0.000 . 1 . . . . A 84 LYS CE . 30445 1 1019 . 1 1 84 84 LYS N N 15 125.283 0.000 . 1 . . . . A 84 LYS N . 30445 1 1020 . 1 1 85 85 HIS H H 1 8.402 0.000 . 1 . . . . A 85 HIS H . 30445 1 1021 . 1 1 85 85 HIS HA H 1 4.481 0.000 . 1 . . . . A 85 HIS HA . 30445 1 1022 . 1 1 85 85 HIS HB2 H 1 3.096 0.000 . 2 . . . . A 85 HIS HB2 . 30445 1 1023 . 1 1 85 85 HIS HB3 H 1 2.814 0.000 . 2 . . . . A 85 HIS HB3 . 30445 1 1024 . 1 1 85 85 HIS HD2 H 1 7.043 0.000 . 1 . . . . A 85 HIS HD2 . 30445 1 1025 . 1 1 85 85 HIS CA C 13 57.405 0.000 . 1 . . . . A 85 HIS CA . 30445 1 1026 . 1 1 85 85 HIS CB C 13 31.509 0.000 . 1 . . . . A 85 HIS CB . 30445 1 1027 . 1 1 85 85 HIS CD2 C 13 119.105 0.000 . 1 . . . . A 85 HIS CD2 . 30445 1 1028 . 1 1 85 85 HIS N N 15 120.570 0.000 . 1 . . . . A 85 HIS N . 30445 1 1029 . 1 1 86 86 HIS HA H 1 4.567 0.000 . 1 . . . . A 86 HIS HA . 30445 1 1030 . 1 1 86 86 HIS HB2 H 1 2.985 0.000 . 2 . . . . A 86 HIS HB2 . 30445 1 1031 . 1 1 86 86 HIS HB3 H 1 2.985 0.000 . 2 . . . . A 86 HIS HB3 . 30445 1 1032 . 1 1 86 86 HIS HD2 H 1 6.976 0.000 . 1 . . . . A 86 HIS HD2 . 30445 1 1033 . 1 1 86 86 HIS C C 13 175.546 0.000 . 1 . . . . A 86 HIS C . 30445 1 1034 . 1 1 86 86 HIS CA C 13 56.169 0.041 . 1 . . . . A 86 HIS CA . 30445 1 1035 . 1 1 86 86 HIS CB C 13 31.346 0.000 . 1 . . . . A 86 HIS CB . 30445 1 1036 . 1 1 86 86 HIS CD2 C 13 120.658 0.000 . 1 . . . . A 86 HIS CD2 . 30445 1 1037 . 1 1 87 87 GLY H H 1 8.339 0.000 . 1 . . . . A 87 GLY H . 30445 1 1038 . 1 1 87 87 GLY HA2 H 1 3.955 0.000 . 2 . . . . A 87 GLY HA2 . 30445 1 1039 . 1 1 87 87 GLY HA3 H 1 3.861 0.000 . 2 . . . . A 87 GLY HA3 . 30445 1 1040 . 1 1 87 87 GLY C C 13 174.142 0.313 . 1 . . . . A 87 GLY C . 30445 1 1041 . 1 1 87 87 GLY CA C 13 45.402 0.000 . 1 . . . . A 87 GLY CA . 30445 1 1042 . 1 1 87 87 GLY N N 15 110.516 0.000 . 1 . . . . A 87 GLY N . 30445 1 1043 . 1 1 88 88 LYS H H 1 8.249 0.000 . 1 . . . . A 88 LYS H . 30445 1 1044 . 1 1 88 88 LYS HA H 1 4.228 0.000 . 1 . . . . A 88 LYS HA . 30445 1 1045 . 1 1 88 88 LYS HB2 H 1 1.683 0.000 . 2 . . . . A 88 LYS HB2 . 30445 1 1046 . 1 1 88 88 LYS HB3 H 1 1.683 0.000 . 2 . . . . A 88 LYS HB3 . 30445 1 1047 . 1 1 88 88 LYS HG2 H 1 1.310 0.000 . 2 . . . . A 88 LYS HG2 . 30445 1 1048 . 1 1 88 88 LYS HG3 H 1 1.310 0.000 . 2 . . . . A 88 LYS HG3 . 30445 1 1049 . 1 1 88 88 LYS HD2 H 1 1.383 0.000 . 2 . . . . A 88 LYS HD2 . 30445 1 1050 . 1 1 88 88 LYS HD3 H 1 1.383 0.000 . 2 . . . . A 88 LYS HD3 . 30445 1 1051 . 1 1 88 88 LYS HE2 H 1 2.946 0.000 . 2 . . . . A 88 LYS HE2 . 30445 1 1052 . 1 1 88 88 LYS HE3 H 1 2.946 0.000 . 2 . . . . A 88 LYS HE3 . 30445 1 1053 . 1 1 88 88 LYS C C 13 176.831 0.000 . 1 . . . . A 88 LYS C . 30445 1 1054 . 1 1 88 88 LYS CA C 13 56.413 0.000 . 1 . . . . A 88 LYS CA . 30445 1 1055 . 1 1 88 88 LYS CB C 13 33.505 0.000 . 1 . . . . A 88 LYS CB . 30445 1 1056 . 1 1 88 88 LYS CG C 13 25.182 0.000 . 1 . . . . A 88 LYS CG . 30445 1 1057 . 1 1 88 88 LYS CD C 13 29.533 0.000 . 1 . . . . A 88 LYS CD . 30445 1 1058 . 1 1 88 88 LYS CE C 13 41.867 0.000 . 1 . . . . A 88 LYS CE . 30445 1 1059 . 1 1 88 88 LYS N N 15 119.837 0.000 . 1 . . . . A 88 LYS N . 30445 1 1060 . 1 1 89 89 ARG H H 1 8.442 0.000 . 1 . . . . A 89 ARG H . 30445 1 1061 . 1 1 89 89 ARG HA H 1 4.256 0.000 . 1 . . . . A 89 ARG HA . 30445 1 1062 . 1 1 89 89 ARG HB2 H 1 1.796 0.000 . 2 . . . . A 89 ARG HB2 . 30445 1 1063 . 1 1 89 89 ARG HB3 H 1 1.796 0.000 . 2 . . . . A 89 ARG HB3 . 30445 1 1064 . 1 1 89 89 ARG HG2 H 1 1.579 0.000 . 2 . . . . A 89 ARG HG2 . 30445 1 1065 . 1 1 89 89 ARG HG3 H 1 1.579 0.000 . 2 . . . . A 89 ARG HG3 . 30445 1 1066 . 1 1 89 89 ARG HD2 H 1 3.131 0.000 . 2 . . . . A 89 ARG HD2 . 30445 1 1067 . 1 1 89 89 ARG HD3 H 1 3.131 0.000 . 2 . . . . A 89 ARG HD3 . 30445 1 1068 . 1 1 89 89 ARG C C 13 176.176 0.000 . 1 . . . . A 89 ARG C . 30445 1 1069 . 1 1 89 89 ARG CA C 13 56.477 0.000 . 1 . . . . A 89 ARG CA . 30445 1 1070 . 1 1 89 89 ARG CB C 13 30.863 0.000 . 1 . . . . A 89 ARG CB . 30445 1 1071 . 1 1 89 89 ARG CG C 13 27.610 0.000 . 1 . . . . A 89 ARG CG . 30445 1 1072 . 1 1 89 89 ARG CD C 13 43.698 0.000 . 1 . . . . A 89 ARG CD . 30445 1 1073 . 1 1 89 89 ARG N N 15 122.836 0.000 . 1 . . . . A 89 ARG N . 30445 1 1074 . 1 1 90 90 ASN H H 1 8.533 0.000 . 1 . . . . A 90 ASN H . 30445 1 1075 . 1 1 90 90 ASN HA H 1 4.676 0.000 . 1 . . . . A 90 ASN HA . 30445 1 1076 . 1 1 90 90 ASN HB2 H 1 2.722 0.000 . 2 . . . . A 90 ASN HB2 . 30445 1 1077 . 1 1 90 90 ASN HB3 H 1 2.722 0.000 . 2 . . . . A 90 ASN HB3 . 30445 1 1078 . 1 1 90 90 ASN HD21 H 1 7.451 0.004 . 2 . . . . A 90 ASN HD21 . 30445 1 1079 . 1 1 90 90 ASN HD22 H 1 6.797 0.005 . 2 . . . . A 90 ASN HD22 . 30445 1 1080 . 1 1 90 90 ASN C C 13 175.363 0.000 . 1 . . . . A 90 ASN C . 30445 1 1081 . 1 1 90 90 ASN CA C 13 53.839 0.000 . 1 . . . . A 90 ASN CA . 30445 1 1082 . 1 1 90 90 ASN CB C 13 39.147 0.000 . 1 . . . . A 90 ASN CB . 30445 1 1083 . 1 1 90 90 ASN N N 15 120.701 0.000 . 1 . . . . A 90 ASN N . 30445 1 1084 . 1 1 90 90 ASN ND2 N 15 112.706 0.000 . 1 . . . . A 90 ASN ND2 . 30445 1 1085 . 1 1 91 91 SER H H 1 8.302 0.000 . 1 . . . . A 91 SER H . 30445 1 1086 . 1 1 91 91 SER HA H 1 4.433 0.000 . 1 . . . . A 91 SER HA . 30445 1 1087 . 1 1 91 91 SER HB2 H 1 3.866 0.000 . 2 . . . . A 91 SER HB2 . 30445 1 1088 . 1 1 91 91 SER HB3 H 1 3.866 0.000 . 2 . . . . A 91 SER HB3 . 30445 1 1089 . 1 1 91 91 SER C C 13 174.399 0.000 . 1 . . . . A 91 SER C . 30445 1 1090 . 1 1 91 91 SER CA C 13 58.654 0.000 . 1 . . . . A 91 SER CA . 30445 1 1091 . 1 1 91 91 SER CB C 13 64.172 0.000 . 1 . . . . A 91 SER CB . 30445 1 1092 . 1 1 91 91 SER N N 15 116.662 0.000 . 1 . . . . A 91 SER N . 30445 1 1093 . 1 1 92 92 ASN H H 1 8.368 0.000 . 1 . . . . A 92 ASN H . 30445 1 1094 . 1 1 92 92 ASN HA H 1 4.662 0.000 . 1 . . . . A 92 ASN HA . 30445 1 1095 . 1 1 92 92 ASN HB2 H 1 2.787 0.000 . 2 . . . . A 92 ASN HB2 . 30445 1 1096 . 1 1 92 92 ASN HB3 H 1 2.787 0.000 . 2 . . . . A 92 ASN HB3 . 30445 1 1097 . 1 1 92 92 ASN HD21 H 1 6.756 0.000 . 2 . . . . A 92 ASN HD21 . 30445 1 1098 . 1 1 92 92 ASN HD22 H 1 6.267 0.000 . 2 . . . . A 92 ASN HD22 . 30445 1 1099 . 1 1 92 92 ASN C C 13 175.390 0.000 . 1 . . . . A 92 ASN C . 30445 1 1100 . 1 1 92 92 ASN CA C 13 53.579 0.000 . 1 . . . . A 92 ASN CA . 30445 1 1101 . 1 1 92 92 ASN CB C 13 39.202 0.000 . 1 . . . . A 92 ASN CB . 30445 1 1102 . 1 1 92 92 ASN N N 15 121.006 0.000 . 1 . . . . A 92 ASN N . 30445 1 1103 . 1 1 92 92 ASN ND2 N 15 113.219 0.000 . 1 . . . . A 92 ASN ND2 . 30445 1 1104 . 1 1 93 93 ARG H H 1 8.209 0.000 . 1 . . . . A 93 ARG H . 30445 1 1105 . 1 1 93 93 ARG HA H 1 4.251 0.000 . 1 . . . . A 93 ARG HA . 30445 1 1106 . 1 1 93 93 ARG HB2 H 1 1.795 0.000 . 2 . . . . A 93 ARG HB2 . 30445 1 1107 . 1 1 93 93 ARG HB3 H 1 1.709 0.000 . 2 . . . . A 93 ARG HB3 . 30445 1 1108 . 1 1 93 93 ARG HG2 H 1 1.588 0.000 . 2 . . . . A 93 ARG HG2 . 30445 1 1109 . 1 1 93 93 ARG HG3 H 1 1.588 0.000 . 2 . . . . A 93 ARG HG3 . 30445 1 1110 . 1 1 93 93 ARG HD2 H 1 3.127 0.000 . 2 . . . . A 93 ARG HD2 . 30445 1 1111 . 1 1 93 93 ARG HD3 H 1 3.127 0.000 . 2 . . . . A 93 ARG HD3 . 30445 1 1112 . 1 1 93 93 ARG C C 13 176.167 0.000 . 1 . . . . A 93 ARG C . 30445 1 1113 . 1 1 93 93 ARG CA C 13 56.457 0.000 . 1 . . . . A 93 ARG CA . 30445 1 1114 . 1 1 93 93 ARG CB C 13 30.862 0.000 . 1 . . . . A 93 ARG CB . 30445 1 1115 . 1 1 93 93 ARG CG C 13 27.509 0.000 . 1 . . . . A 93 ARG CG . 30445 1 1116 . 1 1 93 93 ARG CD C 13 43.496 0.000 . 1 . . . . A 93 ARG CD . 30445 1 1117 . 1 1 93 93 ARG N N 15 121.537 0.000 . 1 . . . . A 93 ARG N . 30445 1 1118 . 1 1 94 94 ALA H H 1 8.204 0.000 . 1 . . . . A 94 ALA H . 30445 1 1119 . 1 1 94 94 ALA HA H 1 4.208 0.000 . 1 . . . . A 94 ALA HA . 30445 1 1120 . 1 1 94 94 ALA HB1 H 1 1.270 0.000 . 1 . . . . A 94 ALA HB1 . 30445 1 1121 . 1 1 94 94 ALA HB2 H 1 1.270 0.000 . 1 . . . . A 94 ALA HB2 . 30445 1 1122 . 1 1 94 94 ALA HB3 H 1 1.270 0.000 . 1 . . . . A 94 ALA HB3 . 30445 1 1123 . 1 1 94 94 ALA C C 13 177.692 0.000 . 1 . . . . A 94 ALA C . 30445 1 1124 . 1 1 94 94 ALA CA C 13 52.948 0.000 . 1 . . . . A 94 ALA CA . 30445 1 1125 . 1 1 94 94 ALA CB C 13 19.391 0.000 . 1 . . . . A 94 ALA CB . 30445 1 1126 . 1 1 94 94 ALA N N 15 124.533 0.000 . 1 . . . . A 94 ALA N . 30445 1 1127 . 1 1 95 95 HIS H H 1 8.223 0.000 . 1 . . . . A 95 HIS H . 30445 1 1128 . 1 1 95 95 HIS HA H 1 4.566 0.000 . 1 . . . . A 95 HIS HA . 30445 1 1129 . 1 1 95 95 HIS HB2 H 1 3.107 0.000 . 2 . . . . A 95 HIS HB2 . 30445 1 1130 . 1 1 95 95 HIS HB3 H 1 3.034 0.000 . 2 . . . . A 95 HIS HB3 . 30445 1 1131 . 1 1 95 95 HIS C C 13 175.297 0.000 . 1 . . . . A 95 HIS C . 30445 1 1132 . 1 1 95 95 HIS CA C 13 56.331 0.000 . 1 . . . . A 95 HIS CA . 30445 1 1133 . 1 1 95 95 HIS CB C 13 30.537 0.000 . 1 . . . . A 95 HIS CB . 30445 1 1134 . 1 1 95 95 HIS N N 15 118.401 0.000 . 1 . . . . A 95 HIS N . 30445 1 1135 . 1 1 96 96 GLN H H 1 8.203 0.000 . 1 . . . . A 96 GLN H . 30445 1 1136 . 1 1 96 96 GLN HA H 1 4.282 0.000 . 1 . . . . A 96 GLN HA . 30445 1 1137 . 1 1 96 96 GLN HB2 H 1 2.062 0.000 . 2 . . . . A 96 GLN HB2 . 30445 1 1138 . 1 1 96 96 GLN HB3 H 1 1.914 0.000 . 2 . . . . A 96 GLN HB3 . 30445 1 1139 . 1 1 96 96 GLN HG2 H 1 2.279 0.000 . 2 . . . . A 96 GLN HG2 . 30445 1 1140 . 1 1 96 96 GLN HG3 H 1 2.279 0.000 . 2 . . . . A 96 GLN HG3 . 30445 1 1141 . 1 1 96 96 GLN C C 13 176.295 0.000 . 1 . . . . A 96 GLN C . 30445 1 1142 . 1 1 96 96 GLN CA C 13 56.157 0.000 . 1 . . . . A 96 GLN CA . 30445 1 1143 . 1 1 96 96 GLN CB C 13 29.566 0.000 . 1 . . . . A 96 GLN CB . 30445 1 1144 . 1 1 96 96 GLN CG C 13 34.086 0.000 . 1 . . . . A 96 GLN CG . 30445 1 1145 . 1 1 96 96 GLN N N 15 121.698 0.000 . 1 . . . . A 96 GLN N . 30445 1 1146 . 1 1 97 97 GLY H H 1 8.435 0.000 . 1 . . . . A 97 GLY H . 30445 1 1147 . 1 1 97 97 GLY HA2 H 1 3.915 0.000 . 2 . . . . A 97 GLY HA2 . 30445 1 1148 . 1 1 97 97 GLY HA3 H 1 3.829 0.000 . 2 . . . . A 97 GLY HA3 . 30445 1 1149 . 1 1 97 97 GLY C C 13 173.996 0.000 . 1 . . . . A 97 GLY C . 30445 1 1150 . 1 1 97 97 GLY CA C 13 45.348 0.000 . 1 . . . . A 97 GLY CA . 30445 1 1151 . 1 1 97 97 GLY N N 15 110.344 0.000 . 1 . . . . A 97 GLY N . 30445 1 1152 . 1 1 98 98 LYS H H 1 8.204 0.000 . 1 . . . . A 98 LYS H . 30445 1 1153 . 1 1 98 98 LYS N N 15 120.902 0.000 . 1 . . . . A 98 LYS N . 30445 1 1154 . 1 1 100 100 GLU HA H 1 4.241 0.000 . 1 . . . . A 100 GLU HA . 30445 1 1155 . 1 1 100 100 GLU HB2 H 1 1.818 0.000 . 2 . . . . A 100 GLU HB2 . 30445 1 1156 . 1 1 100 100 GLU HB3 H 1 1.818 0.000 . 2 . . . . A 100 GLU HB3 . 30445 1 1157 . 1 1 100 100 GLU HG2 H 1 2.115 0.000 . 2 . . . . A 100 GLU HG2 . 30445 1 1158 . 1 1 100 100 GLU HG3 H 1 2.115 0.000 . 2 . . . . A 100 GLU HG3 . 30445 1 1159 . 1 1 100 100 GLU C C 13 176.445 0.000 . 1 . . . . A 100 GLU C . 30445 1 1160 . 1 1 100 100 GLU CA C 13 56.755 0.000 . 1 . . . . A 100 GLU CA . 30445 1 1161 . 1 1 100 100 GLU CB C 13 30.531 0.000 . 1 . . . . A 100 GLU CB . 30445 1 1162 . 1 1 100 100 GLU CG C 13 36.514 0.000 . 1 . . . . A 100 GLU CG . 30445 1 1163 . 1 1 101 101 THR H H 1 8.157 0.000 . 1 . . . . A 101 THR H . 30445 1 1164 . 1 1 101 101 THR HA H 1 4.209 0.000 . 1 . . . . A 101 THR HA . 30445 1 1165 . 1 1 101 101 THR HB H 1 4.074 0.000 . 1 . . . . A 101 THR HB . 30445 1 1166 . 1 1 101 101 THR HG21 H 1 1.044 0.000 . 1 . . . . A 101 THR HG21 . 30445 1 1167 . 1 1 101 101 THR HG22 H 1 1.044 0.000 . 1 . . . . A 101 THR HG22 . 30445 1 1168 . 1 1 101 101 THR HG23 H 1 1.044 0.000 . 1 . . . . A 101 THR HG23 . 30445 1 1169 . 1 1 101 101 THR C C 13 174.389 0.000 . 1 . . . . A 101 THR C . 30445 1 1170 . 1 1 101 101 THR CA C 13 62.088 0.000 . 1 . . . . A 101 THR CA . 30445 1 1171 . 1 1 101 101 THR CB C 13 70.099 0.000 . 1 . . . . A 101 THR CB . 30445 1 1172 . 1 1 101 101 THR CG2 C 13 22.045 0.000 . 1 . . . . A 101 THR CG2 . 30445 1 1173 . 1 1 101 101 THR N N 15 115.153 0.000 . 1 . . . . A 101 THR N . 30445 1 1174 . 1 1 102 102 TYR H H 1 8.195 0.000 . 1 . . . . A 102 TYR H . 30445 1 1175 . 1 1 102 102 TYR HA H 1 4.504 0.000 . 1 . . . . A 102 TYR HA . 30445 1 1176 . 1 1 102 102 TYR HB2 H 1 3.019 0.000 . 2 . . . . A 102 TYR HB2 . 30445 1 1177 . 1 1 102 102 TYR HB3 H 1 2.884 0.000 . 2 . . . . A 102 TYR HB3 . 30445 1 1178 . 1 1 102 102 TYR HD1 H 1 7.045 0.002 . 1 . . . . A 102 TYR HD1 . 30445 1 1179 . 1 1 102 102 TYR HD2 H 1 7.045 0.002 . 1 . . . . A 102 TYR HD2 . 30445 1 1180 . 1 1 102 102 TYR HE1 H 1 6.763 0.000 . 1 . . . . A 102 TYR HE1 . 30445 1 1181 . 1 1 102 102 TYR HE2 H 1 6.763 0.000 . 1 . . . . A 102 TYR HE2 . 30445 1 1182 . 1 1 102 102 TYR C C 13 176.361 0.000 . 1 . . . . A 102 TYR C . 30445 1 1183 . 1 1 102 102 TYR CA C 13 58.326 0.000 . 1 . . . . A 102 TYR CA . 30445 1 1184 . 1 1 102 102 TYR CB C 13 38.767 0.000 . 1 . . . . A 102 TYR CB . 30445 1 1185 . 1 1 102 102 TYR CD1 C 13 133.342 0.000 . 1 . . . . A 102 TYR CD1 . 30445 1 1186 . 1 1 102 102 TYR CE1 C 13 118.329 0.000 . 1 . . . . A 102 TYR CE1 . 30445 1 1187 . 1 1 102 102 TYR N N 15 122.527 0.000 . 1 . . . . A 102 TYR N . 30445 1 1188 . 1 1 103 103 GLY H H 1 8.245 0.000 . 1 . . . . A 103 GLY H . 30445 1 1189 . 1 1 103 103 GLY HA2 H 1 3.828 0.000 . 2 . . . . A 103 GLY HA2 . 30445 1 1190 . 1 1 103 103 GLY HA3 H 1 3.762 0.000 . 2 . . . . A 103 GLY HA3 . 30445 1 1191 . 1 1 103 103 GLY C C 13 173.900 0.000 . 1 . . . . A 103 GLY C . 30445 1 1192 . 1 1 103 103 GLY CA C 13 45.424 0.000 . 1 . . . . A 103 GLY CA . 30445 1 1193 . 1 1 103 103 GLY N N 15 110.491 0.000 . 1 . . . . A 103 GLY N . 30445 1 1194 . 1 1 104 104 HIS H H 1 8.108 0.000 . 1 . . . . A 104 HIS H . 30445 1 1195 . 1 1 104 104 HIS HA H 1 4.572 0.000 . 1 . . . . A 104 HIS HA . 30445 1 1196 . 1 1 104 104 HIS HB2 H 1 3.091 0.000 . 2 . . . . A 104 HIS HB2 . 30445 1 1197 . 1 1 104 104 HIS HB3 H 1 3.016 0.000 . 2 . . . . A 104 HIS HB3 . 30445 1 1198 . 1 1 104 104 HIS C C 13 175.072 0.000 . 1 . . . . A 104 HIS C . 30445 1 1199 . 1 1 104 104 HIS CA C 13 56.130 0.000 . 1 . . . . A 104 HIS CA . 30445 1 1200 . 1 1 104 104 HIS CB C 13 30.751 0.000 . 1 . . . . A 104 HIS CB . 30445 1 1201 . 1 1 104 104 HIS N N 15 119.004 0.000 . 1 . . . . A 104 HIS N . 30445 1 1202 . 1 1 105 105 LYS H H 1 8.364 0.000 . 1 . . . . A 105 LYS H . 30445 1 1203 . 1 1 105 105 LYS HA H 1 4.279 0.000 . 1 . . . . A 105 LYS HA . 30445 1 1204 . 1 1 105 105 LYS HB2 H 1 1.787 0.000 . 2 . . . . A 105 LYS HB2 . 30445 1 1205 . 1 1 105 105 LYS HB3 H 1 1.679 0.000 . 2 . . . . A 105 LYS HB3 . 30445 1 1206 . 1 1 105 105 LYS HG2 H 1 1.393 0.000 . 2 . . . . A 105 LYS HG2 . 30445 1 1207 . 1 1 105 105 LYS HG3 H 1 1.393 0.000 . 2 . . . . A 105 LYS HG3 . 30445 1 1208 . 1 1 105 105 LYS HD2 H 1 1.317 0.000 . 2 . . . . A 105 LYS HD2 . 30445 1 1209 . 1 1 105 105 LYS HD3 H 1 1.317 0.000 . 2 . . . . A 105 LYS HD3 . 30445 1 1210 . 1 1 105 105 LYS HE2 H 1 2.954 0.000 . 2 . . . . A 105 LYS HE2 . 30445 1 1211 . 1 1 105 105 LYS HE3 H 1 2.954 0.000 . 2 . . . . A 105 LYS HE3 . 30445 1 1212 . 1 1 105 105 LYS C C 13 175.885 0.488 . 1 . . . . A 105 LYS C . 30445 1 1213 . 1 1 105 105 LYS CA C 13 56.505 0.000 . 1 . . . . A 105 LYS CA . 30445 1 1214 . 1 1 105 105 LYS CB C 13 33.301 0.000 . 1 . . . . A 105 LYS CB . 30445 1 1215 . 1 1 105 105 LYS CG C 13 24.979 0.000 . 1 . . . . A 105 LYS CG . 30445 1 1216 . 1 1 105 105 LYS CD C 13 29.533 0.000 . 1 . . . . A 105 LYS CD . 30445 1 1217 . 1 1 105 105 LYS CE C 13 42.180 0.000 . 1 . . . . A 105 LYS CE . 30445 1 1218 . 1 1 105 105 LYS N N 15 122.651 0.000 . 1 . . . . A 105 LYS N . 30445 1 1219 . 1 1 106 106 THR H H 1 8.421 0.000 . 1 . . . . A 106 THR H . 30445 1 1220 . 1 1 106 106 THR C C 13 173.054 0.000 . 1 . . . . A 106 THR C . 30445 1 1221 . 1 1 106 106 THR N N 15 128.120 0.000 . 1 . . . . A 106 THR N . 30445 1 1222 . 1 1 107 107 PRO HA H 1 4.609 0.000 . 1 . . . . A 107 PRO HA . 30445 1 1223 . 1 1 107 107 PRO HB2 H 1 2.246 0.000 . 2 . . . . A 107 PRO HB2 . 30445 1 1224 . 1 1 107 107 PRO HB3 H 1 2.051 0.000 . 2 . . . . A 107 PRO HB3 . 30445 1 1225 . 1 1 107 107 PRO HG2 H 1 1.588 0.000 . 2 . . . . A 107 PRO HG2 . 30445 1 1226 . 1 1 107 107 PRO HG3 H 1 1.831 0.000 . 2 . . . . A 107 PRO HG3 . 30445 1 1227 . 1 1 107 107 PRO HD2 H 1 3.424 0.000 . 2 . . . . A 107 PRO HD2 . 30445 1 1228 . 1 1 107 107 PRO HD3 H 1 3.491 0.000 . 2 . . . . A 107 PRO HD3 . 30445 1 1229 . 1 1 107 107 PRO C C 13 175.367 0.211 . 1 . . . . A 107 PRO C . 30445 1 1230 . 1 1 107 107 PRO CA C 13 63.231 0.000 . 1 . . . . A 107 PRO CA . 30445 1 1231 . 1 1 107 107 PRO CB C 13 34.422 0.000 . 1 . . . . A 107 PRO CB . 30445 1 1232 . 1 1 107 107 PRO CG C 13 24.387 0.000 . 1 . . . . A 107 PRO CG . 30445 1 1233 . 1 1 107 107 PRO CD C 13 50.283 0.000 . 1 . . . . A 107 PRO CD . 30445 1 1234 . 1 1 108 108 TYR H H 1 7.353 0.000 . 1 . . . . A 108 TYR H . 30445 1 1235 . 1 1 108 108 TYR HA H 1 4.322 0.000 . 1 . . . . A 108 TYR HA . 30445 1 1236 . 1 1 108 108 TYR HB2 H 1 3.007 0.000 . 2 . . . . A 108 TYR HB2 . 30445 1 1237 . 1 1 108 108 TYR HB3 H 1 2.874 0.000 . 2 . . . . A 108 TYR HB3 . 30445 1 1238 . 1 1 108 108 TYR HD1 H 1 7.042 0.000 . 1 . . . . A 108 TYR HD1 . 30445 1 1239 . 1 1 108 108 TYR HD2 H 1 7.042 0.000 . 1 . . . . A 108 TYR HD2 . 30445 1 1240 . 1 1 108 108 TYR HE1 H 1 6.755 0.000 . 1 . . . . A 108 TYR HE1 . 30445 1 1241 . 1 1 108 108 TYR HE2 H 1 6.755 0.000 . 1 . . . . A 108 TYR HE2 . 30445 1 1242 . 1 1 108 108 TYR CA C 13 59.347 0.000 . 1 . . . . A 108 TYR CA . 30445 1 1243 . 1 1 108 108 TYR CB C 13 39.601 0.000 . 1 . . . . A 108 TYR CB . 30445 1 1244 . 1 1 108 108 TYR CD1 C 13 133.342 0.000 . 1 . . . . A 108 TYR CD1 . 30445 1 1245 . 1 1 108 108 TYR CE1 C 13 118.329 0.000 . 1 . . . . A 108 TYR CE1 . 30445 1 1246 . 1 1 108 108 TYR N N 15 124.019 0.000 . 1 . . . . A 108 TYR N . 30445 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 30445 _Spectral_peak_list.ID 1 _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.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 # INAME 1 1H # INAME 2 1H # INAME 3 13C 2 4.295 2.037 56.552 1 U 1.510e+03 0.00e+00 m 0 14 16 13 0 3 4.295 1.878 56.552 1 U 2.679e+03 0.00e+00 m 0 14 17 13 0 4 4.295 2.234 56.552 1 U 1.011e+03 0.00e+00 m 0 14 22 13 0 5 2.037 4.295 30.861 1 U 1.025e+03 0.00e+00 m 0 16 14 15 0 6 2.037 2.037 30.861 1 U 6.926e+04 0.00e+00 m 0 16 16 15 0 7 2.037 1.878 30.861 1 U 2.298e+04 0.00e+00 m 0 16 17 15 0 8 2.037 2.234 30.861 1 U 7.794e+03 0.00e+00 m 0 16 22 15 0 9 1.878 4.295 30.861 1 U 3.900e+02 0.00e+00 m 0 17 14 15 0 10 1.878 2.037 30.861 1 U 7.154e+04 0.00e+00 m 0 17 16 15 0 11 1.878 1.878 30.861 1 U 2.041e+05 0.00e+00 m 0 17 17 15 0 12 1.878 2.234 30.861 1 U 1.561e+04 0.00e+00 m 0 17 22 15 0 13 2.234 4.295 36.413 1 U 8.990e+02 0.00e+00 m 0 22 14 19 0 14 2.234 2.037 36.413 1 U 2.397e+04 0.00e+00 m 0 22 16 19 0 15 2.234 1.878 36.413 1 U 7.930e+03 0.00e+00 m 0 22 17 19 0 16 2.234 2.234 36.413 1 U 3.517e+05 0.00e+00 m 0 22 22 19 0 17 4.264 4.264 52.544 1 U 2.600e+05 0.00e+00 m 0 29 29 28 0 18 4.264 1.279 52.544 1 U 7.692e+03 0.00e+00 m 0 29 30 28 0 19 1.279 4.264 19.500 1 U -6.443e+03 0.00e+00 m 0 30 29 31 0 20 1.279 1.279 19.500 1 U -1.081e+06 0.00e+00 m 0 30 30 31 0 21 4.168 4.168 60.986 1 U 1.471e+05 0.00e+00 m 0 39 39 38 0 22 4.168 1.780 60.986 1 U 2.783e+03 0.00e+00 m 0 39 41 38 0 23 4.168 0.814 60.986 1 U 3.141e+03 0.00e+00 m 0 39 42 38 0 24 4.168 1.416 60.986 1 U 1.971e+03 0.00e+00 m 0 39 48 38 0 25 4.168 0.782 60.986 1 U 2.723e+03 0.00e+00 m 0 39 51 38 0 26 1.780 4.168 39.277 1 U 7.660e+02 0.00e+00 m 0 41 39 40 0 27 1.780 1.780 39.277 1 U 1.469e+05 0.00e+00 m 0 41 41 40 0 28 1.780 0.814 39.277 1 U 8.930e+03 0.00e+00 m 0 41 42 40 0 29 1.780 1.416 39.277 1 U 4.931e+03 0.00e+00 m 0 41 48 40 0 30 1.780 0.782 39.277 1 U 8.975e+03 0.00e+00 m 0 41 51 40 0 31 0.814 4.168 17.796 1 U -3.434e+03 0.00e+00 m 0 42 39 43 0 32 0.814 1.780 17.796 1 U -9.373e+03 0.00e+00 m 0 42 41 43 0 34 0.814 1.416 17.796 1 U -2.546e+03 0.00e+00 m 0 42 48 43 0 35 0.814 0.782 17.796 1 U -6.130e+05 0.00e+00 m 0 42 51 43 0 41 0.782 4.168 12.939 1 U -1.638e+03 0.00e+00 m 0 51 39 52 0 42 0.782 1.780 12.939 1 U -3.533e+03 0.00e+00 m 0 51 41 52 0 43 0.782 0.814 12.939 1 U -7.013e+05 0.00e+00 m 0 51 42 52 0 44 0.782 1.416 12.939 1 U -5.166e+03 0.00e+00 m 0 51 48 52 0 45 0.782 0.782 12.939 1 U -1.304e+06 0.00e+00 m 0 51 51 52 0 51 4.393 4.393 63.086 1 U 1.316e+05 0.00e+00 m 0 82 82 81 0 53 4.393 2.221 63.086 1 U 6.162e+03 0.00e+00 m 0 82 84 81 0 54 4.393 1.966 63.086 3 U 1.197e+03 0.00e+00 m 0 82 90 81 0 55 4.393 3.859 63.086 1 U 1.221e+03 0.00e+00 m 0 82 91 81 0 56 2.221 4.393 32.161 1 U 6.291e+03 0.00e+00 m 0 84 82 83 0 58 2.221 2.221 32.161 1 U 1.191e+05 0.00e+00 m 0 84 84 83 0 59 2.221 1.966 32.161 3 U 2.333e+04 0.00e+00 m 0 84 90 83 0 60 2.221 3.598 32.161 1 U 1.090e+03 0.00e+00 m 0 84 92 83 0 66 1.966 4.393 27.631 1 U 1.934e+03 0.00e+00 m 0 90 82 87 0 68 1.966 2.221 27.631 1 U 1.638e+04 0.00e+00 m 0 90 84 87 0 69 1.966 1.966 27.631 1 U 1.730e+05 0.00e+00 m 0 90 90 87 0 71 4.035 4.035 61.620 1 U 9.705e+04 0.00e+00 m 0 98 98 97 0 72 4.035 1.773 61.620 1 U 2.646e+03 0.00e+00 m 0 98 100 97 0 73 4.035 0.844 61.620 1 U 3.410e+03 0.00e+00 m 0 98 101 97 0 74 4.035 1.424 61.620 1 U 1.117e+03 0.00e+00 m 0 98 107 97 0 75 4.035 0.785 61.620 1 U 1.343e+03 0.00e+00 m 0 98 110 97 0 76 1.773 4.035 38.928 1 U 3.217e+03 0.00e+00 m 0 100 98 99 0 77 1.773 1.773 38.928 1 U 3.363e+05 0.00e+00 m 0 100 100 99 0 78 1.773 0.844 38.928 1 U 1.625e+04 0.00e+00 m 0 100 101 99 0 79 1.773 1.424 38.928 1 U 9.612e+03 0.00e+00 m 0 100 107 99 0 80 1.773 0.785 38.928 1 U 1.527e+04 0.00e+00 m 0 100 110 99 0 81 0.844 4.035 17.607 1 U -3.692e+03 0.00e+00 m 0 101 98 102 0 82 0.844 1.773 17.607 1 U -8.203e+03 0.00e+00 m 0 101 100 102 0 83 0.844 0.844 17.607 1 U -7.939e+05 0.00e+00 m 0 101 101 102 0 85 0.844 0.785 17.607 1 U -2.301e+05 0.00e+00 m 0 101 110 102 0 86 1.424 4.035 27.948 1 U 7.550e+02 0.00e+00 m 0 107 98 106 0 90 1.424 0.785 27.948 1 U 5.937e+03 0.00e+00 m 0 48 42 47 0 91 0.785 4.035 13.502 1 U -1.427e+03 0.00e+00 m 0 110 98 111 0 92 0.785 1.773 13.502 1 U -3.285e+03 0.00e+00 m 0 110 100 111 0 93 0.785 0.844 13.502 1 U -4.232e+05 0.00e+00 m 0 110 101 111 0 94 0.785 1.424 13.502 1 U -4.414e+03 0.00e+00 m 0 110 107 111 0 95 0.785 0.785 13.502 1 U -8.083e+05 0.00e+00 m 0 110 110 111 0 96 4.279 4.279 52.973 1 U 2.305e+05 0.00e+00 m 0 119 119 118 0 97 4.279 1.347 52.973 1 U 1.096e+04 0.00e+00 m 0 119 120 118 0 98 1.347 4.279 19.500 1 U -8.362e+03 0.00e+00 m 0 120 119 121 0 99 1.347 1.347 19.500 1 U -6.859e+05 0.00e+00 m 0 120 120 121 0 100 4.400 4.400 58.427 1 U 1.063e+05 0.00e+00 m 0 129 129 128 0 101 4.400 3.768 58.427 1 U 1.460e+03 0.00e+00 m 0 129 133 128 0 104 4.439 4.439 58.500 1 U 1.563e+05 0.00e+00 m 0 139 139 138 0 105 4.439 3.834 58.500 1 U 1.154e+04 0.00e+00 m 0 139 143 138 0 106 3.834 4.439 64.435 1 U -3.539e+03 0.00e+00 m 0 143 139 140 0 107 3.834 3.834 64.435 1 U -1.238e+05 0.00e+00 m 0 143 143 140 0 108 4.491 4.491 55.463 1 U 9.461e+04 0.00e+00 m 0 149 149 148 0 109 4.491 2.918 55.463 1 U 1.448e+03 0.00e+00 m 0 149 151 148 0 110 4.491 2.655 55.463 1 U 6.780e+02 0.00e+00 m 0 149 152 148 0 117 4.627 4.627 57.644 1 U 1.210e+04 0.00e+00 m 0 159 159 158 0 118 4.627 2.836 57.644 1 U 6.660e+02 0.00e+00 m 0 159 161 158 0 119 4.627 2.706 57.644 1 U 1.542e+03 0.00e+00 m 0 159 162 158 0 120 2.836 4.627 42.226 1 U 1.979e+03 0.00e+00 m 0 161 159 160 0 121 2.836 2.836 42.226 1 U 1.574e+05 0.00e+00 m 0 161 161 160 0 122 2.836 2.706 42.226 1 U 4.436e+03 0.00e+00 m 0 161 162 160 0 123 2.706 4.627 42.226 1 U 1.772e+03 0.00e+00 m 0 162 159 160 0 124 2.706 2.836 42.226 1 U 3.772e+03 0.00e+00 m 0 162 161 160 0 125 2.706 2.706 42.226 1 U 1.388e+04 0.00e+00 m 0 162 162 160 0 126 4.270 4.270 62.340 1 U 6.772e+04 0.00e+00 m 0 169 169 168 0 127 4.270 4.394 62.340 1 U 9.078e+03 0.00e+00 m 0 169 171 168 0 128 4.270 1.092 62.340 1 U 7.760e+03 0.00e+00 m 0 169 172 168 0 135 4.463 4.463 55.139 1 U 2.129e+05 0.00e+00 m 0 182 182 181 0 136 4.463 1.999 55.144 1 U 5.431e+03 0.00e+00 m 0 182 184 181 0 137 4.463 1.885 55.144 1 U 4.374e+03 0.00e+00 m 0 182 185 181 0 138 4.463 2.117 55.144 1 U 5.841e+03 0.00e+00 m 0 182 190 181 0 139 1.999 4.463 32.122 1 U 4.323e+03 0.00e+00 m 0 184 182 183 0 140 1.999 1.999 32.122 1 U 8.304e+04 0.00e+00 m 0 184 184 183 0 141 1.999 1.885 32.122 1 U 4.583e+04 0.00e+00 m 0 184 185 183 0 142 1.999 2.117 32.122 1 U 2.465e+04 0.00e+00 m 0 184 190 183 0 143 1.885 4.463 32.122 1 U 4.527e+03 0.00e+00 m 0 185 182 183 0 144 1.885 1.999 32.122 1 U 4.698e+04 0.00e+00 m 0 185 184 183 0 145 1.885 1.885 32.122 1 U 9.422e+04 0.00e+00 m 0 185 185 183 0 146 1.885 2.117 32.122 1 U 2.079e+04 0.00e+00 m 0 185 190 183 0 147 2.117 4.463 35.705 1 U 2.550e+03 0.00e+00 m 0 190 182 187 0 148 2.117 1.999 35.705 1 U 2.854e+04 0.00e+00 m 0 190 184 187 0 149 2.117 1.885 35.705 1 U 2.664e+04 0.00e+00 m 0 190 185 187 0 150 2.117 2.117 35.705 1 U 2.672e+05 0.00e+00 m 0 190 190 187 0 151 4.322 4.322 59.765 1 U 7.908e+04 0.00e+00 m 0 197 197 196 0 152 4.322 1.771 59.765 1 U 3.096e+03 0.00e+00 m 0 197 199 196 0 153 4.322 0.657 59.765 1 U 5.294e+03 0.00e+00 m 0 197 200 196 0 154 4.322 0.657 59.765 1 U 5.294e+03 0.00e+00 m 0 197 200 196 0 155 1.771 4.322 35.196 1 U 3.777e+03 0.00e+00 m 0 199 197 198 0 156 1.771 1.771 35.196 1 U 6.272e+04 0.00e+00 m 0 199 199 198 0 157 1.771 0.657 35.196 1 U 1.139e+04 0.00e+00 m 0 199 200 198 0 158 1.771 0.657 35.196 1 U 1.139e+04 0.00e+00 m 0 199 200 198 0 159 0.657 4.322 19.410 1 U -2.309e+03 0.00e+00 m 0 200 197 202 0 160 0.657 1.771 19.410 1 U -6.154e+03 0.00e+00 m 0 200 199 202 0 161 0.657 0.657 19.410 2 U -2.847e+05 0.00e+00 m 0 200 200 202 0 162 0.657 0.657 19.410 1 U -2.847e+05 0.00e+00 m 0 200 200 202 0 163 0.665 4.322 22.652 1 U 3.760e+03 0.00e+00 m 0 201 197 206 0 164 0.665 1.771 22.652 1 U 5.174e+03 0.00e+00 m 0 201 199 206 0 165 0.665 0.665 22.652 1 U 2.142e+05 0.00e+00 m 0 201 201 206 0 166 0.665 0.665 22.652 2 U 2.142e+05 0.00e+00 m 0 201 201 206 0 167 4.565 4.565 57.721 1 U 1.795e+04 0.00e+00 m 0 215 215 214 0 168 4.565 3.770 57.721 1 U 2.751e+03 0.00e+00 m 0 215 219 214 0 169 3.770 4.565 64.701 1 U -4.022e+03 0.00e+00 m 0 219 215 216 0 170 3.777 3.777 64.701 1 U -8.523e+04 0.00e+00 m 0 133 133 130 0 176 4.298 4.298 59.184 1 U 1.622e+05 0.00e+00 m 0 259 259 258 0 177 4.298 1.580 59.184 1 U 4.925e+03 0.00e+00 m 0 259 261 258 0 178 4.298 0.550 59.184 1 U 4.493e+03 0.00e+00 m 0 259 262 258 0 180 4.298 0.554 59.184 1 U 4.493e+03 0.00e+00 m 0 259 262 258 0 181 1.580 4.298 40.897 1 U 5.535e+03 0.00e+00 m 0 261 259 260 0 182 1.580 1.580 40.897 1 U 8.034e+04 0.00e+00 m 0 261 261 260 0 183 1.580 0.550 40.897 1 U 1.099e+04 0.00e+00 m 0 261 262 260 0 185 1.580 0.554 40.897 1 U 1.099e+04 0.00e+00 m 0 261 262 260 0 186 0.550 4.298 17.188 1 U -5.624e+03 0.00e+00 m 0 262 259 263 0 187 0.550 1.580 17.188 1 U -8.748e+03 0.00e+00 m 0 262 261 263 0 188 0.550 0.550 17.188 1 U -4.129e+05 0.00e+00 m 0 262 262 263 0 190 0.550 0.554 17.188 2 U -4.129e+05 0.00e+00 m 0 262 262 263 0 191 1.252 4.298 27.954 1 U 2.711e+03 0.00e+00 m 0 268 259 267 0 192 1.252 1.580 27.954 1 U 4.067e+03 0.00e+00 m 0 268 261 267 0 193 1.252 0.550 27.954 1 U 6.612e+03 0.00e+00 m 0 268 262 267 0 195 1.252 0.554 27.954 1 U 6.612e+03 0.00e+00 m 0 268 262 267 0 197 0.554 1.580 14.254 1 U -5.784e+03 0.00e+00 m 0 271 261 272 0 198 0.554 0.550 14.254 2 U -4.175e+05 0.00e+00 m 0 271 271 272 0 200 0.554 0.554 14.254 1 U -4.175e+05 0.00e+00 m 0 271 271 272 0 201 4.562 4.562 56.735 1 U 1.833e+05 0.00e+00 m 0 280 280 279 0 202 4.562 4.109 56.735 1 U 5.712e+03 0.00e+00 m 0 280 282 279 0 203 4.562 3.786 56.735 1 U 4.550e+03 0.00e+00 m 0 280 283 279 0 204 4.109 4.562 65.174 1 U -4.595e+03 0.00e+00 m 0 282 280 281 0 205 4.109 4.109 65.174 1 U -7.117e+04 0.00e+00 m 0 282 282 281 0 206 4.109 3.786 65.174 1 U -2.990e+04 0.00e+00 m 0 282 283 281 0 207 3.786 4.562 65.174 1 U -4.158e+03 0.00e+00 m 0 283 280 281 0 208 3.786 4.109 65.174 1 U -2.813e+04 0.00e+00 m 0 283 282 281 0 209 3.786 3.786 65.174 1 U -8.086e+04 0.00e+00 m 0 283 283 281 0 210 3.749 3.749 59.487 1 U 6.826e+04 0.00e+00 m 0 290 290 289 0 211 3.749 1.847 59.487 1 U 8.476e+03 0.00e+00 m 0 290 294 289 0 212 3.749 1.662 59.487 1 U 3.550e+03 0.00e+00 m 0 290 298 289 0 213 3.749 3.229 59.487 1 U 1.905e+03 0.00e+00 m 0 290 302 289 0 214 1.847 3.749 29.566 1 U 3.539e+03 0.00e+00 m 0 294 290 291 0 215 1.847 1.847 29.566 1 U 1.012e+05 0.00e+00 m 0 294 294 291 0 216 1.847 1.662 29.566 1 U 2.410e+04 0.00e+00 m 0 294 298 291 0 217 1.847 3.229 29.566 1 U 2.045e+03 0.00e+00 m 0 294 302 291 0 218 1.662 3.749 27.914 1 U 1.806e+03 0.00e+00 m 0 298 290 295 0 219 1.662 1.847 27.914 1 U 1.784e+04 0.00e+00 m 0 298 294 295 0 220 1.662 1.662 27.914 1 U 1.314e+05 0.00e+00 m 0 298 298 295 0 221 1.662 3.229 27.914 1 U 6.700e+03 0.00e+00 m 0 298 302 295 0 222 3.229 3.749 43.496 1 U 3.132e+03 0.00e+00 m 0 302 290 299 0 223 3.229 1.847 43.496 1 U 8.623e+03 0.00e+00 m 0 302 294 299 0 224 3.229 1.662 43.496 1 U 1.734e+04 0.00e+00 m 0 302 298 299 0 225 3.229 3.229 43.496 1 U 4.309e+05 0.00e+00 m 0 302 302 299 0 226 3.963 3.963 58.729 1 U 7.499e+04 0.00e+00 m 0 316 316 315 0 227 3.963 1.715 58.729 1 U 9.578e+03 0.00e+00 m 0 316 320 315 0 228 3.963 1.580 58.729 1 U 3.584e+03 0.00e+00 m 0 316 324 315 0 229 3.963 3.135 58.729 1 U 1.538e+03 0.00e+00 m 0 316 328 315 0 231 1.715 1.715 29.766 1 U 2.139e+05 0.00e+00 m 0 320 320 317 0 232 1.715 1.580 29.766 1 U 3.749e+04 0.00e+00 m 0 320 324 317 0 233 1.715 3.135 29.766 1 U 2.839e+03 0.00e+00 m 0 320 328 317 0 234 1.580 3.963 26.653 1 U -2.400e+01 0.00e+00 m 0 324 316 321 0 235 1.580 1.715 26.653 1 U 5.720e+03 0.00e+00 m 0 324 320 321 0 236 1.580 1.580 26.653 1 U 5.881e+04 0.00e+00 m 0 324 324 321 0 237 1.580 3.135 26.653 1 U 1.349e+03 0.00e+00 m 0 324 328 321 0 238 3.135 3.963 43.293 1 U 9.790e+02 0.00e+00 m 0 328 316 325 0 239 3.135 1.715 43.293 1 U 6.026e+03 0.00e+00 m 0 328 320 325 0 240 3.135 1.580 43.293 1 U 1.420e+04 0.00e+00 m 0 328 324 325 0 242 3.933 3.933 57.644 1 U 6.363e+04 0.00e+00 m 0 342 342 341 0 243 3.933 1.515 57.644 1 U 7.385e+03 0.00e+00 m 0 342 346 341 0 244 3.933 1.415 57.644 1 U 3.698e+03 0.00e+00 m 0 342 348 341 0 246 3.933 0.705 57.644 1 U 2.843e+03 0.00e+00 m 0 342 350 341 0 247 1.515 3.933 42.111 1 U 5.230e+03 0.00e+00 m 0 346 342 343 0 248 1.515 1.515 42.111 1 U 2.545e+05 0.00e+00 m 0 346 346 343 0 249 1.515 1.415 42.111 1 U 3.695e+04 0.00e+00 m 0 346 348 343 0 251 1.515 0.705 42.111 1 U 5.198e+03 0.00e+00 m 0 346 350 343 0 257 0.705 3.933 24.777 1 U 4.022e+03 0.00e+00 m 0 350 342 355 0 258 0.705 1.515 24.777 1 U 5.640e+03 0.00e+00 m 0 350 346 355 0 259 0.705 1.415 24.777 1 U 3.846e+03 0.00e+00 m 0 350 348 355 0 261 0.705 0.705 24.777 1 U 5.592e+05 0.00e+00 m 0 350 350 355 0 262 3.431 3.431 56.963 1 U 3.363e+04 0.00e+00 m 0 364 364 363 0 263 3.431 1.343 56.963 1 U 2.048e+03 0.00e+00 m 0 364 366 363 0 264 3.431 0.187 56.963 1 U 2.847e+03 0.00e+00 m 0 364 367 363 0 265 3.431 1.152 56.963 1 U 1.636e+03 0.00e+00 m 0 364 370 363 0 266 3.431 0.258 56.963 1 U 1.600e+03 0.00e+00 m 0 364 371 363 0 267 3.431 -0.265 56.963 1 U 5.431e+03 0.00e+00 m 0 364 372 363 0 268 1.343 3.431 39.925 1 U 2.127e+03 0.00e+00 m 0 366 364 365 0 269 1.343 1.343 39.925 1 U 1.326e+04 0.00e+00 m 0 366 366 365 0 270 1.343 0.187 39.925 1 U 1.104e+04 0.00e+00 m 0 366 367 365 0 271 1.343 1.152 39.925 1 U 3.052e+03 0.00e+00 m 0 366 370 365 0 272 1.343 0.258 39.925 1 U 5.126e+03 0.00e+00 m 0 366 371 365 0 273 1.343 -0.265 39.925 1 U 1.843e+03 0.00e+00 m 0 366 372 365 0 274 0.187 3.431 40.135 1 U 1.846e+03 0.00e+00 m 0 367 364 365 0 275 0.187 1.343 40.135 1 U 7.408e+03 0.00e+00 m 0 367 366 365 0 276 0.187 0.187 40.135 1 U 1.019e+04 0.00e+00 m 0 367 367 365 0 277 0.187 1.152 40.135 1 U 1.413e+03 0.00e+00 m 0 367 370 365 0 278 0.187 0.258 40.135 1 U 3.942e+03 0.00e+00 m 0 367 371 365 0 279 0.187 -0.265 40.135 1 U 1.871e+03 0.00e+00 m 0 367 372 365 0 280 0.258 3.431 25.991 1 U 2.408e+03 0.00e+00 m 0 371 364 373 0 281 0.258 1.343 25.991 1 U 5.158e+03 0.00e+00 m 0 371 366 373 0 282 0.258 0.187 25.991 1 U 2.732e+04 0.00e+00 m 0 371 367 373 0 283 0.258 1.152 25.991 1 U 2.269e+04 0.00e+00 m 0 371 370 373 0 284 0.258 0.258 25.991 1 U 1.854e+05 0.00e+00 m 0 371 371 373 0 285 0.258 -0.265 25.991 1 U 1.240e+04 0.00e+00 m 0 371 372 373 0 286 -0.265 3.431 22.957 1 U 8.975e+03 0.00e+00 m 0 372 364 377 0 287 -0.265 1.343 22.957 1 U 2.368e+03 0.00e+00 m 0 372 366 377 0 288 -0.265 0.187 22.957 1 U 5.318e+03 0.00e+00 m 0 372 367 377 0 289 -0.265 1.152 22.957 1 U 7.283e+03 0.00e+00 m 0 372 370 377 0 290 -0.265 0.258 22.957 1 U 1.229e+04 0.00e+00 m 0 372 371 377 0 291 -0.265 -0.265 22.957 1 U 2.041e+05 0.00e+00 m 0 372 372 377 0 292 4.158 4.158 58.300 1 U 8.702e+04 0.00e+00 m 0 386 386 385 0 294 4.158 2.454 58.300 1 U 2.386e+03 0.00e+00 m 0 386 392 385 0 295 2.121 4.158 30.289 1 U 4.215e+03 0.00e+00 m 0 388 386 387 0 296 2.121 2.121 30.289 1 U 4.171e+04 0.00e+00 m 0 388 388 387 0 298 2.454 4.158 36.818 1 U 2.747e+03 0.00e+00 m 0 392 386 391 0 301 4.465 4.465 54.815 1 U 1.185e+05 0.00e+00 m 0 401 401 400 0 302 4.465 2.075 54.815 1 U 4.345e+03 0.00e+00 m 0 401 403 400 0 303 4.465 1.764 54.815 1 U 2.972e+03 0.00e+00 m 0 401 404 400 0 305 4.465 3.115 54.815 1 U 1.184e+03 0.00e+00 m 0 401 413 400 0 306 2.075 4.465 31.344 1 U 4.130e+03 0.00e+00 m 0 403 401 402 0 307 2.075 2.075 31.344 1 U 3.004e+04 0.00e+00 m 0 403 403 402 0 308 2.075 1.764 31.344 1 U 2.134e+04 0.00e+00 m 0 403 404 402 0 310 2.075 3.115 31.344 1 U 2.266e+03 0.00e+00 m 0 403 413 402 0 311 1.764 4.465 31.344 1 U 2.255e+03 0.00e+00 m 0 404 401 402 0 312 1.764 2.075 31.344 1 U 1.538e+04 0.00e+00 m 0 404 403 402 0 315 1.764 3.115 31.344 1 U 3.141e+03 0.00e+00 m 0 404 413 402 0 316 1.705 4.465 27.509 1 U 1.510e+03 0.00e+00 m 0 407 401 406 0 318 1.705 1.764 27.509 1 U 2.609e+04 0.00e+00 m 0 407 404 406 0 319 1.705 1.705 27.509 1 U 6.135e+04 0.00e+00 m 0 407 407 406 0 320 1.705 3.115 27.509 1 U 2.924e+03 0.00e+00 m 0 407 413 406 0 326 3.933 3.933 63.779 1 U 1.325e+05 0.00e+00 m 0 427 427 426 0 327 3.933 2.145 63.779 1 U 1.548e+03 0.00e+00 m 0 427 429 426 0 328 3.933 1.005 63.779 1 U 2.486e+03 0.00e+00 m 0 427 431 426 0 330 2.145 3.933 33.000 1 U 1.660e+03 0.00e+00 m 0 429 427 428 0 331 2.145 2.145 33.127 1 U 2.881e+04 0.00e+00 m 0 429 429 428 0 332 2.145 0.788 33.000 1 U 7.123e+03 0.00e+00 m 0 429 430 428 0 333 2.145 1.005 33.000 1 U 6.500e+03 0.00e+00 m 0 429 431 428 0 334 0.788 3.933 24.777 1 U 1.171e+04 0.00e+00 m 0 430 427 432 0 335 0.788 2.145 24.777 1 U 6.877e+03 0.00e+00 m 0 430 429 432 0 336 0.788 0.788 24.777 1 U 8.443e+05 0.00e+00 m 0 430 430 432 0 337 0.788 1.005 24.777 1 U 9.407e+03 0.00e+00 m 0 430 431 432 0 338 1.005 3.933 22.806 1 U 2.980e+03 0.00e+00 m 0 431 427 436 0 339 1.005 2.145 22.806 1 U 8.919e+03 0.00e+00 m 0 431 429 436 0 340 1.005 0.788 22.806 1 U 1.216e+04 0.00e+00 m 0 431 430 436 0 341 1.005 1.005 22.806 1 U 1.980e+05 0.00e+00 m 0 431 431 436 0 342 4.998 4.998 54.311 1 U 5.251e+04 0.00e+00 m 0 445 445 444 0 343 4.998 2.829 54.311 1 U 6.676e+03 0.00e+00 m 0 445 449 444 0 344 2.829 4.998 40.932 1 U 4.845e+03 0.00e+00 m 0 449 445 446 0 345 2.829 2.829 40.932 1 U 7.581e+04 0.00e+00 m 0 449 449 446 0 346 5.304 5.304 54.526 1 U 1.223e+04 0.00e+00 m 0 487 487 486 0 347 5.304 1.794 54.526 1 U 2.859e+03 0.00e+00 m 0 487 491 486 0 349 5.304 3.242 54.526 1 U 6.120e+02 0.00e+00 m 0 487 497 486 0 350 1.794 5.304 35.278 1 U 9.640e+02 0.00e+00 m 0 491 487 488 0 351 1.771 1.771 35.278 1 U 2.712e+04 0.00e+00 m 0 199 199 198 0 353 1.794 3.242 35.278 1 U 4.730e+02 0.00e+00 m 0 491 497 488 0 354 1.592 5.304 28.272 1 U 6.100e+02 0.00e+00 m 0 493 487 492 0 355 1.592 1.794 28.272 1 U 1.096e+04 0.00e+00 m 0 493 491 492 0 357 1.592 3.242 28.272 1 U 1.608e+03 0.00e+00 m 0 493 497 492 0 358 3.242 5.304 43.809 1 U 4.560e+02 0.00e+00 m 0 497 487 496 0 359 3.242 1.794 43.809 1 U 4.141e+03 0.00e+00 m 0 497 491 496 0 361 3.242 3.242 43.809 1 U 1.142e+05 0.00e+00 m 0 497 497 496 0 362 4.440 4.440 60.057 1 U 1.804e+04 0.00e+00 m 0 513 513 512 0 363 4.440 1.785 60.057 1 U 1.247e+03 0.00e+00 m 0 513 491 512 0 364 4.440 0.790 60.057 1 U 5.085e+03 0.00e+00 m 0 513 516 512 0 365 4.440 1.342 60.057 1 U 3.686e+03 0.00e+00 m 0 513 522 512 0 366 4.440 1.143 60.057 1 U 7.260e+02 0.00e+00 m 0 513 523 512 0 367 4.440 0.737 60.057 1 U 2.759e+03 0.00e+00 m 0 513 525 512 0 368 1.785 4.440 38.928 1 U 2.707e+03 0.00e+00 m 0 515 513 514 0 369 1.785 1.785 38.928 1 U 2.901e+05 0.00e+00 m 0 100 100 99 0 370 1.785 0.790 38.928 1 U 1.632e+04 0.00e+00 m 0 100 110 99 0 371 1.785 1.342 38.928 1 U 6.194e+03 0.00e+00 m 0 515 522 514 0 372 1.785 1.143 38.928 1 U 7.260e+03 0.00e+00 m 0 100 108 99 0 374 0.790 4.440 17.266 1 U -1.948e+03 0.00e+00 m 0 516 513 517 0 375 0.790 1.785 17.266 1 U -3.361e+03 0.00e+00 m 0 516 515 517 0 376 0.790 0.790 17.266 1 U -1.154e+05 0.00e+00 m 0 516 516 517 0 377 0.790 1.342 17.266 1 U -1.450e+03 0.00e+00 m 0 516 522 517 0 378 0.790 1.143 17.266 1 U -1.528e+03 0.00e+00 m 0 516 523 517 0 380 1.342 4.440 27.893 1 U 9.620e+02 0.00e+00 m 0 522 513 521 0 381 1.342 1.785 27.893 1 U 2.104e+03 0.00e+00 m 0 522 515 521 0 382 1.342 0.790 27.893 1 U 6.773e+03 0.00e+00 m 0 522 516 521 0 383 1.342 1.342 27.893 1 U 2.188e+04 0.00e+00 m 0 522 522 521 0 384 1.342 1.143 27.893 1 U 1.638e+04 0.00e+00 m 0 522 523 521 0 385 1.342 0.737 27.893 1 U 5.993e+03 0.00e+00 m 0 522 525 521 0 386 1.143 4.440 27.893 1 U 1.425e+03 0.00e+00 m 0 523 513 521 0 387 1.143 1.785 27.893 1 U 2.827e+03 0.00e+00 m 0 49 41 47 0 388 1.143 0.790 27.893 1 U 9.100e+03 0.00e+00 m 0 49 42 47 0 389 1.143 1.342 27.893 1 U 1.504e+04 0.00e+00 m 0 523 522 521 0 390 1.143 1.143 27.893 1 U 6.590e+04 0.00e+00 m 0 49 49 47 0 391 1.143 0.737 27.893 1 U 6.483e+03 0.00e+00 m 0 523 525 521 0 392 0.737 4.440 12.100 1 U -4.612e+03 0.00e+00 m 0 525 513 526 0 393 0.737 1.785 12.100 1 U -3.704e+03 0.00e+00 m 0 525 515 526 0 394 0.737 0.790 12.100 1 U -2.039e+05 0.00e+00 m 0 525 516 526 0 395 0.737 1.342 12.100 1 U -6.508e+03 0.00e+00 m 0 525 522 526 0 396 0.737 1.143 12.100 1 U -7.203e+03 0.00e+00 m 0 525 523 526 0 397 0.737 0.737 12.100 1 U -3.620e+05 0.00e+00 m 0 525 525 526 0 398 4.677 4.677 54.688 1 U -1.670e+03 0.00e+00 m 0 534 534 533 0 399 4.677 2.030 54.688 1 U 4.820e+02 0.00e+00 m 0 534 538 533 0 400 4.677 2.387 54.688 1 U 5.800e+01 0.00e+00 m 0 534 540 533 0 401 4.677 2.246 54.688 1 U -9.100e+01 0.00e+00 m 0 534 541 533 0 402 2.030 4.677 32.156 1 U 2.315e+03 0.00e+00 m 0 538 534 535 0 403 2.030 2.030 32.156 1 U 5.270e+04 0.00e+00 m 0 538 538 535 0 404 2.030 2.387 32.156 1 U 1.727e+03 0.00e+00 m 0 538 540 535 0 405 2.030 2.246 32.156 1 U 2.431e+03 0.00e+00 m 0 538 541 535 0 406 2.387 4.677 34.895 1 U 9.230e+02 0.00e+00 m 0 540 534 539 0 407 2.387 2.030 34.895 1 U 3.965e+03 0.00e+00 m 0 540 538 539 0 408 2.387 2.387 34.895 1 U 7.862e+03 0.00e+00 m 0 540 540 539 0 409 2.387 2.246 34.895 1 U 5.793e+03 0.00e+00 m 0 540 541 539 0 410 2.246 4.677 34.895 1 U 1.327e+03 0.00e+00 m 0 541 534 539 0 411 2.246 2.030 34.895 1 U 7.408e+03 0.00e+00 m 0 541 538 539 0 412 2.246 2.387 34.895 1 U 5.784e+03 0.00e+00 m 0 541 540 539 0 413 2.246 2.246 34.895 1 U 1.491e+04 0.00e+00 m 0 541 541 539 0 414 4.444 4.444 55.463 1 U 1.476e+05 0.00e+00 m 0 552 552 551 0 415 4.444 1.758 55.463 1 U 6.532e+03 0.00e+00 m 0 552 554 551 0 416 4.444 1.794 55.463 1 U 7.283e+03 0.00e+00 m 0 552 555 551 0 417 4.444 3.113 55.463 1 U 9.400e+02 0.00e+00 m 0 552 564 551 0 418 1.758 4.444 33.127 1 U 7.500e+02 0.00e+00 m 0 554 552 553 0 419 1.758 1.758 33.127 1 U 2.323e+05 0.00e+00 m 0 554 554 553 0 420 1.758 1.794 33.127 1 U 1.176e+05 0.00e+00 m 0 554 555 553 0 421 1.758 3.113 33.127 1 U 2.380e+02 0.00e+00 m 0 554 564 553 0 422 1.794 4.444 33.127 1 U 1.554e+03 0.00e+00 m 0 555 552 553 0 423 1.794 1.758 33.127 1 U 1.238e+05 0.00e+00 m 0 555 554 553 0 424 1.794 1.794 33.127 1 U 1.189e+05 0.00e+00 m 0 555 555 553 0 425 1.794 3.113 33.127 1 U 6.520e+02 0.00e+00 m 0 555 564 553 0 426 3.113 4.456 43.630 1 U 1.377e+03 0.00e+00 m 0 413 401 410 0 427 3.113 1.758 43.630 1 U 1.353e+04 0.00e+00 m 0 413 404 410 0 429 3.113 3.113 43.630 1 U 1.518e+06 0.00e+00 m 0 413 413 410 0 430 4.323 4.323 51.710 1 U 4.024e+04 0.00e+00 m 0 578 578 577 0 431 4.323 1.165 51.710 1 U 8.351e+03 0.00e+00 m 0 578 579 577 0 432 1.165 4.323 17.756 1 U -1.068e+04 0.00e+00 m 0 579 578 580 0 433 1.165 1.165 17.756 1 U -2.829e+05 0.00e+00 m 0 579 579 580 0 434 4.599 4.599 53.250 1 U 6.190e+04 0.00e+00 m 0 588 588 587 0 435 4.599 2.928 53.250 1 U 4.601e+03 0.00e+00 m 0 588 590 587 0 436 4.599 2.491 53.250 1 U 3.715e+03 0.00e+00 m 0 588 591 587 0 437 2.928 4.599 41.178 1 U 2.707e+03 0.00e+00 m 0 590 588 589 0 438 2.928 2.928 41.178 1 U 2.166e+04 0.00e+00 m 0 590 590 589 0 439 2.928 2.491 41.178 1 U 1.525e+04 0.00e+00 m 0 590 591 589 0 440 2.491 4.599 41.178 1 U 2.988e+03 0.00e+00 m 0 591 588 589 0 441 2.491 2.928 41.178 1 U 1.388e+04 0.00e+00 m 0 591 590 589 0 442 2.491 2.491 41.178 1 U 1.822e+04 0.00e+00 m 0 591 591 589 0 444 4.565 4.565 56.382 1 U 3.970e+05 0.00e+00 m 0 606 606 605 0 445 4.565 2.642 56.382 1 U 6.773e+03 0.00e+00 m 0 606 610 605 0 446 2.642 4.565 41.791 1 U 4.203e+03 0.00e+00 m 0 610 606 607 0 447 2.642 2.642 41.791 1 U 1.643e+05 0.00e+00 m 0 610 610 607 0 448 4.955 4.955 52.511 1 U 3.063e+04 0.00e+00 m 0 617 617 616 0 449 4.955 3.435 52.511 1 U 4.078e+03 0.00e+00 m 0 617 619 616 0 450 4.955 2.888 52.511 1 U 1.636e+03 0.00e+00 m 0 617 620 616 0 451 3.435 4.955 39.925 1 U 2.883e+03 0.00e+00 m 0 619 617 618 0 452 3.435 3.435 39.925 1 U 1.284e+04 0.00e+00 m 0 619 619 618 0 453 3.435 2.888 39.925 1 U 1.070e+04 0.00e+00 m 0 619 620 618 0 454 2.888 4.955 39.925 1 U 2.306e+03 0.00e+00 m 0 620 617 618 0 455 2.888 3.435 39.925 1 U 1.136e+04 0.00e+00 m 0 620 619 618 0 456 2.888 2.888 39.925 1 U 5.881e+04 0.00e+00 m 0 620 620 618 0 457 4.644 4.644 55.197 1 U 1.434e+04 0.00e+00 m 0 627 627 626 0 458 4.644 2.624 55.197 1 U 3.100e+03 0.00e+00 m 0 627 631 626 0 459 2.624 4.644 41.819 1 U 7.748e+03 0.00e+00 m 0 631 627 628 0 460 2.624 2.624 41.819 1 U 1.951e+05 0.00e+00 m 0 610 610 607 0 461 4.520 4.520 53.839 1 U 8.535e+04 0.00e+00 m 0 638 638 637 0 462 4.520 1.369 53.854 1 U 8.146e+03 0.00e+00 m 0 638 642 637 0 463 4.520 0.757 53.854 1 U 1.994e+03 0.00e+00 m 0 638 645 637 0 464 4.520 0.631 53.854 1 U 1.367e+03 0.00e+00 m 0 638 646 637 0 465 1.369 4.520 45.568 1 U 3.253e+03 0.00e+00 m 0 642 638 639 0 466 1.369 1.369 45.568 1 U 6.554e+04 0.00e+00 m 0 642 642 639 0 467 1.369 0.757 45.568 1 U 2.510e+03 0.00e+00 m 0 642 645 639 0 468 1.369 0.631 45.568 1 U 3.925e+03 0.00e+00 m 0 642 646 639 0 469 0.631 4.520 25.358 1 U 3.669e+03 0.00e+00 m 0 646 638 651 0 470 0.631 1.369 25.358 1 U 2.751e+03 0.00e+00 m 0 646 642 651 0 471 0.631 0.757 25.358 1 U 1.314e+04 0.00e+00 m 0 646 645 651 0 472 0.631 0.631 25.358 1 U 4.180e+05 0.00e+00 m 0 646 646 651 0 473 4.603 4.603 51.053 1 U 1.166e+04 0.00e+00 m 0 660 660 659 0 474 4.603 1.361 51.053 1 U 4.317e+03 0.00e+00 m 0 660 661 659 0 475 1.361 4.603 19.665 1 U -9.191e+03 0.00e+00 m 0 661 660 662 0 477 4.614 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1215 1204 0 1804 1.561 4.106 29.566 1 U 1.281e+03 0.00e+00 m 0 1211 1199 1208 0 1809 1.561 2.856 29.566 1 U 4.363e+03 0.00e+00 m 0 1211 1215 1208 0 1810 1.561 1.739 29.566 1 U -7.964e+03 0.00e+00 m 0 1211 1203 1208 0 1811 1.561 1.561 29.566 1 U 2.272e+05 0.00e+00 m 0 1211 1211 1208 0 1814 1.739 2.856 33.127 1 U 5.800e+02 0.00e+00 m 0 1203 1215 1200 0 1816 1.739 1.561 33.127 1 U 2.298e+04 0.00e+00 m 0 1203 1211 1200 0 1817 1.739 1.383 33.127 1 U 1.186e+04 0.00e+00 m 0 1203 1207 1200 0 1818 4.106 1.739 57.574 1 U 5.672e+03 0.00e+00 m 0 1199 1203 1198 0 1819 4.106 1.561 57.574 1 U 2.835e+03 0.00e+00 m 0 1199 1211 1198 0 1820 4.106 1.383 57.574 1 U 3.516e+03 0.00e+00 m 0 1199 1207 1198 0 1821 1.383 1.739 25.682 1 U 1.004e+04 0.00e+00 m 0 1207 1203 1204 0 1822 1.383 1.561 25.682 1 U 1.659e+04 0.00e+00 m 0 1207 1211 1204 0 1823 1.383 1.383 25.682 1 U 1.060e+05 0.00e+00 m 0 1207 1207 1204 0 1824 1.561 1.383 29.566 1 U 8.271e+03 0.00e+00 m 0 1211 1190 1208 0 1826 2.856 4.106 42.191 1 U 5.500e+02 0.00e+00 m 0 1215 1199 1212 0 1827 2.856 1.739 42.191 1 U 1.526e+03 0.00e+00 m 0 1215 1203 1212 0 1828 2.856 1.561 42.191 1 U 7.010e+03 0.00e+00 m 0 1215 1211 1212 0 1829 2.856 1.383 42.191 1 U 3.834e+03 0.00e+00 m 0 1215 1207 1212 0 1834 2.801 2.914 37.983 1 U 3.095e+04 0.00e+00 m 0 1252 1251 1250 0 1837 2.914 2.914 37.983 1 U 2.703e+04 0.00e+00 m 0 1251 1251 1250 0 1838 2.914 2.801 37.983 1 U 2.455e+04 0.00e+00 m 0 1251 1252 1250 0 1839 2.801 2.801 37.983 1 U 2.587e+04 0.00e+00 m 0 1252 1252 1250 0 1889 4.262 2.950 56.603 1 U -1.090e+02 0.00e+00 m 0 1224 1240 1223 0 1960 4.394 4.394 69.364 1 U -4.319e+04 0.00e+00 m 0 171 171 170 0 1962 4.394 4.270 69.364 1 U -8.089e+03 0.00e+00 m 0 171 169 170 0 1963 1.092 4.394 21.815 1 U -1.004e+04 0.00e+00 m 0 172 171 174 0 1964 4.394 1.092 69.364 1 U -9.862e+03 0.00e+00 m 0 171 172 170 0 1967 1.092 4.270 21.815 1 U -9.180e+03 0.00e+00 m 0 172 169 174 0 1973 1.092 1.092 21.815 1 U -4.057e+05 0.00e+00 m 0 172 172 174 0 1977 3.007 4.322 39.601 1 U 2.224e+03 0.00e+00 m 0 1818 1816 1817 0 1998 4.481 4.481 57.405 1 U 3.372e+04 0.00e+00 m 0 1437 1437 1436 0 2000 4.593 4.594 52.873 4 U 5.425e+04 0.00e+00 m 0 0 0 0 0 2003 0.816 4.600 23.740 4 U 1.800e+03 0.00e+00 m 0 0 0 0 0 2004 0.849 4.594 25.358 4 U 2.002e+03 0.00e+00 m 0 0 0 0 0 2005 1.518 4.600 42.514 4 U 2.936e+03 0.00e+00 m 0 0 0 0 0 2007 4.346 4.342 63.879 4 U 2.111e+05 0.00e+00 m 0 0 0 0 0 2008 3.717 4.334 51.254 4 U 7.500e+01 0.00e+00 m 0 0 0 0 0 2009 3.581 4.341 51.254 4 U 1.000e+01 0.00e+00 m 0 0 0 0 0 2012 1.433 4.520 26.660 1 U 8.770e+02 0.00e+00 m 0 644 638 643 0 2013 1.433 1.433 26.660 1 U 5.463e+04 0.00e+00 m 0 644 644 643 0 2014 1.433 1.369 26.660 1 U 3.627e+04 0.00e+00 m 0 644 642 643 0 2015 1.433 0.757 26.660 1 U -3.245e+03 0.00e+00 m 0 644 645 643 0 2016 1.433 0.631 26.660 1 U -1.837e+03 0.00e+00 m 0 644 646 643 0 2017 4.520 1.433 53.854 1 U 3.550e+03 0.00e+00 m 0 638 644 637 0 2018 1.369 1.433 45.568 1 U 2.840e+04 0.00e+00 m 0 642 644 639 0 2019 0.757 1.433 24.711 1 U -3.373e+03 0.00e+00 m 0 645 644 647 0 2020 0.631 1.433 25.358 1 U -1.141e+03 0.00e+00 m 0 646 644 651 0 2029 1.415 3.933 27.300 1 U 2.082e+03 0.00e+00 m 0 348 342 347 0 2030 1.415 1.515 27.300 1 U 1.142e+04 0.00e+00 m 0 348 346 347 0 2031 1.415 1.415 27.300 1 U 2.600e+05 0.00e+00 m 0 348 348 347 0 2032 1.415 0.785 27.300 1 U 1.102e+04 0.00e+00 m 0 348 349 347 0 2033 1.415 0.705 27.300 1 U 3.908e+03 0.00e+00 m 0 348 350 347 0 2034 1.515 0.785 42.111 1 U 7.794e+03 0.00e+00 m 0 346 349 343 0 2035 3.933 0.785 57.644 1 U 4.981e+03 0.00e+00 m 0 342 349 341 0 2036 0.705 0.785 24.777 1 U 5.763e+04 0.00e+00 m 0 350 349 355 0 2046 0.881 4.542 14.694 1 U -2.334e+03 0.00e+00 m 0 710 698 711 0 2047 0.881 1.848 14.694 1 U -5.817e+03 0.00e+00 m 0 710 700 711 0 2048 0.881 1.060 14.694 1 U -1.402e+04 0.00e+00 m 0 710 708 711 0 2049 0.881 0.881 14.694 1 U -2.157e+05 0.00e+00 m 0 710 710 711 0 2050 0.881 0.671 14.694 1 U -1.305e+04 0.00e+00 m 0 710 701 711 0 2051 1.060 4.542 28.272 1 U 1.626e+03 0.00e+00 m 0 708 698 706 0 2052 1.060 1.848 28.272 1 U 1.361e+03 0.00e+00 m 0 708 700 706 0 2053 1.060 1.060 28.272 1 U 1.722e+04 0.00e+00 m 0 708 708 706 0 2054 1.060 0.881 28.272 1 U 8.078e+03 0.00e+00 m 0 708 710 706 0 2055 1.060 0.671 28.272 1 U 3.510e+03 0.00e+00 m 0 708 701 706 0 2061 1.348 4.337 43.162 4 U 3.580e+02 0.00e+00 m 0 0 0 0 0 2062 1.523 4.331 43.162 4 U 5.900e+01 0.00e+00 m 0 0 0 0 0 2063 1.350 1.331 43.162 4 U 5.142e+03 0.00e+00 m 0 0 0 0 0 2064 1.524 1.521 43.162 4 U 7.567e+03 0.00e+00 m 0 0 0 0 0 2065 4.344 4.345 52.873 4 U 1.820e+04 0.00e+00 m 0 0 0 0 0 2066 0.837 4.348 23.416 4 U 8.440e+02 0.00e+00 m 0 0 0 0 0 2067 0.821 1.522 23.416 4 U 1.458e+03 0.00e+00 m 0 0 0 0 0 2068 0.821 1.522 23.416 4 U 1.458e+03 0.00e+00 m 0 0 0 0 0 2069 0.821 1.334 23.416 4 U 1.040e+02 0.00e+00 m 0 0 0 0 0 2070 0.825 0.829 23.416 4 U 1.512e+05 0.00e+00 m 0 0 0 0 0 2081 2.985 2.985 32.803 1 U 6.908e+04 0.00e+00 m 0 244 244 243 0 2082 2.924 2.985 32.803 1 U 5.936e+04 0.00e+00 m 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931 929 0 4367 3.793 3.793 64.840 1 U -7.081e+04 0.00e+00 m 0 930 930 929 0 4369 3.628 4.496 64.840 1 U -2.618e+03 0.00e+00 m 0 931 928 929 0 4370 3.628 4.750 64.840 1 U -7.630e+02 0.00e+00 m 0 931 242 929 0 4371 3.628 2.767 64.840 1 U -1.373e+03 0.00e+00 m 0 931 957 929 0 4373 3.793 4.500 64.840 1 U -3.539e+03 0.00e+00 m 0 930 928 929 0 4374 3.793 4.740 64.840 1 U -1.680e+03 0.00e+00 m 0 930 242 929 0 4377 3.628 8.359 64.840 1 U -3.596e+03 0.00e+00 m 0 931 926 929 0 4378 3.793 8.363 64.840 1 U -3.116e+03 0.00e+00 m 0 930 926 929 0 4381 4.501 4.501 57.722 1 U 8.446e+04 0.00e+00 m 0 928 928 927 0 4388 4.501 3.780 57.722 1 U 1.295e+03 0.00e+00 m 0 928 930 927 0 4389 4.501 3.638 57.722 1 U 1.093e+03 0.00e+00 m 0 928 931 927 0 4392 2.668 4.558 40.250 1 U 2.050e+03 0.00e+00 m 0 974 971 972 0 4393 2.643 7.383 41.220 1 U 2.330e+02 0.00e+00 m 0 0 0 0 0 4394 3.259 7.317 30.866 1 U 5.030e+02 0.00e+00 m 0 956 969 955 0 4395 2.783 7.330 30.866 1 U 4.720e+02 0.00e+00 m 0 957 969 955 0 4396 2.783 3.655 30.866 1 U 3.820e+02 0.00e+00 m 0 957 931 955 0 4397 3.246 3.655 30.970 1 U 2.220e+02 0.00e+00 m 0 956 931 955 0 4398 2.815 2.806 31.837 1 U 2.127e+04 0.00e+00 m 0 0 0 0 0 4399 3.091 2.799 31.837 1 U 1.101e+04 0.00e+00 m 0 0 0 0 0 4400 3.091 3.104 31.837 1 U 4.146e+04 0.00e+00 m 0 0 0 0 0 4401 2.815 3.104 31.837 1 U 1.584e+04 0.00e+00 m 0 0 0 0 0 4402 2.815 4.491 31.837 1 U 2.246e+03 0.00e+00 m 0 0 0 0 0 4403 2.815 4.730 31.837 1 U 3.920e+02 0.00e+00 m 0 0 0 0 0 4404 2.815 7.045 31.837 1 U 8.830e+02 0.00e+00 m 0 0 0 0 0 4405 3.091 4.497 31.837 1 U 2.980e+03 0.00e+00 m 0 0 0 0 0 4406 3.091 4.742 31.837 1 U 3.960e+02 0.00e+00 m 0 0 0 0 0 4407 3.091 7.046 31.837 1 U 4.630e+02 0.00e+00 m 0 0 0 0 0 4409 0.737 2.749 12.100 1 U -1.871e+03 0.00e+00 m 0 525 1336 526 0 4410 1.342 2.841 27.893 1 U 7.020e+02 0.00e+00 m 0 522 1337 521 0 4411 1.143 2.832 27.893 1 U 8.990e+02 0.00e+00 m 0 523 1337 521 0 4412 0.737 2.837 12.100 1 U -2.526e+03 0.00e+00 m 0 525 1337 526 0 4413 2.836 1.344 43.809 1 U 3.830e+02 0.00e+00 m 0 1337 522 1335 0 4414 2.836 1.130 43.809 1 U 7.470e+02 0.00e+00 m 0 1337 523 1335 0 4415 2.836 0.737 43.809 1 U 7.570e+02 0.00e+00 m 0 1337 525 1335 0 4416 2.749 1.340 43.809 1 U 2.810e+02 0.00e+00 m 0 1336 522 1335 0 4417 2.749 1.130 43.809 1 U 4.140e+02 0.00e+00 m 0 1336 523 1335 0 4418 2.749 0.737 43.809 1 U 6.260e+02 0.00e+00 m 0 1336 525 1335 0 4419 3.156 8.525 32.480 1 U 2.700e+02 0.00e+00 m 0 1346 1385 1345 0 4420 2.974 8.525 32.480 1 U 3.060e+02 0.00e+00 m 0 1347 1385 1345 0 4421 1.819 1.703 31.858 1 U 2.732e+04 0.00e+00 m 0 1363 1364 1362 0 4422 1.819 1.821 31.858 1 U 1.920e+05 0.00e+00 m 0 1363 1363 1362 0 4424 4.662 4.676 53.839 1 U 3.195e+04 0.00e+00 m 0 1529 1529 1528 0 4425 4.662 2.722 53.839 1 U 1.009e+03 0.00e+00 m 0 1529 1533 1528 0 4426 4.295 4.284 56.552 1 U 6.239e+05 0.00e+00 m 0 14 14 13 0 4427 4.228 4.227 56.413 1 U 4.247e+05 0.00e+00 m 0 1478 1478 1477 0 4428 4.262 1.776 56.603 1 U 5.817e+03 0.00e+00 m 0 1224 1227 1223 0 4430 4.264 8.082 52.544 1 U 7.828e+03 0.00e+00 m 0 29 96 28 0 4431 2.836 3.606 42.226 1 U 1.905e+03 0.00e+00 m 0 161 902 160 0 4434 0.665 4.500 22.652 1 U 2.408e+03 0.00e+00 m 0 201 928 206 0 4435 1.636 1.879 27.901 1 U 7.362e+03 0.00e+00 m 0 807 804 806 0 4436 1.636 1.643 27.901 1 U 1.498e+05 0.00e+00 m 0 807 807 806 0 4437 2.956 2.961 42.407 1 U -2.917e+06 0.00e+00 m 0 1286 0 1283 0 4438 1.895 1.900 32.982 1 U 9.358e+04 0.00e+00 m 0 1318 1318 1317 0 4439 1.895 1.691 32.982 1 U 2.105e+04 0.00e+00 m 0 1318 1273 1317 0 4441 1.908 7.761 32.781 1 U 2.683e+03 0.00e+00 m 0 1272 1268 1271 0 4442 1.906 2.941 32.931 1 U 1.193e+03 0.00e+00 m 0 1226 1240 1225 0 4443 1.782 1.784 32.931 1 U 1.674e+05 0.00e+00 m 0 1227 1227 1225 0 4444 1.782 1.354 32.931 1 U 4.459e+03 0.00e+00 m 0 1227 1232 1225 0 4454 1.324 1.405 29.482 1 U -4.561e+03 0.00e+00 m 0 1424 1420 1421 0 4455 1.324 1.318 29.482 1 U -5.696e+03 0.00e+00 m 0 1424 1424 1421 0 4456 1.324 2.946 29.482 1 U -8.600e+01 0.00e+00 m 0 1424 1428 1421 0 4460 1.398 2.950 25.081 1 U 6.652e+03 0.00e+00 m 0 1395 1403 1392 0 4463 1.398 8.519 25.081 1 U 4.450e+02 0.00e+00 m 0 1395 1385 1392 0 4465 2.126 3.539 28.555 1 U 2.870e+02 0.00e+00 m 0 1062 1078 1059 0 4466 2.126 3.229 28.555 1 U 4.820e+02 0.00e+00 m 0 1062 1079 1059 0 4470 1.787 9.454 32.836 1 U 9.570e+02 0.00e+00 m 0 682 0 681 0 4471 0.791 2.086 20.822 1 U -3.245e+03 0.00e+00 m 0 684 0 689 0 4472 2.763 3.796 40.250 1 U 3.820e+02 0.00e+00 m 0 973 930 972 0 4473 2.668 3.796 40.250 1 U 4.770e+02 0.00e+00 m 0 974 930 972 0 4476 4.162 8.316 60.655 1 U 8.316e+03 0.00e+00 m 0 985 983 984 0 4479 4.569 4.569 56.130 1 U 4.052e+05 0.00e+00 m 0 1603 1603 1602 0 4481 1.398 2.958 25.081 1 U 6.652e+03 0.00e+00 m 0 1420 1428 1417 0 4482 1.398 4.251 25.081 1 U 4.522e+03 0.00e+00 m 0 1420 1412 1417 0 4483 1.398 1.679 25.081 1 U 6.717e+04 0.00e+00 m 0 1420 1416 1417 0 4484 1.398 1.388 25.081 1 U 5.657e+05 0.00e+00 m 0 1420 1420 1417 0 4485 1.398 1.330 25.081 1 U 3.394e+05 0.00e+00 m 0 1420 1424 1417 0 4486 4.251 8.524 56.457 1 U 1.263e+03 0.00e+00 m 0 1387 1385 1386 0 4487 4.251 1.679 56.457 1 U 1.025e+04 0.00e+00 m 0 1387 1390 1386 0 4488 4.251 1.417 56.457 1 U 2.434e+03 0.00e+00 m 0 1387 1395 1386 0 4489 1.398 1.795 25.081 1 U 9.850e+03 0.00e+00 m 0 1395 1389 1392 0 4490 1.398 1.693 25.081 1 U 2.986e+04 0.00e+00 m 0 1395 1390 1392 0 4491 1.398 1.388 25.081 1 U 5.657e+05 0.00e+00 m 0 1395 1395 1392 0 4492 1.398 4.280 25.081 1 U 4.522e+03 0.00e+00 m 0 1395 1387 1392 0 4493 1.683 4.280 33.505 1 U 7.339e+03 0.00e+00 m 0 1390 1387 1388 0 4494 3.156 4.583 32.480 1 U 1.763e+03 0.00e+00 m 0 1346 1344 1345 0 4495 2.974 4.583 32.480 1 U 1.435e+03 0.00e+00 m 0 1347 1344 1345 0 4497 4.583 4.583 56.198 1 U 4.324e+05 0.00e+00 m 0 1344 1344 1343 0 4501 3.933 7.596 63.779 1 U 1.180e+03 0.00e+00 m 0 427 399 426 0 4503 4.298 4.449 62.947 1 U 2.835e+03 0.00e+00 m 0 680 513 679 0 4504 4.603 4.444 51.053 1 U 1.005e+03 0.00e+00 m 0 660 552 659 0 4507 3.435 8.300 39.925 1 U 3.910e+02 0.00e+00 m 0 619 0 618 0 4508 1.605 1.605 26.977 1 U 2.095e+05 0.00e+00 m 0 558 558 557 0 4510 5.117 9.120 55.093 1 U 6.630e+02 0.00e+00 m 0 900 717 899 0 4511 4.542 9.470 61.335 1 U 8.150e+02 0.00e+00 m 0 698 908 697 0 4512 2.491 8.168 41.178 1 U 1.041e+03 0.00e+00 m 0 591 597 589 0 4513 2.928 8.170 41.178 1 U 1.319e+03 0.00e+00 m 0 590 597 589 0 4514 2.491 1.805 41.178 1 U 6.320e+02 0.00e+00 m 0 591 555 589 0 4515 2.491 1.651 41.178 1 U 7.760e+02 0.00e+00 m 0 591 0 589 0 4516 2.491 1.605 41.178 1 U 7.640e+02 0.00e+00 m 0 591 558 589 0 4517 2.928 1.801 41.178 1 U 6.680e+02 0.00e+00 m 0 590 555 589 0 4518 2.888 8.320 39.925 1 U 4.850e+02 0.00e+00 m 0 620 0 618 0 4519 1.005 7.596 22.806 1 U 4.465e+03 0.00e+00 m 0 431 0 436 0 4520 3.770 1.771 64.426 1 U -6.210e+02 0.00e+00 m 0 219 199 216 0 4527 4.322 0.665 59.765 1 U 5.246e+03 0.00e+00 m 0 197 201 196 0 4528 1.771 0.665 35.196 1 U 1.184e+04 0.00e+00 m 0 199 201 198 0 4529 0.657 0.665 19.410 1 U -2.287e+05 0.00e+00 m 0 200 201 202 0 4530 0.665 0.657 22.652 1 U 1.910e+05 0.00e+00 m 0 201 200 206 0 4535 3.770 3.770 64.426 1 U -8.034e+04 0.00e+00 m 0 219 219 216 0 4537 3.598 0.834 50.931 1 U 2.388e+03 0.00e+00 m 0 92 0 80 0 4538 3.859 0.813 50.931 1 U 1.731e+03 0.00e+00 m 0 0 0 0 0 4539 3.793 2.773 64.840 1 U -7.610e+02 0.00e+00 m 0 930 957 929 0 ; 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-aliphatic . . 16.662973 ppm . . . 4.78 . . 30445 1 2 . . H 1 H-aliphatic . . 11.902123 ppm . . . 7.78 . . 30445 1 3 . . C 13 C-aliphatic . aliased 41.415689 ppm . . . 43 . . 30445 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 30445 _Spectral_peak_list.ID 2 _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.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 # INAME 1 1H # INAME 2 1H # INAME 3 13C 2 7.314 7.314 114.705 1 U 1.604e+05 0.00e+00 m 0 1094 1094 1090 0 4 7.222 7.222 127.129 1 U 1.890e+05 0.00e+00 m 0 1087 1087 1082 0 6 6.849 6.849 124.282 1 U 1.041e+05 0.00e+00 m 0 1095 1095 1093 0 8 6.779 6.779 121.435 1 U 5.592e+04 0.00e+00 m 0 1092 1092 1089 0 9 7.548 7.548 120.400 1 U 5.717e+04 0.00e+00 m 0 1088 1088 1084 0 12 7.222 10.012 127.129 3 U 1.402e+04 0.00e+00 m 0 1087 1091 1082 0 13 7.548 6.779 120.400 3 U 7.260e+03 0.00e+00 m 0 1088 1092 1084 0 14 7.548 7.964 120.400 3 U 1.140e+03 0.00e+00 m 0 1088 1074 1084 0 15 7.548 8.884 120.400 3 U 2.462e+03 0.00e+00 m 0 1088 1098 1084 0 16 6.779 7.550 121.435 3 U 5.029e+03 0.00e+00 m 0 1092 1088 1089 0 17 6.779 7.320 121.435 3 U 1.556e+03 0.00e+00 m 0 1092 1094 1089 0 18 7.314 6.866 114.705 3 U 2.410e+04 0.00e+00 m 0 1094 1095 1090 0 19 6.849 7.320 124.282 3 U 1.795e+04 0.00e+00 m 0 1095 1094 1093 0 20 6.849 7.555 124.282 3 U 2.498e+03 0.00e+00 m 0 1095 1088 1093 0 21 6.849 6.779 124.282 3 U 3.168e+04 0.00e+00 m 0 1095 1092 1093 0 22 6.779 6.850 121.435 3 U 2.250e+04 0.00e+00 m 0 1092 1095 1089 0 23 7.314 10.012 114.705 3 U 6.194e+03 0.00e+00 m 0 1094 1091 1090 0 24 7.042 7.042 133.342 1 U 2.429e+06 0.00e+00 m 0 1720 1720 1724 0 26 6.531 6.531 122.729 1 U 1.151e+05 0.00e+00 m 0 752 752 748 0 30 7.075 7.075 120.141 1 U 5.272e+05 0.00e+00 m 0 1355 1355 1351 0 31 6.935 6.935 119.100 1 U 4.365e+05 0.00e+00 m 0 965 965 961 0 32 7.043 7.043 119.105 1 U 5.905e+05 0.00e+00 m 0 1448 1448 1444 0 33 7.117 7.117 119.364 1 U 6.705e+05 0.00e+00 m 0 996 996 992 0 35 7.544 7.544 138.001 1 U 5.192e+05 0.00e+00 m 0 753 753 750 0 36 7.544 6.536 138.001 3 U 1.642e+03 0.00e+00 m 0 753 752 750 0 37 7.075 8.048 120.141 3 U 2.377e+03 0.00e+00 m 0 1355 1342 1351 0 38 7.755 7.760 138.260 4 U 5.919e+05 0.00e+00 m 0 0 0 0 0 46 7.042 3.007 133.342 3 U 1.052e+04 0.00e+00 m 0 1720 1717 1724 0 47 7.042 2.872 133.342 3 U 1.033e+04 0.00e+00 m 0 1720 1718 1724 0 53 7.044 2.884 133.342 3 U 1.033e+04 0.00e+00 m 0 1720 1718 1724 0 54 7.042 3.403 133.342 3 U 3.124e+03 0.00e+00 m 0 1821 1810 1825 0 58 7.007 7.007 119.882 1 U 1.917e+06 0.00e+00 m 0 253 253 249 0 59 6.976 6.976 120.658 1 U 7.723e+05 0.00e+00 m 0 1465 1465 1461 0 63 7.007 7.893 119.882 3 U 1.826e+03 0.00e+00 m 0 253 240 249 0 71 6.531 5.748 122.729 3 U 1.546e+03 0.00e+00 m 0 752 477 748 0 72 6.531 5.256 122.729 3 U 1.522e+03 0.00e+00 m 0 752 741 748 0 73 6.531 4.902 122.729 3 U 6.600e+02 0.00e+00 m 0 752 719 748 0 79 6.531 7.543 122.729 3 U 6.090e+02 0.00e+00 m 0 752 753 748 0 80 6.531 8.552 122.729 3 U 1.775e+03 0.00e+00 m 0 752 739 748 0 81 6.531 9.211 122.729 3 U 4.410e+02 0.00e+00 m 0 752 877 748 0 98 7.043 8.385 119.105 3 U 6.700e+02 0.00e+00 m 0 1448 1435 1444 0 100 6.935 7.548 119.100 3 U 3.386e+03 0.00e+00 m 0 965 952 961 0 105 7.117 7.714 119.364 3 U 1.121e+03 0.00e+00 m 0 996 1000 992 0 112 6.935 4.527 119.100 3 U 1.925e+03 0.00e+00 m 0 965 954 961 0 115 7.117 4.164 119.364 3 U 2.175e+03 0.00e+00 m 0 996 985 992 0 123 7.043 3.102 119.105 3 U 5.696e+03 0.00e+00 m 0 1448 1439 1444 0 124 7.043 2.815 119.105 3 U 1.101e+04 0.00e+00 m 0 1448 1440 1444 0 125 6.935 3.659 119.100 3 U 4.328e+03 0.00e+00 m 0 965 949 961 0 127 6.935 2.779 119.100 3 U 1.210e+04 0.00e+00 m 0 965 957 961 0 128 7.117 3.893 119.364 3 U 2.022e+03 0.00e+00 m 0 996 1002 992 0 129 7.117 3.204 119.364 3 U 7.248e+03 0.00e+00 m 0 996 988 992 0 132 6.531 2.358 122.729 4 U 1.317e+03 0.00e+00 m 0 752 467 748 0 133 6.531 2.086 122.729 3 U 7.850e+02 0.00e+00 m 0 752 461 748 0 134 6.531 1.819 122.729 3 U 1.795e+03 0.00e+00 m 0 752 700 748 0 135 6.531 1.472 122.729 3 U 1.323e+03 0.00e+00 m 0 752 857 748 0 136 6.531 1.033 122.729 3 U 9.500e+02 0.00e+00 m 0 752 860 748 0 137 6.531 0.670 122.729 3 U 4.107e+03 0.00e+00 m 0 752 701 748 0 139 7.544 2.364 138.001 4 U 1.202e+03 0.00e+00 m 0 753 467 750 0 140 7.544 2.086 138.001 3 U 7.040e+02 0.00e+00 m 0 753 461 750 0 144 7.544 1.146 138.001 3 U 3.544e+03 0.00e+00 m 0 753 859 750 0 149 6.531 1.146 122.729 3 U 9.850e+02 0.00e+00 m 0 752 859 748 0 150 7.043 0.654 119.105 4 U 3.317e+03 0.00e+00 m 0 0 0 0 0 151 6.935 1.990 119.100 3 U 8.500e+02 0.00e+00 m 0 965 940 961 0 152 6.935 1.610 119.100 3 U 1.307e+03 0.00e+00 m 0 965 944 961 0 153 6.935 1.375 119.100 3 U 4.419e+03 0.00e+00 m 0 965 945 961 0 155 7.117 2.353 119.364 4 U 1.166e+03 0.00e+00 m 0 996 1064 992 0 156 7.117 2.139 119.364 3 U 1.188e+03 0.00e+00 m 0 996 1062 992 0 159 7.117 1.103 119.364 3 U 1.021e+03 0.00e+00 m 0 996 1005 992 0 167 7.222 6.225 127.129 3 U 1.945e+03 0.00e+00 m 0 1087 1173 1082 0 172 6.849 10.024 124.282 3 U 4.320e+02 0.00e+00 m 0 1095 1091 1093 0 174 7.075 8.304 120.141 3 U 8.960e+02 0.00e+00 m 0 1355 1031 1351 0 175 7.075 9.014 120.141 4 U 9.430e+02 0.00e+00 m 0 0 0 0 0 176 7.222 4.262 127.129 3 U 6.797e+03 0.00e+00 m 0 1087 1076 1082 0 177 7.222 3.778 127.129 3 U 1.217e+03 0.00e+00 m 0 1087 290 1082 0 178 7.222 3.522 127.129 3 U 3.828e+03 0.00e+00 m 0 1087 1078 1082 0 179 7.222 3.237 127.129 3 U 8.044e+03 0.00e+00 m 0 1087 1079 1082 0 180 7.548 4.268 120.400 3 U 7.540e+02 0.00e+00 m 0 1088 1076 1084 0 181 7.548 3.772 120.400 3 U 2.462e+03 0.00e+00 m 0 1088 1015 1084 0 182 7.548 3.522 120.400 3 U 6.074e+03 0.00e+00 m 0 1088 1078 1084 0 184 7.548 3.101 120.400 3 U 6.684e+03 0.00e+00 m 0 1088 1106 1084 0 185 6.779 3.192 121.435 3 U 1.187e+03 0.00e+00 m 0 1092 480 1089 0 186 6.779 3.095 121.435 3 U 1.293e+03 0.00e+00 m 0 1092 1106 1089 0 188 7.314 6.204 114.705 3 U 5.860e+02 0.00e+00 m 0 1094 1173 1090 0 189 7.314 3.926 114.705 3 U 9.080e+02 0.00e+00 m 0 1094 427 1090 0 190 7.314 3.425 114.705 3 U 1.161e+03 0.00e+00 m 0 1094 364 1090 0 191 7.314 3.220 114.705 3 U 9.840e+02 0.00e+00 m 0 1094 480 1090 0 192 7.314 2.662 114.705 3 U 1.229e+03 0.00e+00 m 0 1094 1304 1090 0 194 6.849 3.220 124.282 3 U 4.090e+03 0.00e+00 m 0 1095 480 1093 0 195 6.849 2.668 124.282 3 U 8.760e+02 0.00e+00 m 0 1095 1304 1093 0 196 7.075 4.826 120.141 4 U 9.520e+02 0.00e+00 m 0 0 0 0 0 199 7.075 3.157 120.141 3 U 5.559e+03 0.00e+00 m 0 1355 1346 1351 0 200 7.075 2.970 120.141 3 U 7.362e+03 0.00e+00 m 0 1355 1347 1351 0 201 7.222 2.369 127.129 3 U 7.290e+02 0.00e+00 m 0 1087 393 1082 0 202 7.222 2.118 127.129 4 U 1.703e+03 0.00e+00 m 0 1087 388 1082 0 203 7.222 1.099 127.129 3 U 1.994e+03 0.00e+00 m 0 1087 1168 1082 0 207 7.222 1.651 127.129 3 U 1.717e+03 0.00e+00 m 0 1087 298 1082 0 208 7.548 2.460 120.400 3 U 3.213e+03 0.00e+00 m 0 1088 1107 1084 0 209 7.548 2.186 120.400 3 U 1.287e+03 0.00e+00 m 0 1088 1102 1084 0 210 7.548 2.033 120.400 4 U 1.504e+03 0.00e+00 m 0 0 0 0 0 211 7.548 1.429 120.400 3 U 5.240e+02 0.00e+00 m 0 1088 1164 1084 0 212 7.548 1.048 120.400 3 U 4.175e+03 0.00e+00 m 0 1088 1018 1084 0 213 7.548 0.882 120.400 3 U 2.403e+03 0.00e+00 m 0 1088 1019 1084 0 215 7.548 0.239 120.400 3 U 1.371e+03 0.00e+00 m 0 1088 371 1084 0 216 7.548 -0.273 120.400 3 U 1.116e+03 0.00e+00 m 0 1088 372 1084 0 217 6.779 2.460 121.435 3 U 1.536e+03 0.00e+00 m 0 1092 1107 1089 0 218 6.779 2.038 121.435 4 U 1.271e+03 0.00e+00 m 0 0 0 0 0 220 6.779 1.048 121.435 3 U 2.590e+03 0.00e+00 m 0 1092 1018 1089 0 221 6.779 0.882 121.435 3 U 3.169e+03 0.00e+00 m 0 1092 1019 1089 0 222 6.779 0.649 121.435 3 U 4.255e+03 0.00e+00 m 0 1092 726 1089 0 223 6.779 0.387 121.435 3 U 4.630e+02 0.00e+00 m 0 1092 727 1089 0 224 6.779 -0.279 121.435 3 U 8.420e+02 0.00e+00 m 0 1092 372 1089 0 225 7.314 2.539 114.705 3 U 1.357e+03 0.00e+00 m 0 1094 1305 1090 0 226 7.314 2.141 114.705 3 U 7.408e+03 0.00e+00 m 0 1094 429 1090 0 227 7.314 1.657 114.705 3 U 8.140e+02 0.00e+00 m 0 1094 1163 1090 0 228 7.314 1.446 114.705 3 U 1.293e+03 0.00e+00 m 0 1094 1167 1090 0 229 7.314 1.002 114.705 3 U 7.885e+03 0.00e+00 m 0 1094 431 1090 0 230 7.314 0.774 114.705 3 U 5.953e+03 0.00e+00 m 0 1094 430 1090 0 231 7.314 0.643 114.705 3 U 2.067e+03 0.00e+00 m 0 1094 726 1090 0 232 7.314 0.199 114.705 3 U 7.060e+02 0.00e+00 m 0 1094 367 1090 0 233 7.314 -0.279 114.705 3 U 1.227e+03 0.00e+00 m 0 1094 372 1090 0 234 6.849 2.505 124.282 3 U 8.960e+02 0.00e+00 m 0 1095 1305 1093 0 235 6.849 2.141 124.282 3 U 1.852e+03 0.00e+00 m 0 1095 429 1093 0 236 6.849 1.013 124.282 3 U 8.782e+03 0.00e+00 m 0 1095 431 1093 0 238 6.849 0.638 124.282 3 U 6.194e+03 0.00e+00 m 0 1095 726 1093 0 239 6.849 0.416 124.282 3 U 9.080e+02 0.00e+00 m 0 1095 727 1093 0 240 6.849 -0.279 124.282 3 U 9.840e+02 0.00e+00 m 0 1095 372 1093 0 242 7.075 2.357 120.141 4 U 2.104e+03 0.00e+00 m 0 0 0 0 0 244 7.075 1.799 120.141 3 U 1.413e+03 0.00e+00 m 0 1355 1037 1351 0 245 7.075 1.685 120.141 3 U 1.622e+03 0.00e+00 m 0 1355 1041 1351 0 246 7.075 0.734 120.141 4 U 2.056e+03 0.00e+00 m 0 1355 525 1351 0 247 6.934 6.988 120.141 4 U 1.046e+04 0.00e+00 m 0 0 0 0 0 251 6.976 7.847 120.658 4 U 8.660e+02 0.00e+00 m 0 0 0 0 0 252 6.976 6.811 120.658 4 U 2.845e+04 0.00e+00 m 0 0 0 0 0 253 6.976 4.586 120.658 3 U 1.598e+03 0.00e+00 m 0 1465 1454 1461 0 258 6.976 2.977 120.658 3 U 5.736e+03 0.00e+00 m 0 1465 1458 1461 0 259 6.976 1.656 120.658 4 U 1.395e+03 0.00e+00 m 0 0 0 0 0 263 7.044 7.050 133.342 1 U 2.429e+06 0.00e+00 m 0 1720 1720 1724 0 264 7.044 3.404 133.342 3 U 3.124e+03 0.00e+00 m 0 1821 1810 1825 0 265 7.044 3.019 133.342 3 U 1.052e+04 0.00e+00 m 0 1720 1717 1724 0 268 7.044 6.748 133.342 3 U 1.425e+05 0.00e+00 m 0 1720 1721 1724 0 270 6.763 6.762 118.329 1 U 2.094e+06 0.00e+00 m 0 1721 1721 1726 0 271 6.763 4.539 118.329 4 U 9.180e+02 0.00e+00 m 0 0 0 0 0 272 7.044 4.532 133.342 3 U 3.353e+03 0.00e+00 m 0 1720 1715 1724 0 273 6.763 3.397 118.329 3 U 5.320e+02 0.00e+00 m 0 1822 1810 1827 0 274 6.763 2.853 118.329 4 U 4.328e+03 0.00e+00 m 0 0 0 0 0 275 6.763 3.129 118.329 4 U 2.431e+03 0.00e+00 m 0 0 0 0 0 276 6.763 7.051 118.329 3 U 1.787e+05 0.00e+00 m 0 1721 1720 1726 0 277 7.042 6.755 133.342 3 U 1.694e+05 0.00e+00 m 0 1720 1721 1724 0 278 7.042 4.319 133.342 3 U 1.608e+03 0.00e+00 m 0 1821 1816 1825 0 279 7.042 4.223 133.342 3 U 7.270e+02 0.00e+00 m 0 1720 1702 1724 0 281 6.755 6.755 118.329 1 U 1.830e+06 0.00e+00 m 0 1721 1721 1726 0 282 6.755 7.044 118.329 3 U 1.728e+05 0.00e+00 m 0 1721 1720 1726 0 283 6.755 4.319 118.329 3 U 3.880e+02 0.00e+00 m 0 1822 1816 1827 0 285 6.755 4.216 118.329 3 U 5.090e+02 0.00e+00 m 0 1721 1702 1726 0 286 6.755 3.397 118.329 3 U 3.290e+02 0.00e+00 m 0 1822 1810 1827 0 287 6.755 3.012 118.329 3 U 1.383e+03 0.00e+00 m 0 1721 1717 1726 0 292 7.042 1.805 133.342 3 U 1.323e+03 0.00e+00 m 0 1821 1807 1825 0 293 7.007 4.766 119.882 1 U 8.570e+02 0.00e+00 m 0 253 242 249 0 298 6.531 3.058 122.729 1 U 2.711e+03 0.00e+00 m 0 752 745 748 0 299 7.544 2.962 138.001 1 U 6.797e+03 0.00e+00 m 0 753 863 750 0 300 6.849 5.749 124.282 1 U 5.130e+02 0.00e+00 m 0 1095 477 1093 0 305 7.222 7.555 127.129 1 U 1.277e+03 0.00e+00 m 0 1087 1088 1082 0 307 7.222 0.252 127.129 1 U 4.981e+03 0.00e+00 m 0 1087 371 1082 0 319 7.544 0.663 138.001 1 U 4.868e+03 0.00e+00 m 0 753 701 750 0 328 5.748 5.754 120.917 1 U 4.141e+03 0.00e+00 m 0 0 0 0 0 329 5.748 3.206 120.917 1 U 7.500e+02 0.00e+00 m 0 0 0 0 0 330 5.748 9.419 120.917 1 U 7.400e+02 0.00e+00 m 0 0 0 0 0 334 6.935 3.238 119.100 1 U 5.768e+03 0.00e+00 m 0 965 0 961 0 ; 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-aromatic . . 8.331487 ppm . . . 4.78 . . 30445 2 2 . . H 1 H-aliphatic . . 11.902123 ppm . . . 7.78 . . 30445 2 3 . . C 13 C-aromatic . . 33.131673 ppm . . . 127 . . 30445 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 30445 _Spectral_peak_list.ID 3 _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.Experiment_ID 1 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 # INAME 1 1H # INAME 2 1H # INAME 3 15N 2 10.007 10.007 130.898 1 U 1.938e+05 0.00e+00 m 0 1091 1091 1086 0 3 9.153 9.153 130.621 1 U 1.045e+05 0.00e+00 m 0 532 532 531 0 4 8.274 8.274 128.377 1 U 6.152e+05 0.00e+00 m 0 58 58 57 0 6 9.386 9.386 127.797 1 U 1.021e+05 0.00e+00 m 0 696 696 695 0 7 8.323 8.323 127.259 1 U 1.374e+05 0.00e+00 m 0 117 117 116 0 8 8.680 8.680 126.813 1 U 1.766e+05 0.00e+00 m 0 550 550 549 0 9 9.218 9.218 126.673 1 U 1.039e+05 0.00e+00 m 0 877 877 876 0 10 9.129 9.129 126.602 1 U 9.384e+04 0.00e+00 m 0 717 717 716 0 11 8.355 8.355 126.611 1 U 2.491e+05 0.00e+00 m 0 658 658 657 0 12 8.821 8.821 126.050 1 U 1.908e+05 0.00e+00 m 0 898 898 897 0 14 8.369 8.369 125.971 1 U 3.918e+05 0.00e+00 m 0 27 27 26 0 16 9.155 9.155 125.472 1 U 1.818e+05 0.00e+00 m 0 774 774 773 0 17 8.516 8.516 125.283 1 U 6.250e+03 0.00e+00 m 0 1410 1410 1409 0 18 8.939 8.939 124.751 1 U 1.990e+02 0.00e+00 m 0 288 288 287 0 20 8.204 8.204 124.533 1 U 1.180e+05 0.00e+00 m 0 1591 1591 1590 0 21 8.528 8.528 124.179 1 U 3.985e+04 0.00e+00 m 0 1385 1385 1384 0 22 8.437 8.437 124.022 1 U 2.865e+05 0.00e+00 m 0 851 851 850 0 23 7.353 7.353 124.019 1 U 5.694e+05 0.00e+00 m 0 1814 1814 1813 0 24 9.044 9.044 123.647 1 U 9.615e+04 0.00e+00 m 0 443 443 442 0 25 8.420 8.420 123.524 1 U 1.723e+05 0.00e+00 m 0 756 756 755 0 26 8.515 8.515 123.241 1 U 1.635e+05 0.00e+00 m 0 1013 1013 1012 0 27 10.180 10.180 123.195 1 U 7.381e+04 0.00e+00 m 0 157 157 156 0 28 8.356 8.356 123.200 1 U 2.160e+05 0.00e+00 m 0 576 576 575 0 29 8.153 8.153 123.074 1 U 1.052e+05 0.00e+00 m 0 1222 1222 1221 0 30 8.291 8.291 122.913 1 U 2.064e+05 0.00e+00 m 0 586 586 585 0 31 8.442 8.442 122.836 1 U 4.788e+04 0.00e+00 m 0 1501 1501 1500 0 32 9.010 9.014 122.725 1 U 4.917e+04 0.00e+00 m 0 475 475 474 0 33 8.364 8.364 122.651 1 U 5.058e+04 0.00e+00 m 0 1760 1760 1759 0 34 8.617 8.617 122.589 1 U 7.610e+02 0.00e+00 m 0 1359 1359 1358 0 35 8.195 8.195 122.527 1 U 1.753e+05 0.00e+00 m 0 1713 1713 1712 0 36 9.484 9.484 122.385 1 U 1.271e+05 0.00e+00 m 0 908 908 907 0 38 8.453 8.453 122.264 1 U 9.474e+04 0.00e+00 m 0 604 604 603 0 39 9.038 9.038 122.155 1 U 1.712e+05 0.00e+00 m 0 678 678 677 0 40 8.047 8.047 121.936 1 U 6.826e+04 0.00e+00 m 0 1342 1342 1341 0 41 7.969 7.969 121.887 1 U 2.005e+05 0.00e+00 m 0 1074 1074 1073 0 42 8.492 8.492 121.612 1 U 1.354e+05 0.00e+00 m 0 511 511 510 0 43 7.607 7.607 121.584 1 U 2.472e+05 0.00e+00 m 0 180 180 179 0 44 8.209 8.209 121.537 1 U 3.654e+04 0.00e+00 m 0 1565 1565 1564 0 45 8.552 8.552 121.357 1 U 1.562e+05 0.00e+00 m 0 739 739 738 0 46 8.314 8.314 121.354 1 U 2.825e+05 0.00e+00 m 0 1031 1031 1030 0 47 8.161 8.161 121.000 1 U 3.224e+05 0.00e+00 m 0 37 37 36 0 48 8.368 8.368 121.006 1 U 3.849e+04 0.00e+00 m 0 1551 1551 1550 0 49 8.077 8.077 121.013 1 U 1.312e+06 0.00e+00 m 0 96 96 95 0 50 8.204 8.204 120.902 1 U 1.622e+04 0.00e+00 m 0 1643 1643 1642 0 51 7.123 7.123 120.886 1 U 1.451e+05 0.00e+00 m 0 425 425 424 0 52 8.258 8.258 120.413 1 U 1.008e+05 0.00e+00 m 0 1332 1332 1331 0 53 8.533 8.533 120.701 1 U 4.595e+03 0.00e+00 m 0 1527 1527 1526 0 54 7.811 7.811 120.679 1 U 1.327e+05 0.00e+00 m 0 1141 1141 1140 0 55 8.402 8.402 120.570 1 U 9.078e+03 0.00e+00 m 0 1435 1435 1434 0 56 7.934 7.934 120.550 1 U 1.569e+05 0.00e+00 m 0 257 257 256 0 57 7.314 7.314 120.376 1 U 1.462e+05 0.00e+00 m 0 969 969 968 0 58 8.811 8.811 120.342 1 U 1.536e+05 0.00e+00 m 0 668 668 667 0 59 7.767 7.767 120.156 1 U 7.517e+04 0.00e+00 m 0 12 12 11 0 60 7.882 7.882 120.201 1 U 5.936e+04 0.00e+00 m 0 1314 1314 1313 0 62 8.249 8.249 119.837 1 U 4.833e+04 0.00e+00 m 0 1476 1476 1475 0 63 7.216 7.216 119.831 1 U 2.592e+05 0.00e+00 m 0 340 340 339 0 64 7.701 7.701 119.775 1 U 1.764e+05 0.00e+00 m 0 1177 1177 1176 0 65 7.545 7.545 119.759 1 U 1.565e+05 0.00e+00 m 0 1116 1116 1115 0 66 8.352 8.352 119.667 1 U 3.077e+04 0.00e+00 m 0 147 147 146 0 68 7.722 7.722 119.267 1 U 1.995e+05 0.00e+00 m 0 278 278 277 0 69 7.769 7.769 119.128 1 U 5.457e+04 0.00e+00 m 0 1268 1268 1267 0 70 8.045 8.045 118.813 1 U 2.600e+05 0.00e+00 m 0 1056 1056 1055 0 71 7.232 7.232 118.697 1 U 1.836e+05 0.00e+00 m 0 1187 1187 1186 0 72 7.377 7.377 118.659 1 U 2.574e+05 0.00e+00 m 0 636 636 635 0 74 7.889 7.889 118.529 1 U 1.441e+04 0.00e+00 m 0 240 240 239 0 75 8.223 8.223 118.401 1 U 3.118e+04 0.00e+00 m 0 1601 1601 1600 0 76 8.875 8.875 118.164 1 U 1.565e+05 0.00e+00 m 0 1098 1098 1097 0 77 8.088 8.088 118.101 1 U 1.291e+05 0.00e+00 m 0 1159 1159 1158 0 78 7.591 7.591 117.862 1 U 9.847e+04 0.00e+00 m 0 457 457 456 0 79 8.612 8.612 117.819 1 U 1.133e+05 0.00e+00 m 0 213 213 212 0 80 7.740 7.740 117.762 1 U 2.407e+05 0.00e+00 m 0 1000 1000 999 0 83 8.019 8.027 117.146 1 U 7.326e+04 0.00e+00 m 0 314 314 313 0 84 8.378 8.378 116.989 1 U 1.334e+04 0.00e+00 m 0 1247 1247 1246 0 85 8.302 8.302 116.662 1 U 1.894e+03 0.00e+00 m 0 1541 1541 1540 0 86 9.080 9.080 116.471 1 U 3.090e+02 0.00e+00 m 0 167 167 166 0 87 7.061 7.061 116.339 1 U 1.751e+05 0.00e+00 m 0 362 362 361 0 88 7.598 7.598 116.260 1 U 2.694e+05 0.00e+00 m 0 399 399 398 0 89 7.986 7.986 116.122 1 U 1.923e+05 0.00e+00 m 0 615 615 614 0 90 7.395 7.395 115.368 1 U 2.052e+05 0.00e+00 m 0 384 384 383 0 91 7.948 7.948 115.251 4 U 1.356e+05 0.00e+00 m 0 0 0 0 0 92 8.157 8.157 115.153 1 U 1.035e+05 0.00e+00 m 0 1700 1700 1699 0 94 8.202 8.202 114.681 1 U 9.011e+04 0.00e+00 m 0 127 127 126 0 95 8.260 8.260 114.642 1 U 2.301e+05 0.00e+00 m 0 195 195 194 0 96 8.687 8.687 114.263 1 U 4.493e+04 0.00e+00 m 0 545 545 544 0 97 7.234 7.234 114.260 1 U 4.242e+04 0.00e+00 m 0 546 546 544 0 98 6.865 6.865 113.745 1 U 6.526e+04 0.00e+00 m 0 1172 1172 1171 0 99 6.202 6.202 113.742 1 U 5.302e+04 0.00e+00 m 0 1173 1173 1171 0 100 7.537 7.537 113.490 1 U 1.635e+05 0.00e+00 m 0 952 952 951 0 107 7.551 7.551 112.779 1 U 4.170e+05 0.00e+00 m 0 1256 1256 1255 0 114 7.687 7.687 112.223 1 U 1.900e+05 0.00e+00 m 0 452 452 451 0 115 6.966 6.966 112.223 1 U 2.600e+05 0.00e+00 m 0 453 453 451 0 118 7.253 7.253 111.858 1 U 2.880e+05 0.00e+00 m 0 1069 1069 1068 0 119 6.880 6.880 111.860 1 U 4.538e+05 0.00e+00 m 0 1070 1070 1068 0 121 7.437 7.437 111.697 1 U 2.026e+05 0.00e+00 m 0 1309 1309 1308 0 122 6.596 6.596 111.696 1 U 1.525e+05 0.00e+00 m 0 1310 1310 1308 0 125 8.339 8.339 110.516 1 U 1.174e+03 0.00e+00 m 0 1469 1469 1468 0 126 8.245 8.245 110.491 1 U 4.621e+04 0.00e+00 m 0 1736 1736 1735 0 127 8.435 8.435 110.344 1 U 4.338e+04 0.00e+00 m 0 1636 1636 1635 0 129 8.317 8.317 108.797 1 U 4.326e+04 0.00e+00 m 0 1293 1293 1292 0 130 8.160 8.160 108.273 1 U 9.538e+04 0.00e+00 m 0 597 597 596 0 131 8.275 8.275 107.247 1 U 2.735e+04 0.00e+00 m 0 1261 1261 1260 0 132 8.144 8.144 120.670 1 U 3.214e+05 0.00e+00 m 0 825 825 824 0 133 8.203 8.203 121.698 1 U 3.763e+04 0.00e+00 m 0 1565 1565 1564 0 135 8.108 8.108 119.004 1 U 9.140e+04 0.00e+00 m 0 625 625 624 0 136 6.873 6.873 112.779 1 U 9.439e+05 0.00e+00 m 0 1257 1257 1255 0 138 8.183 8.183 117.843 1 U 5.969e+03 0.00e+00 m 0 137 137 136 0 142 7.248 7.248 118.697 1 U 2.320e+05 0.00e+00 m 0 1187 1187 1186 0 143 8.094 8.094 118.804 1 U 1.602e+05 0.00e+00 m 0 625 625 624 0 144 7.598 3.922 116.260 3 U 7.669e+03 0.00e+00 m 0 399 342 398 0 145 7.598 4.154 116.260 3 U 7.476e+03 0.00e+00 m 0 399 386 398 0 146 7.598 4.487 116.260 3 U 1.163e+04 0.00e+00 m 0 399 401 398 0 147 7.598 7.138 116.260 3 U 3.345e+04 0.00e+00 m 0 399 425 398 0 148 7.598 7.405 116.260 3 U 2.086e+04 0.00e+00 m 0 399 384 398 0 149 7.123 7.600 120.886 3 U 2.959e+04 0.00e+00 m 0 425 399 424 0 150 7.123 9.048 120.886 3 U 2.562e+03 0.00e+00 m 0 425 443 424 0 151 7.123 4.465 120.886 3 U 7.203e+03 0.00e+00 m 0 425 401 424 0 152 7.123 4.154 120.886 3 U 2.896e+03 0.00e+00 m 0 425 386 424 0 154 9.155 4.289 125.472 3 U 2.680e+04 0.00e+00 m 0 774 758 773 0 155 9.155 3.757 125.472 3 U 4.403e+04 0.00e+00 m 0 774 776 773 0 156 8.821 4.241 126.050 3 U 4.338e+04 0.00e+00 m 0 898 879 897 0 157 8.821 3.598 126.050 3 U 1.775e+04 0.00e+00 m 0 898 902 897 0 158 8.821 2.777 126.050 3 U 1.028e+04 0.00e+00 m 0 898 903 897 0 159 8.821 5.106 126.050 3 U 8.316e+03 0.00e+00 m 0 898 900 897 0 164 8.369 4.308 125.971 3 U 3.172e+04 0.00e+00 m 0 27 14 26 0 165 8.355 4.530 126.611 3 U 4.634e+04 0.00e+00 m 0 658 638 657 0 166 8.355 7.391 126.611 3 U 3.000e+03 0.00e+00 m 0 658 636 657 0 175 8.274 3.857 128.377 3 U 2.022e+03 0.00e+00 m 0 58 91 57 0 183 8.077 4.034 121.013 3 U 1.366e+04 0.00e+00 m 0 96 98 95 0 184 8.323 4.293 127.259 3 U 6.813e+03 0.00e+00 m 0 117 119 116 0 185 8.157 4.728 115.153 4 U 4.957e+03 0.00e+00 m 0 0 0 0 0 186 8.260 4.467 114.642 3 U 4.152e+04 0.00e+00 m 0 195 182 194 0 188 8.323 4.031 127.259 3 U 2.118e+04 0.00e+00 m 0 117 98 116 0 191 8.183 4.452 117.843 3 U 2.357e+03 0.00e+00 m 0 137 139 136 0 194 8.352 4.467 119.667 3 U 1.036e+04 0.00e+00 m 0 147 139 146 0 196 7.811 7.562 120.679 3 U 1.559e+04 0.00e+00 m 0 1141 1116 1140 0 199 7.767 4.285 120.156 3 U 1.903e+03 0.00e+00 m 0 12 14 11 0 201 7.767 1.899 120.156 3 U 6.941e+03 0.00e+00 m 0 12 17 11 0 204 8.369 2.008 125.971 3 U 2.263e+03 0.00e+00 m 0 27 16 26 0 205 8.369 1.300 125.971 3 U 1.688e+04 0.00e+00 m 0 27 30 26 0 206 8.369 2.232 125.971 3 U 1.502e+03 0.00e+00 m 0 27 22 26 0 213 8.274 1.778 128.377 3 U 6.259e+03 0.00e+00 m 0 58 41 57 0 215 8.274 0.811 128.377 3 U 1.289e+04 0.00e+00 m 0 58 42 57 0 219 8.077 1.433 121.013 3 U 1.836e+04 0.00e+00 m 0 96 107 95 0 221 8.077 1.116 121.013 3 U 2.008e+04 0.00e+00 m 0 96 108 95 0 223 8.323 1.778 127.259 3 U 3.486e+03 0.00e+00 m 0 117 100 116 0 224 8.323 1.358 127.259 3 U 1.354e+04 0.00e+00 m 0 117 120 116 0 225 8.323 0.846 127.259 3 U 3.976e+03 0.00e+00 m 0 117 101 116 0 229 8.352 2.911 119.667 4 U 3.277e+03 0.00e+00 m 0 147 151 146 0 230 8.352 2.658 119.667 3 U 5.784e+03 0.00e+00 m 0 147 152 146 0 231 8.021 8.037 125.808 4 U 1.959e+05 0.00e+00 m 0 0 0 0 0 232 8.021 4.485 125.808 4 U 4.499e+03 0.00e+00 m 0 0 0 0 0 233 8.021 4.338 125.808 4 U 1.834e+04 0.00e+00 m 0 0 0 0 0 234 8.021 2.786 125.808 4 U 3.277e+03 0.00e+00 m 0 0 0 0 0 235 8.021 2.646 125.808 4 U 5.913e+03 0.00e+00 m 0 0 0 0 0 236 8.021 1.837 125.808 4 U 2.928e+03 0.00e+00 m 0 0 0 0 0 238 8.021 1.417 125.808 4 U 1.554e+03 0.00e+00 m 0 0 0 0 0 239 8.021 1.706 125.808 4 U 3.044e+03 0.00e+00 m 0 0 0 0 0 240 10.180 8.688 123.195 3 U 3.686e+03 0.00e+00 m 0 157 545 156 0 241 10.180 8.347 123.195 3 U 2.002e+03 0.00e+00 m 0 157 147 156 0 242 10.180 7.245 123.195 3 U 7.817e+03 0.00e+00 m 0 157 546 156 0 243 10.180 4.498 123.195 3 U 2.111e+04 0.00e+00 m 0 157 149 156 0 244 9.080 4.647 116.471 3 U 9.610e+02 0.00e+00 m 0 167 159 166 0 245 9.080 7.612 116.471 3 U 1.363e+03 0.00e+00 m 0 167 180 166 0 246 7.607 8.277 121.584 3 U 3.233e+03 0.00e+00 m 0 180 195 179 0 247 7.607 9.073 121.584 3 U 6.170e+03 0.00e+00 m 0 180 167 179 0 248 7.607 4.638 121.584 3 U 4.226e+03 0.00e+00 m 0 180 159 179 0 249 7.607 4.463 121.584 3 U 1.314e+04 0.00e+00 m 0 180 182 179 0 250 7.607 4.253 121.584 3 U 7.964e+03 0.00e+00 m 0 180 169 179 0 251 8.260 7.612 114.642 3 U 2.317e+03 0.00e+00 m 0 195 180 194 0 252 8.260 8.610 114.642 3 U 3.096e+03 0.00e+00 m 0 195 213 194 0 253 8.612 8.277 117.819 3 U 3.446e+03 0.00e+00 m 0 213 195 212 0 254 8.612 4.743 117.819 3 U 7.339e+03 0.00e+00 m 0 213 910 212 0 255 8.612 4.586 117.819 3 U 8.407e+03 0.00e+00 m 0 213 215 212 0 256 8.612 4.323 117.819 3 U 3.940e+04 0.00e+00 m 0 213 197 212 0 257 8.612 3.790 117.819 3 U 1.895e+04 0.00e+00 m 0 213 219 212 0 259 7.889 4.749 118.529 3 U 2.659e+03 0.00e+00 m 0 240 242 239 0 260 7.889 3.817 118.529 4 U 1.691e+03 0.00e+00 m 0 240 930 239 0 266 7.934 4.793 120.550 3 U 1.820e+04 0.00e+00 m 0 257 242 256 0 267 7.934 4.309 120.550 3 U 9.805e+03 0.00e+00 m 0 257 259 256 0 268 7.934 2.946 120.550 3 U 6.226e+03 0.00e+00 m 0 257 245 256 0 271 7.722 4.573 119.267 3 U 8.396e+03 0.00e+00 m 0 278 280 277 0 272 7.722 4.310 119.267 3 U 4.910e+04 0.00e+00 m 0 278 259 277 0 273 7.722 4.120 119.267 3 U 1.091e+04 0.00e+00 m 0 278 282 277 0 274 7.722 3.796 119.267 3 U 1.697e+04 0.00e+00 m 0 278 283 277 0 275 7.701 7.258 119.775 3 U 1.422e+04 0.00e+00 m 0 1177 1187 1176 0 276 7.701 3.893 119.775 3 U 1.321e+04 0.00e+00 m 0 1177 1179 1176 0 277 7.701 3.615 119.775 3 U 5.399e+03 0.00e+00 m 0 1177 1161 1176 0 278 8.939 4.586 124.751 3 U 1.433e+03 0.00e+00 m 0 288 280 287 0 279 8.939 4.113 124.751 3 U 7.390e+02 0.00e+00 m 0 288 282 287 0 280 8.939 3.741 124.751 3 U 7.570e+02 0.00e+00 m 0 288 290 287 0 281 8.939 1.826 124.751 3 U 8.830e+02 0.00e+00 m 0 288 294 287 0 282 8.939 1.663 124.751 3 U 6.730e+02 0.00e+00 m 0 288 298 287 0 283 10.180 2.881 123.195 4 U 7.942e+03 0.00e+00 m 0 157 620 156 0 284 10.180 2.702 123.195 3 U 1.165e+04 0.00e+00 m 0 157 162 156 0 285 10.180 1.393 123.195 3 U 7.360e+02 0.00e+00 m 0 157 642 156 0 287 10.180 0.876 123.195 3 U 3.141e+03 0.00e+00 m 0 157 710 156 0 288 10.180 0.656 123.195 3 U 1.146e+03 0.00e+00 m 0 157 701 156 0 289 10.180 2.399 123.195 3 U 8.550e+02 0.00e+00 m 0 157 540 156 0 290 10.180 2.247 123.195 3 U 7.160e+02 0.00e+00 m 0 157 541 156 0 292 10.180 3.439 123.195 3 U 1.011e+03 0.00e+00 m 0 157 619 156 0 294 7.607 2.831 121.584 3 U 5.519e+03 0.00e+00 m 0 180 161 179 0 296 7.607 1.903 121.584 3 U 7.976e+03 0.00e+00 m 0 180 185 179 0 297 7.607 1.083 121.584 3 U 2.936e+03 0.00e+00 m 0 180 172 179 0 298 7.607 0.656 121.584 4 U 5.391e+03 0.00e+00 m 0 180 646 179 0 299 10.180 1.069 123.195 3 U 2.562e+03 0.00e+00 m 0 157 671 156 0 300 7.607 2.123 121.584 3 U 8.566e+03 0.00e+00 m 0 180 190 179 0 301 7.607 1.985 121.584 3 U 6.949e+03 0.00e+00 m 0 180 184 179 0 302 7.607 3.598 121.584 4 U 9.520e+02 0.00e+00 m 0 180 902 179 0 303 8.260 2.130 114.642 3 U 5.302e+03 0.00e+00 m 0 195 190 194 0 304 8.260 1.985 114.642 3 U 6.821e+03 0.00e+00 m 0 195 184 194 0 305 8.260 1.889 114.642 3 U 9.021e+03 0.00e+00 m 0 195 185 194 0 306 8.260 1.772 114.642 3 U 6.660e+03 0.00e+00 m 0 195 199 194 0 308 8.260 0.656 114.642 3 U 2.850e+04 0.00e+00 m 0 195 200 194 0 309 7.934 1.572 120.550 3 U 6.017e+03 0.00e+00 m 0 257 261 256 0 310 7.934 1.248 120.550 3 U 2.550e+03 0.00e+00 m 0 257 268 256 0 311 7.934 1.007 120.550 3 U 3.527e+03 0.00e+00 m 0 257 269 256 0 312 7.934 0.559 120.550 3 U 1.248e+04 0.00e+00 m 0 257 262 256 0 313 7.722 1.565 119.267 4 U 1.109e+04 0.00e+00 m 0 278 261 277 0 314 7.722 1.248 119.267 3 U 9.978e+03 0.00e+00 m 0 278 268 277 0 315 7.722 1.007 119.267 3 U 5.889e+03 0.00e+00 m 0 278 269 277 0 317 7.722 0.552 119.267 3 U 1.048e+04 0.00e+00 m 0 278 262 277 0 318 8.612 2.780 117.819 3 U 2.292e+03 0.00e+00 m 0 213 903 212 0 320 8.612 1.774 117.819 3 U 1.194e+04 0.00e+00 m 0 213 199 212 0 322 8.612 0.823 117.819 3 U 2.976e+03 0.00e+00 m 0 213 913 212 0 323 8.612 0.664 117.819 3 U 9.441e+03 0.00e+00 m 0 213 201 212 0 324 7.701 2.135 119.775 3 U 1.375e+03 0.00e+00 m 0 1177 1145 1176 0 325 7.701 1.663 119.775 3 U 4.345e+03 0.00e+00 m 0 1177 1163 1176 0 326 7.701 1.353 119.775 3 U 3.195e+04 0.00e+00 m 0 1177 1180 1176 0 328 7.701 0.738 119.775 3 U 4.385e+03 0.00e+00 m 0 1177 1319 1176 0 330 7.934 7.614 120.550 3 U 4.789e+03 0.00e+00 m 0 257 978 256 0 333 8.019 7.222 117.146 3 U 9.146e+03 0.00e+00 m 0 314 340 313 0 336 8.019 4.118 117.146 3 U 4.732e+03 0.00e+00 m 0 314 282 313 0 337 8.019 3.969 117.146 3 U 8.691e+03 0.00e+00 m 0 314 316 313 0 338 8.019 3.777 117.146 3 U 4.277e+03 0.00e+00 m 0 314 283 313 0 341 7.216 7.717 119.831 3 U 3.664e+03 0.00e+00 m 0 340 278 339 0 342 7.216 7.395 119.831 3 U 4.931e+03 0.00e+00 m 0 340 384 339 0 343 7.216 8.027 119.831 3 U 1.445e+04 0.00e+00 m 0 340 314 339 0 344 7.216 7.073 119.831 3 U 2.744e+04 0.00e+00 m 0 340 362 339 0 346 7.216 4.583 119.831 3 U 1.124e+03 0.00e+00 m 0 340 280 339 0 347 7.216 4.124 119.831 3 U 5.174e+03 0.00e+00 m 0 340 282 339 0 348 7.216 3.951 119.831 3 U 2.606e+04 0.00e+00 m 0 340 342 339 0 349 7.216 3.771 119.831 3 U 7.214e+03 0.00e+00 m 0 340 283 339 0 351 7.061 7.216 116.339 3 U 2.230e+04 0.00e+00 m 0 362 340 361 0 352 7.061 7.389 116.339 3 U 1.454e+04 0.00e+00 m 0 362 384 361 0 353 7.061 7.600 116.339 3 U 3.721e+03 0.00e+00 m 0 362 399 361 0 354 7.061 8.002 116.339 3 U 1.608e+03 0.00e+00 m 0 362 314 361 0 357 7.061 3.945 116.339 3 U 6.958e+03 0.00e+00 m 0 362 342 361 0 360 7.395 7.606 115.368 3 U 1.847e+04 0.00e+00 m 0 384 399 383 0 361 7.395 7.243 115.368 3 U 4.851e+03 0.00e+00 m 0 384 340 383 0 362 7.395 7.061 115.368 3 U 1.668e+04 0.00e+00 m 0 384 362 383 0 363 7.395 4.168 115.368 3 U 1.588e+04 0.00e+00 m 0 384 386 383 0 364 7.395 3.945 115.368 3 U 7.544e+03 0.00e+00 m 0 384 316 383 0 365 7.395 3.753 115.368 3 U 1.849e+03 0.00e+00 m 0 384 290 383 0 366 7.395 7.996 115.368 3 U 1.041e+03 0.00e+00 m 0 384 314 383 0 370 9.044 7.610 123.647 3 U 2.124e+04 0.00e+00 m 0 443 457 442 0 371 9.044 8.546 123.647 3 U 2.388e+03 0.00e+00 m 0 443 739 442 0 373 9.044 7.146 123.647 3 U 2.184e+03 0.00e+00 m 0 443 425 442 0 374 7.591 8.551 117.862 3 U 6.540e+03 0.00e+00 m 0 457 739 456 0 375 7.591 9.054 117.862 3 U 2.449e+04 0.00e+00 m 0 457 443 456 0 376 7.591 4.989 117.862 3 U 4.647e+03 0.00e+00 m 0 457 445 456 0 377 7.591 4.630 117.862 3 U 4.175e+03 0.00e+00 m 0 457 459 456 0 378 7.591 4.304 117.862 3 U 1.476e+03 0.00e+00 m 0 457 758 456 0 379 7.591 3.934 117.862 3 U 5.576e+03 0.00e+00 m 0 457 427 456 0 380 9.044 4.993 123.647 3 U 6.379e+03 0.00e+00 m 0 443 445 442 0 382 9.044 4.304 123.647 3 U 6.283e+03 0.00e+00 m 0 443 758 442 0 383 9.044 3.926 123.647 3 U 3.404e+04 0.00e+00 m 0 443 427 442 0 384 7.123 3.926 120.886 3 U 1.210e+04 0.00e+00 m 0 425 427 424 0 385 7.123 7.293 120.886 3 U 5.391e+03 0.00e+00 m 0 425 1094 424 0 386 7.123 7.380 120.886 3 U 3.664e+03 0.00e+00 m 0 425 384 424 0 387 8.492 5.288 121.612 3 U 2.446e+04 0.00e+00 m 0 511 487 510 0 393 9.153 8.808 130.621 3 U 6.146e+03 0.00e+00 m 0 532 668 531 0 395 9.153 8.500 130.621 3 U 2.175e+03 0.00e+00 m 0 532 511 531 0 398 9.153 4.441 130.621 3 U 3.400e+04 0.00e+00 m 0 532 513 531 0 399 9.153 4.303 130.621 3 U 5.367e+03 0.00e+00 m 0 532 680 531 0 400 8.019 1.848 117.146 3 U 8.521e+03 0.00e+00 m 0 314 294 313 0 401 8.019 1.709 117.146 3 U 2.195e+04 0.00e+00 m 0 314 320 313 0 402 8.019 1.570 117.146 3 U 7.055e+03 0.00e+00 m 0 314 324 313 0 406 7.216 1.709 119.831 3 U 2.188e+04 0.00e+00 m 0 340 320 339 0 407 7.216 1.509 119.831 3 U 5.122e+04 0.00e+00 m 0 340 346 339 0 408 7.216 1.139 119.831 3 U 3.217e+03 0.00e+00 m 0 340 370 339 0 409 7.216 0.781 119.831 3 U 4.772e+03 0.00e+00 m 0 340 349 339 0 410 7.216 0.569 119.831 3 U 2.266e+03 0.00e+00 m 0 340 271 339 0 413 7.061 3.426 116.339 3 U 1.274e+04 0.00e+00 m 0 362 364 361 0 415 7.061 1.832 116.339 3 U 1.506e+03 0.00e+00 m 0 362 294 361 0 417 7.061 1.501 116.339 3 U 1.326e+04 0.00e+00 m 0 362 346 361 0 418 7.061 1.347 116.339 3 U 1.806e+04 0.00e+00 m 0 362 366 361 0 419 7.061 1.139 116.339 3 U 2.413e+04 0.00e+00 m 0 362 370 361 0 421 7.061 0.770 116.339 3 U 4.334e+03 0.00e+00 m 0 362 349 361 0 422 7.061 0.554 116.339 3 U 3.466e+03 0.00e+00 m 0 362 271 361 0 423 7.061 0.207 116.339 3 U 9.930e+03 0.00e+00 m 0 362 367 361 0 424 7.061 -0.262 116.339 3 U 6.090e+03 0.00e+00 m 0 362 372 361 0 425 7.061 3.750 116.339 3 U 6.998e+03 0.00e+00 m 0 362 290 361 0 426 7.395 3.426 115.368 3 U 5.359e+03 0.00e+00 m 0 384 364 383 0 427 7.395 2.456 115.368 3 U 1.645e+04 0.00e+00 m 0 384 392 383 0 428 7.395 2.079 115.368 3 U 2.809e+04 0.00e+00 m 0 384 389 383 0 429 7.395 1.701 115.368 3 U 4.010e+03 0.00e+00 m 0 384 407 383 0 430 7.395 1.347 115.368 3 U 6.917e+03 0.00e+00 m 0 384 366 383 0 431 7.395 1.139 115.368 3 U 2.170e+03 0.00e+00 m 0 384 370 383 0 432 7.395 0.777 115.368 3 U 2.751e+03 0.00e+00 m 0 384 349 383 0 433 7.395 0.184 115.368 3 U 4.203e+03 0.00e+00 m 0 384 367 383 0 434 7.395 -0.270 115.368 3 U 1.486e+03 0.00e+00 m 0 384 372 383 0 435 7.598 3.434 116.260 3 U 4.363e+03 0.00e+00 m 0 399 364 398 0 436 7.598 3.118 116.260 3 U 3.225e+03 0.00e+00 m 0 399 413 398 0 438 7.598 2.448 116.260 3 U 1.937e+03 0.00e+00 m 0 399 392 398 0 439 7.598 2.348 116.260 3 U 2.030e+03 0.00e+00 m 0 399 393 398 0 440 7.598 2.079 116.260 3 U 2.034e+04 0.00e+00 m 0 399 389 398 0 441 7.598 1.740 116.260 3 U 2.868e+04 0.00e+00 m 0 399 404 398 0 442 7.395 2.348 115.368 3 U 1.086e+04 0.00e+00 m 0 384 393 383 0 444 7.598 0.777 116.260 3 U 1.093e+04 0.00e+00 m 0 399 349 398 0 445 7.598 -0.270 116.260 3 U 7.270e+02 0.00e+00 m 0 399 372 398 0 446 7.598 0.192 116.260 3 U 7.030e+02 0.00e+00 m 0 399 367 398 0 447 7.123 3.434 120.886 3 U 4.453e+03 0.00e+00 m 0 425 364 424 0 448 7.123 2.140 120.886 3 U 3.295e+04 0.00e+00 m 0 425 429 424 0 449 7.123 1.740 120.886 3 U 4.283e+03 0.00e+00 m 0 425 404 424 0 451 7.123 1.016 120.886 3 U 8.646e+03 0.00e+00 m 0 425 431 424 0 452 7.123 0.777 120.886 3 U 2.940e+04 0.00e+00 m 0 425 430 424 0 453 7.123 0.669 120.886 3 U 3.948e+03 0.00e+00 m 0 425 762 424 0 454 7.123 -0.262 120.886 3 U 1.401e+03 0.00e+00 m 0 425 372 424 0 455 9.044 3.041 123.647 3 U 2.329e+03 0.00e+00 m 0 443 745 442 0 456 9.044 2.826 123.647 3 U 9.294e+03 0.00e+00 m 0 443 449 442 0 457 9.044 2.125 123.647 3 U 2.699e+03 0.00e+00 m 0 443 429 442 0 459 9.044 1.016 123.647 3 U 9.962e+03 0.00e+00 m 0 443 431 442 0 460 9.044 0.777 123.647 3 U 5.897e+03 0.00e+00 m 0 443 430 442 0 461 9.044 0.669 123.647 3 U 3.982e+03 0.00e+00 m 0 443 762 442 0 463 7.591 3.049 117.862 3 U 8.873e+03 0.00e+00 m 0 457 745 456 0 464 7.591 2.826 117.862 3 U 5.704e+03 0.00e+00 m 0 457 449 456 0 465 7.591 2.364 117.862 3 U 3.721e+03 0.00e+00 m 0 457 467 456 0 466 7.591 2.117 117.862 3 U 4.584e+03 0.00e+00 m 0 457 461 456 0 467 7.591 1.824 117.862 3 U 4.989e+03 0.00e+00 m 0 457 462 456 0 468 7.591 1.016 117.862 3 U 2.005e+04 0.00e+00 m 0 457 431 456 0 469 7.591 0.777 117.862 3 U 3.020e+03 0.00e+00 m 0 457 430 456 0 470 7.591 0.669 117.862 3 U 1.594e+03 0.00e+00 m 0 457 726 456 0 471 8.492 2.756 121.612 3 U 2.368e+03 0.00e+00 m 0 511 1336 510 0 472 8.492 1.786 121.612 3 U 2.738e+04 0.00e+00 m 0 511 515 510 0 473 8.492 1.586 121.612 3 U 5.214e+03 0.00e+00 m 0 511 493 510 0 474 8.492 1.347 121.612 3 U 6.475e+03 0.00e+00 m 0 511 522 510 0 475 8.492 1.147 121.612 3 U 8.407e+03 0.00e+00 m 0 511 523 510 0 476 8.492 0.777 121.612 3 U 6.837e+03 0.00e+00 m 0 511 516 510 0 477 9.153 2.379 130.621 3 U 2.181e+03 0.00e+00 m 0 532 540 531 0 478 9.153 2.233 130.621 3 U 3.681e+03 0.00e+00 m 0 532 541 531 0 479 9.153 2.040 130.621 3 U 1.850e+04 0.00e+00 m 0 532 538 531 0 481 9.153 1.593 130.621 3 U 1.194e+03 0.00e+00 m 0 532 493 531 0 482 9.153 1.470 130.621 3 U 1.974e+03 0.00e+00 m 0 532 707 531 0 483 9.153 1.347 130.621 3 U 2.218e+03 0.00e+00 m 0 532 522 531 0 484 9.153 1.054 130.621 4 U 3.976e+03 0.00e+00 m 0 532 708 531 0 485 9.153 0.777 130.621 3 U 1.457e+04 0.00e+00 m 0 532 516 531 0 487 8.492 3.187 121.612 3 U 1.786e+03 0.00e+00 m 0 511 498 510 0 491 8.680 9.149 126.813 3 U 1.660e+03 0.00e+00 m 0 550 532 549 0 492 8.680 4.674 126.813 3 U 1.818e+04 0.00e+00 m 0 550 534 549 0 495 8.356 8.687 123.200 3 U 3.579e+03 0.00e+00 m 0 576 550 575 0 503 8.356 8.807 123.200 3 U 1.193e+03 0.00e+00 m 0 576 668 575 0 505 8.291 7.988 122.913 3 U 6.516e+03 0.00e+00 m 0 586 615 585 0 507 8.291 4.969 122.913 3 U 1.005e+03 0.00e+00 m 0 586 617 585 0 508 8.291 4.605 122.913 3 U 7.828e+03 0.00e+00 m 0 586 588 585 0 509 8.291 4.332 122.913 3 U 3.381e+04 0.00e+00 m 0 586 578 585 0 510 8.291 3.870 122.913 3 U 1.319e+03 0.00e+00 m 0 586 599 585 0 514 8.160 8.311 108.273 3 U 9.475e+03 0.00e+00 m 0 597 586 596 0 515 8.160 8.453 108.273 3 U 5.174e+03 0.00e+00 m 0 597 604 596 0 516 8.160 4.613 108.273 3 U 4.624e+03 0.00e+00 m 0 597 588 596 0 517 8.160 4.332 108.273 3 U 1.490e+03 0.00e+00 m 0 597 578 596 0 518 8.160 3.870 108.273 3 U 2.008e+04 0.00e+00 m 0 597 599 596 0 519 8.453 8.689 122.264 3 U 1.156e+03 0.00e+00 m 0 604 550 603 0 520 8.453 8.170 122.264 3 U 5.632e+03 0.00e+00 m 0 604 597 603 0 522 8.453 4.567 122.264 3 U 5.190e+03 0.00e+00 m 0 604 606 603 0 523 8.453 3.877 122.264 3 U 1.068e+04 0.00e+00 m 0 604 599 603 0 524 7.986 8.458 116.122 3 U 2.034e+04 0.00e+00 m 0 615 604 614 0 527 7.986 8.313 116.122 3 U 6.805e+03 0.00e+00 m 0 615 586 614 0 528 7.986 8.130 116.122 3 U 7.146e+03 0.00e+00 m 0 615 597 614 0 531 7.986 4.954 116.122 3 U 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544 0 1404 8.687 2.044 114.263 3 U 3.136e+03 0.00e+00 m 0 545 538 544 0 1405 8.687 1.375 114.263 3 U 4.789e+03 0.00e+00 m 0 545 642 544 0 1406 8.687 1.057 114.263 3 U 3.466e+03 0.00e+00 m 0 545 671 544 0 1409 8.687 0.738 114.263 3 U 1.218e+03 0.00e+00 m 0 545 645 544 0 1410 8.687 0.879 114.263 3 U 1.065e+03 0.00e+00 m 0 545 710 544 0 1411 7.234 2.902 114.260 3 U 5.592e+03 0.00e+00 m 0 546 620 544 0 1412 7.234 2.691 114.260 3 U 6.371e+03 0.00e+00 m 0 546 162 544 0 1413 7.234 2.378 114.260 3 U 3.971e+03 0.00e+00 m 0 546 540 544 0 1415 7.234 2.244 114.260 3 U 2.445e+03 0.00e+00 m 0 546 541 544 0 1416 7.234 2.039 114.260 3 U 1.820e+03 0.00e+00 m 0 546 538 544 0 1417 7.234 1.380 114.260 3 U 3.993e+03 0.00e+00 m 0 546 642 544 0 1418 7.234 1.057 114.260 3 U 3.337e+03 0.00e+00 m 0 546 671 544 0 1419 7.234 0.884 114.260 3 U 7.780e+02 0.00e+00 m 0 546 710 544 0 1421 7.234 0.738 114.260 3 U 9.330e+02 0.00e+00 m 0 546 645 544 0 1423 8.118 8.118 117.587 4 U 2.992e+05 0.00e+00 m 0 223 223 222 0 1430 7.611 7.933 113.733 3 U 2.360e+03 0.00e+00 m 0 978 257 977 0 1431 7.611 8.509 113.733 3 U 6.280e+02 0.00e+00 m 0 978 1013 977 0 1435 7.611 4.306 113.733 3 U 9.520e+02 0.00e+00 m 0 978 1004 977 0 1439 7.474 7.933 113.733 3 U 3.313e+03 0.00e+00 m 0 979 257 977 0 1440 7.474 7.606 113.733 3 U 4.679e+04 0.00e+00 m 0 979 978 977 0 1441 7.611 7.481 113.733 3 U 4.930e+04 0.00e+00 m 0 978 979 977 0 1442 7.611 2.770 113.733 4 U 8.771e+03 0.00e+00 m 0 978 973 977 0 1443 7.611 0.828 113.733 3 U 1.359e+03 0.00e+00 m 0 978 1019 977 0 1444 7.611 0.547 113.733 3 U 1.715e+03 0.00e+00 m 0 978 262 977 0 1445 7.474 2.770 113.733 4 U 5.407e+03 0.00e+00 m 0 979 973 977 0 1446 7.474 0.828 113.733 3 U 1.136e+03 0.00e+00 m 0 979 1019 977 0 1447 7.474 0.547 113.733 3 U 2.357e+03 0.00e+00 m 0 979 262 977 0 1448 7.253 6.879 111.858 3 U 1.431e+05 0.00e+00 m 0 1069 1070 1068 0 1449 7.253 4.732 111.858 4 U 3.185e+03 0.00e+00 m 0 0 0 0 0 1451 6.880 7.260 111.860 3 U 1.320e+05 0.00e+00 m 0 1070 1069 1068 0 1452 6.880 7.540 111.860 4 U 3.831e+04 0.00e+00 m 0 0 0 0 0 1454 7.253 2.358 111.858 3 U 4.306e+03 0.00e+00 m 0 1069 1064 1068 0 1455 7.253 2.133 111.858 3 U 1.450e+03 0.00e+00 m 0 1069 1062 1068 0 1456 7.253 1.054 111.858 3 U 2.542e+03 0.00e+00 m 0 1069 1146 1068 0 1457 7.253 0.864 111.858 3 U 9.060e+02 0.00e+00 m 0 1069 1147 1068 0 1461 6.880 2.364 111.860 3 U 1.803e+03 0.00e+00 m 0 1070 1064 1068 0 1462 6.880 2.120 111.860 3 U 8.670e+02 0.00e+00 m 0 1070 1062 1068 0 1463 6.880 1.658 111.860 3 U 1.574e+03 0.00e+00 m 0 1070 1130 1068 0 1464 6.880 1.054 111.860 3 U 1.349e+03 0.00e+00 m 0 1070 1146 1068 0 1465 6.880 0.857 111.860 3 U 7.450e+02 0.00e+00 m 0 1070 1147 1068 0 1466 7.253 1.651 111.858 3 U 5.650e+02 0.00e+00 m 0 1069 1130 1068 0 1467 7.253 1.903 111.858 3 U 5.210e+02 0.00e+00 m 0 1069 1122 1068 0 1468 6.880 1.896 111.860 3 U 7.330e+02 0.00e+00 m 0 1070 1122 1068 0 1469 7.253 4.014 111.858 3 U 7.020e+02 0.00e+00 m 0 1069 1058 1068 0 1471 6.865 6.208 113.745 3 U 3.890e+04 0.00e+00 m 0 1172 1173 1171 0 1472 6.202 6.861 113.742 3 U 3.368e+04 0.00e+00 m 0 1173 1172 1171 0 1474 6.865 8.102 113.745 3 U 4.170e+02 0.00e+00 m 0 1172 1159 1171 0 1475 6.202 7.230 113.742 3 U 1.161e+03 0.00e+00 m 0 1173 1087 1171 0 1476 6.202 8.102 113.742 3 U 9.970e+02 0.00e+00 m 0 1173 1159 1171 0 1477 6.865 9.996 113.745 3 U 7.280e+02 0.00e+00 m 0 1172 1091 1171 0 1478 6.202 10.003 113.742 3 U 1.009e+03 0.00e+00 m 0 1173 1091 1171 0 1480 6.865 3.602 113.745 3 U 8.690e+02 0.00e+00 m 0 1172 1161 1171 0 1481 6.865 2.863 113.745 3 U 9.770e+02 0.00e+00 m 0 1172 1215 1171 0 1482 6.865 1.449 113.745 3 U 2.622e+03 0.00e+00 m 0 1172 1167 1171 0 1483 6.865 1.076 113.745 3 U 1.224e+03 0.00e+00 m 0 1172 1168 1171 0 1484 6.865 0.856 113.745 3 U 1.468e+03 0.00e+00 m 0 1172 1147 1171 0 1485 6.202 3.602 113.742 3 U 9.160e+02 0.00e+00 m 0 1173 1161 1171 0 1486 6.202 2.855 113.742 3 U 6.140e+02 0.00e+00 m 0 1173 1215 1171 0 1487 6.202 2.115 113.742 3 U 1.065e+03 0.00e+00 m 0 1173 1145 1171 0 1488 6.202 1.441 113.742 3 U 4.931e+03 0.00e+00 m 0 1173 1167 1171 0 1489 6.202 1.644 113.742 3 U 8.970e+02 0.00e+00 m 0 1173 1163 1171 0 1490 6.202 1.096 113.742 3 U 2.079e+03 0.00e+00 m 0 1173 1168 1171 0 1491 6.202 0.848 113.742 3 U 1.060e+03 0.00e+00 m 0 1173 1147 1171 0 1494 7.551 6.891 112.779 3 U 2.059e+05 0.00e+00 m 0 1256 1257 1255 0 1495 7.551 4.727 112.779 4 U 6.090e+03 0.00e+00 m 0 0 0 0 0 1497 6.873 7.562 112.779 3 U 2.338e+05 0.00e+00 m 0 1257 1256 1255 0 1498 6.873 4.734 112.779 4 U 5.527e+03 0.00e+00 m 0 0 0 0 0 1500 7.551 1.566 112.779 3 U 4.990e+02 0.00e+00 m 0 1256 1211 1255 0 1501 7.551 1.397 112.779 3 U 3.330e+02 0.00e+00 m 0 1256 1207 1255 0 1502 6.873 2.767 112.779 4 U 2.743e+03 0.00e+00 m 0 0 0 0 0 1503 6.873 1.741 112.779 3 U 7.300e+02 0.00e+00 m 0 1257 1203 1255 0 1504 6.873 1.588 112.779 3 U 8.460e+02 0.00e+00 m 0 1257 1211 1255 0 1505 6.873 1.359 112.779 3 U 5.580e+02 0.00e+00 m 0 1257 1207 1255 0 1506 6.873 3.836 112.779 4 U 7.140e+02 0.00e+00 m 0 1257 1263 1255 0 1513 7.437 6.597 111.697 3 U 9.410e+04 0.00e+00 m 0 1309 1310 1308 0 1515 6.596 7.440 111.696 3 U 7.672e+04 0.00e+00 m 0 1310 1309 1308 0 1517 6.596 4.694 111.696 3 U 1.102e+03 0.00e+00 m 0 1310 1302 1308 0 1518 6.596 4.985 111.696 3 U 5.580e+02 0.00e+00 m 0 1310 445 1308 0 1519 7.437 4.985 111.697 3 U 6.730e+02 0.00e+00 m 0 1309 445 1308 0 1520 7.437 4.700 111.697 3 U 2.016e+03 0.00e+00 m 0 1309 1302 1308 0 1521 7.437 3.908 111.697 3 U 8.480e+02 0.00e+00 m 0 1309 1179 1308 0 1522 7.437 2.685 111.697 3 U 5.471e+03 0.00e+00 m 0 1309 1304 1308 0 1523 7.437 2.533 111.697 3 U 7.078e+03 0.00e+00 m 0 1309 1305 1308 0 1524 7.437 2.146 111.697 3 U 7.510e+02 0.00e+00 m 0 1309 429 1308 0 1530 6.596 3.901 111.696 3 U 8.130e+02 0.00e+00 m 0 1310 1179 1308 0 1531 6.596 2.685 111.696 3 U 2.025e+03 0.00e+00 m 0 1310 1304 1308 0 1532 6.596 2.526 111.696 3 U 2.642e+03 0.00e+00 m 0 1310 1305 1308 0 1533 6.596 2.119 111.696 4 U 7.350e+02 0.00e+00 m 0 1310 429 1308 0 1573 7.631 7.664 119.642 4 U 7.453e+04 0.00e+00 m 0 0 0 0 0 1575 7.767 8.877 120.156 4 U 8.620e+02 0.00e+00 m 0 0 0 0 0 1576 7.314 8.330 120.376 1 U 1.900e+03 0.00e+00 m 0 969 1031 968 0 1577 9.080 1.092 116.471 1 U 6.140e+02 0.00e+00 m 0 167 172 166 0 1578 7.607 2.702 121.584 1 U 2.863e+03 0.00e+00 m 0 180 162 179 0 1579 8.274 1.122 128.377 1 U 1.303e+03 0.00e+00 m 0 58 49 57 0 1581 8.352 10.180 119.667 1 U 1.147e+03 0.00e+00 m 0 147 157 146 0 1583 8.183 3.856 117.843 1 U 1.100e+03 0.00e+00 m 0 137 143 136 0 1584 7.889 2.993 118.529 1 U 2.663e+03 0.00e+00 m 0 240 244 239 0 1585 7.889 2.912 118.529 1 U 3.434e+03 0.00e+00 m 0 240 245 239 0 1587 7.395 4.470 115.368 1 U 9.110e+02 0.00e+00 m 0 384 401 383 0 1589 6.966 1.827 112.223 1 U 6.990e+02 0.00e+00 m 0 453 760 451 0 1590 6.596 1.012 111.696 1 U 1.211e+03 0.00e+00 m 0 1310 431 1308 0 1591 8.612 9.486 117.819 1 U 7.910e+02 0.00e+00 m 0 213 908 212 0 1592 10.180 9.075 123.195 1 U 4.870e+02 0.00e+00 m 0 157 167 156 0 1593 8.144 3.143 120.670 1 U 2.471e+03 0.00e+00 m 0 825 839 824 0 1595 9.155 8.362 125.472 1 U 3.249e+03 0.00e+00 m 0 774 799 773 0 1598 8.355 7.540 118.596 1 U 7.340e+02 0.00e+00 m 0 926 952 925 0 1600 8.339 8.360 118.596 1 U 1.712e+05 0.00e+00 m 0 799 799 798 0 1601 8.355 8.360 118.596 1 U 2.010e+05 0.00e+00 m 0 926 926 925 0 1602 8.355 0.819 118.596 1 U 1.285e+04 0.00e+00 m 0 926 913 925 0 1606 8.355 3.783 118.596 1 U 2.346e+04 0.00e+00 m 0 926 930 925 0 1609 7.611 2.672 113.733 1 U 5.439e+03 0.00e+00 m 0 978 974 977 0 1610 7.474 2.679 113.733 1 U 2.663e+03 0.00e+00 m 0 979 974 977 0 1616 9.044 1.822 123.647 1 U 1.817e+03 0.00e+00 m 0 443 0 442 0 1617 6.880 4.732 111.860 1 U 3.902e+03 0.00e+00 m 0 1070 0 1068 0 1619 8.088 1.088 118.101 1 U 7.203e+03 0.00e+00 m 0 1159 1168 1158 0 1620 6.865 2.137 113.745 1 U 4.560e+02 0.00e+00 m 0 1172 1145 1171 0 1621 8.378 4.214 116.989 1 U 3.732e+03 0.00e+00 m 0 1247 1224 1246 0 1622 8.378 1.391 116.989 1 U 6.870e+02 0.00e+00 m 0 1247 1207 1246 0 1623 7.551 2.825 112.779 1 U 2.815e+03 0.00e+00 m 0 1256 1252 1255 0 1624 7.551 2.912 112.779 1 U 7.860e+02 0.00e+00 m 0 1256 1251 1255 0 1625 7.437 1.017 111.697 1 U 1.028e+03 0.00e+00 m 0 1309 431 1308 0 1628 8.249 1.868 119.837 1 U 1.846e+03 0.00e+00 m 0 1476 0 1475 0 1630 8.249 1.730 119.837 1 U 2.683e+03 0.00e+00 m 0 1476 0 1475 0 1633 8.355 4.499 118.596 1 U 1.326e+04 0.00e+00 m 0 926 928 925 0 1636 7.234 4.498 114.260 1 U 2.042e+03 0.00e+00 m 0 546 0 544 0 1641 6.760 6.262 113.219 1 U 3.681e+04 0.00e+00 m 0 0 0 0 0 1642 6.760 6.746 113.219 1 U 3.663e+04 0.00e+00 m 0 0 0 0 0 1643 6.760 7.214 113.219 1 U 8.990e+02 0.00e+00 m 0 0 0 0 0 1644 6.760 8.061 113.219 1 U 2.210e+02 0.00e+00 m 0 0 0 0 0 1645 6.760 10.027 113.219 1 U 4.750e+02 0.00e+00 m 0 0 0 0 0 1646 6.760 3.676 113.219 1 U 6.150e+02 0.00e+00 m 0 0 0 0 0 1647 6.760 1.452 113.219 1 U 1.582e+03 0.00e+00 m 0 0 0 0 0 1648 6.760 1.150 113.219 1 U 1.150e+03 0.00e+00 m 0 0 0 0 0 1649 6.760 0.863 113.219 1 U 1.112e+03 0.00e+00 m 0 0 0 0 0 1650 6.269 6.262 113.219 1 U 4.814e+04 0.00e+00 m 0 0 0 0 0 1651 6.269 6.761 113.219 1 U 3.268e+04 0.00e+00 m 0 0 0 0 0 1652 6.269 7.199 113.219 1 U 9.450e+02 0.00e+00 m 0 0 0 0 0 1653 6.269 8.046 113.219 1 U 7.930e+02 0.00e+00 m 0 0 0 0 0 1654 6.269 10.043 113.219 1 U 4.090e+02 0.00e+00 m 0 0 0 0 0 1655 6.269 3.691 113.219 1 U 1.450e+02 0.00e+00 m 0 0 0 0 0 1656 6.269 2.103 113.219 1 U 5.920e+02 0.00e+00 m 0 0 0 0 0 1657 6.269 1.437 113.219 1 U 2.428e+03 0.00e+00 m 0 0 0 0 0 1658 6.269 1.135 113.219 1 U 1.976e+03 0.00e+00 m 0 0 0 0 0 1659 6.269 0.832 113.219 1 U 8.200e+02 0.00e+00 m 0 0 0 0 0 1660 6.269 1.649 113.219 1 U 8.340e+02 0.00e+00 m 0 0 0 0 0 1661 8.258 2.830 120.413 1 U 7.692e+03 0.00e+00 m 0 1332 1337 1331 0 1664 9.386 2.852 127.797 1 U 5.430e+02 0.00e+00 m 0 696 161 695 0 1665 9.386 3.222 127.797 1 U 7.840e+02 0.00e+00 m 0 696 497 695 0 1666 8.355 3.633 118.596 1 U 2.153e+04 0.00e+00 m 0 926 931 925 0 1669 8.260 3.607 114.642 1 U 6.280e+02 0.00e+00 m 0 195 902 194 0 1670 8.612 3.610 117.819 1 U 3.309e+03 0.00e+00 m 0 213 902 212 0 1686 8.355 8.120 118.596 1 U 8.907e+03 0.00e+00 m 0 926 223 925 0 1687 7.314 2.766 120.376 1 U 3.036e+04 0.00e+00 m 0 969 973 968 0 1688 7.314 2.658 120.376 1 U 2.741e+04 0.00e+00 m 0 969 974 968 0 1692 7.740 0.905 117.762 1 U 3.004e+03 0.00e+00 m 0 1000 0 999 0 1693 8.515 1.860 123.241 1 U 1.965e+03 0.00e+00 m 0 1013 0 1012 0 1694 8.515 0.910 123.241 1 U 2.079e+04 0.00e+00 m 0 1013 0 1012 0 1697 8.515 2.776 123.241 1 U 2.968e+03 0.00e+00 m 0 1013 0 1012 0 1698 8.515 2.678 123.241 1 U 5.174e+03 0.00e+00 m 0 1013 0 1012 0 1700 7.740 1.864 117.762 1 U 8.230e+02 0.00e+00 m 0 1000 0 999 0 1710 7.598 1.634 116.260 1 U 1.187e+04 0.00e+00 m 0 399 408 398 0 1711 7.314 1.383 120.376 1 U 1.648e+03 0.00e+00 m 0 969 0 968 0 1715 8.421 4.288 128.120 1 U 1.219e+03 0.00e+00 m 0 1785 1762 1784 0 1720 8.421 4.085 128.120 1 U 4.073e+03 0.00e+00 m 0 1785 0 1784 0 1721 8.421 1.780 128.120 1 U 3.770e+02 0.00e+00 m 0 1785 1764 1784 0 1722 8.421 1.350 128.120 1 U 2.329e+03 0.00e+00 m 0 1785 0 1784 0 1723 8.421 0.873 128.120 1 U 6.230e+02 0.00e+00 m 0 1785 0 1784 0 1724 8.421 8.421 128.120 1 U 2.629e+04 0.00e+00 m 0 1785 1785 1784 0 1726 8.258 2.487 120.413 1 U 8.340e+02 0.00e+00 m 0 1332 1107 1331 0 1729 8.045 2.338 118.813 1 U 1.416e+04 0.00e+00 m 0 1056 0 1055 0 1731 7.061 2.079 116.339 1 U 2.141e+03 0.00e+00 m 0 362 389 361 0 1732 7.061 2.362 116.339 1 U 9.600e+02 0.00e+00 m 0 362 393 361 0 1734 7.061 2.446 116.339 1 U 1.490e+03 0.00e+00 m 0 362 392 361 0 1736 7.969 1.880 121.887 1 U 2.374e+03 0.00e+00 m 0 1074 0 1073 0 1739 7.234 4.643 114.260 1 U 7.930e+02 0.00e+00 m 0 546 0 544 0 1740 8.316 8.316 121.184 1 U 1.890e+05 0.00e+00 m 0 983 983 982 0 1742 8.316 7.756 121.184 1 U 3.289e+03 0.00e+00 m 0 983 1000 982 0 1743 8.316 7.594 121.184 1 U 8.110e+02 0.00e+00 m 0 983 978 982 0 1744 8.316 7.321 121.184 1 U 1.022e+03 0.00e+00 m 0 983 969 982 0 1745 8.420 9.043 123.524 1 U 7.820e+02 0.00e+00 m 0 756 443 755 0 1746 8.316 4.160 121.184 1 U 4.283e+03 0.00e+00 m 0 983 985 982 0 1747 8.316 3.208 121.184 1 U 1.052e+03 0.00e+00 m 0 983 988 982 0 1748 8.316 2.814 121.184 1 U 4.096e+03 0.00e+00 m 0 983 0 982 0 1750 8.316 1.850 121.184 1 U 1.166e+04 0.00e+00 m 0 983 0 982 0 1751 8.316 1.384 121.184 1 U 4.635e+03 0.00e+00 m 0 983 0 982 0 1753 8.316 0.729 121.184 1 U 3.253e+03 0.00e+00 m 0 983 0 982 0 1754 8.316 0.889 121.184 1 U 1.976e+03 0.00e+00 m 0 983 0 982 0 1755 7.474 4.309 113.733 1 U 1.389e+03 0.00e+00 m 0 979 1004 977 0 1766 8.118 4.720 117.587 1 U 5.608e+03 0.00e+00 m 0 223 0 222 0 1767 8.118 4.318 117.587 1 U 1.025e+04 0.00e+00 m 0 223 0 222 0 1768 8.118 4.005 117.587 1 U 1.719e+03 0.00e+00 m 0 223 0 222 0 1771 8.161 3.913 121.000 1 U 7.544e+03 0.00e+00 m 0 37 0 36 0 1772 8.274 1.527 128.377 1 U 3.818e+04 0.00e+00 m 0 58 64 57 0 1774 8.077 1.294 121.013 1 U 7.635e+03 0.00e+00 m 0 96 0 95 0 1777 8.202 2.781 114.681 1 U 4.527e+03 0.00e+00 m 0 127 0 126 0 1778 8.202 2.643 114.681 1 U 5.985e+03 0.00e+00 m 0 127 0 126 0 1779 8.612 1.292 117.819 1 U 2.101e+03 0.00e+00 m 0 213 0 212 0 1780 8.202 3.896 114.681 1 U 1.104e+04 0.00e+00 m 0 127 0 126 0 1783 8.680 4.435 126.813 1 U 7.203e+03 0.00e+00 m 0 550 552 549 0 1784 8.811 4.435 120.342 1 U 4.840e+03 0.00e+00 m 0 668 552 667 0 1785 8.356 4.402 123.200 1 U 3.831e+04 0.00e+00 m 0 576 552 575 0 1788 8.356 4.603 123.200 1 U 4.533e+03 0.00e+00 m 0 576 660 575 0 1789 9.386 9.453 127.797 1 U 8.714e+03 0.00e+00 m 0 696 485 695 0 1791 9.452 9.387 125.037 1 U 1.081e+04 0.00e+00 m 0 485 696 484 0 1794 7.377 8.357 118.659 1 U 4.777e+03 0.00e+00 m 0 636 576 635 0 1795 7.377 8.688 118.659 1 U 5.768e+03 0.00e+00 m 0 636 545 635 0 1798 9.038 4.503 122.155 1 U 5.801e+03 0.00e+00 m 0 678 928 677 0 1799 9.484 4.544 122.385 1 U 3.434e+03 0.00e+00 m 0 908 698 907 0 1802 8.144 8.427 120.670 1 U 1.370e+04 0.00e+00 m 0 825 756 824 0 1804 8.274 4.169 128.377 1 U 6.008e+04 0.00e+00 m 0 58 0 57 0 1806 8.258 4.839 120.413 1 U 3.233e+03 0.00e+00 m 0 1332 1334 1331 0 1807 8.317 7.759 108.797 1 U 1.705e+03 0.00e+00 m 0 1293 1300 1292 0 1808 8.317 4.675 108.797 1 U 2.538e+03 0.00e+00 m 0 1293 0 1292 0 1809 8.047 5.318 121.936 1 U 4.897e+03 0.00e+00 m 0 1342 0 1341 0 ; 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 HN . . 8.331487 ppm . . . 4.78 . . 30445 3 2 . . H 1 H-aliphatic . . 11.902123 ppm . . . 4.78 . . 30445 3 3 . . N 15 N . aliased 32.885002 ppm . . . 119 . . 30445 3 stop_ save_