data_18551 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18551 _Entry.Title ; Solution NMR structure of C2H2-type Zinc-fingers 4 and 5 from human Insulinoma-associated protein 1 (fragment 424-497), Northeast Structural Genomics Consortium Target HR7614B. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-27 _Entry.Accession_date 2012-06-27 _Entry.Last_release_date 2015-11-16 _Entry.Original_release_date 2015-11-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yunhuang Yang . . . 18551 2 Theresa Ramelot . A. . 18551 3 John Cort . R. . 18551 4 Ritu Shastry . . . 18551 5 Eitan Kohan . . . 18551 6 Haleema Janjua . . . 18551 7 Rong Xiao . . . 18551 8 Thomas Acton . . . 18551 9 John Everett . K. . 18551 10 Gaetano Montelione . T. . 18551 11 Michael Kennedy . A. . 18551 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 18551 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18551 PSI-Biology . 18551 'Protein NMR' . 18551 'Protein Structure Initiative' . 18551 'Structural Genomics' . 18551 'Target HR7614B' . 18551 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18551 spectral_peak_list 5 18551 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 307 18551 '15N chemical shifts' 79 18551 '1H chemical shifts' 474 18551 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-11-16 . original BMRB . 18551 stop_ save_ ############### # Citations # ############### save_Solution_NMR_structure_of_HR7614B _Citation.Sf_category citations _Citation.Sf_framecode Solution_NMR_structure_of_HR7614B _Citation.Entry_ID 18551 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of C2H2-type Zinc-fingers 4 and 5 from human Insulinoma-associated protein 1 (fragment 424-497), Northeast Structural Genomics Consortium Target HR7614B. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yunhuang Yang . . . 18551 1 2 Theresa Ramelot . A. . 18551 1 3 John Cort . R. . 18551 1 4 Ritu Shastry . . . 18551 1 5 Eitan Kohan . . . 18551 1 6 Haleema Janjua . . . 18551 1 7 Rong Xiao . . . 18551 1 8 Thomas Acton . . . 18551 1 9 John Everett . K. . 18551 1 10 Gaetano Montelione . T. . 18551 1 11 Michael Kennedy . A. . 18551 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'C2H2-type Zinc-fingers' 18551 1 NESG 18551 1 'NMR structure' 18551 1 'fragment 424-497' 18551 1 'human Insulinoma-associated protein 1' 18551 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18551 _Assembly.ID 1 _Assembly.Name 'C2H2-type Zinc-fingers 4 and 5 from human Insulinoma-associated protein 1 (fragment 424-497)' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 'C2H2-type Zinc-fingers 4 and 5 from human Insulinoma-associated protein 1 (fragment 424-497)' 1 $HR7614B A . yes native no no . . . 18551 1 2 'Zinc ion, 1' 2 $entity_ZN B . no native no no . . . 18551 1 3 'Zinc ion, 2' 2 $entity_ZN B . no native no no . . . 18551 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordinate single . 1 . 1 CYS 31 31 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 18551 1 2 coordinate single . 1 . 1 CYS 34 34 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 18551 1 3 coordinate single . 1 . 1 HIS 47 47 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 18551 1 4 coordinate single . 1 . 1 HIS 52 52 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 18551 1 5 coordinate single . 1 . 1 CYS 59 59 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 18551 1 6 coordinate single . 1 . 1 CYS 62 62 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 18551 1 7 coordinate single . 1 . 1 HIS 75 75 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 18551 1 8 coordinate single . 1 . 1 HIS 80 80 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 18551 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Zinc finger' 18551 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HR7614B _Entity.Sf_category entity _Entity.Sf_framecode HR7614B _Entity.Entry_ID 18551 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HR7614B _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 ; MGHHHHHHSHMGDGEGAGVL GLSASAECHLCPVCGESFAS KGAQERHLRLLHAAQVFPCK YCPATFYSSPGLTRHINKCH PSENR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9350.260 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LV2 . "Solution Nmr Structure Of C2h2-Type Zinc-Fingers 4 And 5 From Human Insulinoma-Associated Protein 1 (Fragment 424-497), Northea" . . . . . 100.00 85 100.00 100.00 1.81e-53 . . . . 18551 1 2 no PDB 3ZMS . "Lsd1-corest In Complex With Insm1 Peptide" . . . . . 87.06 509 100.00 100.00 1.03e-42 . . . . 18551 1 3 no GB AAA58680 . "IA-1 [Homo sapiens]" . . . . . 87.06 510 100.00 100.00 1.04e-42 . . . . 18551 1 4 no REF NP_002187 . "insulinoma-associated protein 1 [Homo sapiens]" . . . . . 87.06 510 100.00 100.00 1.04e-42 . . . . 18551 1 5 no REF XP_001091915 . "PREDICTED: insulinoma-associated protein 1-like [Macaca mulatta]" . . . . . 87.06 262 97.30 97.30 1.65e-43 . . . . 18551 1 6 no REF XP_001144246 . "PREDICTED: insulinoma-associated protein 1 [Pan troglodytes]" . . . . . 87.06 510 100.00 100.00 9.40e-43 . . . . 18551 1 7 no REF XP_002830051 . "PREDICTED: insulinoma-associated protein 1 [Pongo abelii]" . . . . . 87.06 509 97.30 97.30 2.04e-41 . . . . 18551 1 8 no REF XP_003732871 . "PREDICTED: insulinoma-associated protein 1, partial [Callithrix jacchus]" . . . . . 78.82 392 98.51 98.51 1.16e-36 . . . . 18551 1 9 no SP Q01101 . "RecName: Full=Insulinoma-associated protein 1; AltName: Full=Zinc finger protein IA-1" . . . . . 87.06 510 100.00 100.00 1.04e-42 . . . . 18551 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18551 1 2 . GLY . 18551 1 3 . HIS . 18551 1 4 . HIS . 18551 1 5 . HIS . 18551 1 6 . HIS . 18551 1 7 . HIS . 18551 1 8 . HIS . 18551 1 9 . SER . 18551 1 10 . HIS . 18551 1 11 . MET . 18551 1 12 . GLY . 18551 1 13 . ASP . 18551 1 14 . GLY . 18551 1 15 . GLU . 18551 1 16 . GLY . 18551 1 17 . ALA . 18551 1 18 . GLY . 18551 1 19 . VAL . 18551 1 20 . LEU . 18551 1 21 . GLY . 18551 1 22 . LEU . 18551 1 23 . SER . 18551 1 24 . ALA . 18551 1 25 . SER . 18551 1 26 . ALA . 18551 1 27 . GLU . 18551 1 28 . CYS . 18551 1 29 . HIS . 18551 1 30 . LEU . 18551 1 31 . CYS . 18551 1 32 . PRO . 18551 1 33 . VAL . 18551 1 34 . CYS . 18551 1 35 . GLY . 18551 1 36 . GLU . 18551 1 37 . SER . 18551 1 38 . PHE . 18551 1 39 . ALA . 18551 1 40 . SER . 18551 1 41 . LYS . 18551 1 42 . GLY . 18551 1 43 . ALA . 18551 1 44 . GLN . 18551 1 45 . GLU . 18551 1 46 . ARG . 18551 1 47 . HIS . 18551 1 48 . LEU . 18551 1 49 . ARG . 18551 1 50 . LEU . 18551 1 51 . LEU . 18551 1 52 . HIS . 18551 1 53 . ALA . 18551 1 54 . ALA . 18551 1 55 . GLN . 18551 1 56 . VAL . 18551 1 57 . PHE . 18551 1 58 . PRO . 18551 1 59 . CYS . 18551 1 60 . LYS . 18551 1 61 . TYR . 18551 1 62 . CYS . 18551 1 63 . PRO . 18551 1 64 . ALA . 18551 1 65 . THR . 18551 1 66 . PHE . 18551 1 67 . TYR . 18551 1 68 . SER . 18551 1 69 . SER . 18551 1 70 . PRO . 18551 1 71 . GLY . 18551 1 72 . LEU . 18551 1 73 . THR . 18551 1 74 . ARG . 18551 1 75 . HIS . 18551 1 76 . ILE . 18551 1 77 . ASN . 18551 1 78 . LYS . 18551 1 79 . CYS . 18551 1 80 . HIS . 18551 1 81 . PRO . 18551 1 82 . SER . 18551 1 83 . GLU . 18551 1 84 . ASN . 18551 1 85 . ARG . 18551 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18551 1 . GLY 2 2 18551 1 . HIS 3 3 18551 1 . HIS 4 4 18551 1 . HIS 5 5 18551 1 . HIS 6 6 18551 1 . HIS 7 7 18551 1 . HIS 8 8 18551 1 . SER 9 9 18551 1 . HIS 10 10 18551 1 . MET 11 11 18551 1 . GLY 12 12 18551 1 . ASP 13 13 18551 1 . GLY 14 14 18551 1 . GLU 15 15 18551 1 . GLY 16 16 18551 1 . ALA 17 17 18551 1 . GLY 18 18 18551 1 . VAL 19 19 18551 1 . LEU 20 20 18551 1 . GLY 21 21 18551 1 . LEU 22 22 18551 1 . SER 23 23 18551 1 . ALA 24 24 18551 1 . SER 25 25 18551 1 . ALA 26 26 18551 1 . GLU 27 27 18551 1 . CYS 28 28 18551 1 . HIS 29 29 18551 1 . LEU 30 30 18551 1 . CYS 31 31 18551 1 . PRO 32 32 18551 1 . VAL 33 33 18551 1 . CYS 34 34 18551 1 . GLY 35 35 18551 1 . GLU 36 36 18551 1 . SER 37 37 18551 1 . PHE 38 38 18551 1 . ALA 39 39 18551 1 . SER 40 40 18551 1 . LYS 41 41 18551 1 . GLY 42 42 18551 1 . ALA 43 43 18551 1 . GLN 44 44 18551 1 . GLU 45 45 18551 1 . ARG 46 46 18551 1 . HIS 47 47 18551 1 . LEU 48 48 18551 1 . ARG 49 49 18551 1 . LEU 50 50 18551 1 . LEU 51 51 18551 1 . HIS 52 52 18551 1 . ALA 53 53 18551 1 . ALA 54 54 18551 1 . GLN 55 55 18551 1 . VAL 56 56 18551 1 . PHE 57 57 18551 1 . PRO 58 58 18551 1 . CYS 59 59 18551 1 . LYS 60 60 18551 1 . TYR 61 61 18551 1 . CYS 62 62 18551 1 . PRO 63 63 18551 1 . ALA 64 64 18551 1 . THR 65 65 18551 1 . PHE 66 66 18551 1 . TYR 67 67 18551 1 . SER 68 68 18551 1 . SER 69 69 18551 1 . PRO 70 70 18551 1 . GLY 71 71 18551 1 . LEU 72 72 18551 1 . THR 73 73 18551 1 . ARG 74 74 18551 1 . HIS 75 75 18551 1 . ILE 76 76 18551 1 . ASN 77 77 18551 1 . LYS 78 78 18551 1 . CYS 79 79 18551 1 . HIS 80 80 18551 1 . PRO 81 81 18551 1 . SER 82 82 18551 1 . GLU 83 83 18551 1 . ASN 84 84 18551 1 . ARG 85 85 18551 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18551 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _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 'ZINC ION' BMRB 18551 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 18551 2 ZN 'Three letter code' 18551 2 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 1 ZN $chem_comp_ZN 18551 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 18551 2 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 18551 _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 $HR7614B . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . INSM1 . 18551 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 18551 _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 $HR7614B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . HR7614B-424-497-15.10] . . . 18551 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 18551 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 18551 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18551 ZN [Zn++] SMILES CACTVS 3.341 18551 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18551 ZN [Zn+2] SMILES ACDLabs 10.04 18551 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18551 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18551 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 18551 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18551 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18551 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_sample _Sample.Entry_ID 18551 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.69 mM HR7614B.021, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 HR7614B.021 '[U-100% 13C; U-100% 15N]' . . 1 $HR7614B . . 0.69 . . mM . . . . 18551 1 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18551 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18551 1 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18551 1 5 'Tris-HCl pH 7.5' 'natural abundance' . . . . . . 10 . . mM . . . . 18551 1 stop_ save_ save_NC5_sample _Sample.Sf_category sample _Sample.Sf_framecode NC5_sample _Sample.Entry_ID 18551 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.25 mM HR7614B.023, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 HR7614B.023 '[U-5% 13C; U-100% 15N]' . . 1 $HR7614B . . 1.25 . . mM . . . . 18551 2 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18551 2 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18551 2 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18551 2 5 'Tris-HCl pH 7.5' 'natural abundance' . . . . . . 10 . . mM . . . . 18551 2 stop_ save_ save_NC_D2O_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_D2O_sample _Sample.Entry_ID 18551 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.69 mM HR7614B.023' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR7614B.023 '[U-5% 13C; U-100% 15N]' . . 1 $HR7614B . . 1.25 . . mM . . . . 18551 3 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18551 3 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18551 3 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18551 3 5 'Tris-HCl pH 7.5' 'natural abundance' . . . . . . 10 . . mM . . . . 18551 3 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 18551 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 18551 1 pressure 1 . atm 18551 1 temperature 298 . K 18551 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18551 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18551 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 18551 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18551 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18551 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 18551 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 18551 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 18551 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 18551 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 18551 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 18551 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 18551 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18551 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18551 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18551 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18551 _Software.ID 6 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18551 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' 18551 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18551 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18551 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18551 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18551 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18551 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18551 8 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 18551 _Software.ID 9 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 18551 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18551 9 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18551 _Software.ID 10 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18551 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18551 10 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18551 _Software.ID 11 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 18551 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18551 11 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18551 _Software.ID 12 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 18551 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18551 12 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18551 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18551 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18551 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 18551 1 2 spectrometer_2 Varian INOVA . 600 . . . 18551 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 18551 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18551 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18551 1 3 '3D HNCO' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18551 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18551 1 5 '3D HNCACB' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18551 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18551 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18551 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18551 1 9 '3D HNCA' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18551 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18551 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18551 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18551 1 13 '3D HNHA' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18551 1 14 '4D CC-NOESY' no . . . . . . . . . . 3 $NC_D2O_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18551 1 15 '2D 1H-13C HSQC_CT aliphatic' no . . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18551 1 16 '2D 1H-13C HSQC_noCT aliphatic' no . . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18551 1 17 '3D (H)CCH-TOCSY' no . . . . . . . . . . 3 $NC_D2O_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18551 1 18 '3D Nnoesy' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18551 1 19 '3D 1H-13C NOESY NUS' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18551 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18551 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18551 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18551 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18551 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18551 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18551 1 2 '2D 1H-13C HSQC' . . . 18551 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 11 11 MET HA H 1 4.44 0.02 . 1 . . . A 11 MET HA . 18551 1 2 . 1 1 11 11 MET HB2 H 1 2.06 0.02 . 2 . . . A 11 MET HB2 . 18551 1 3 . 1 1 11 11 MET HB3 H 1 1.94 0.02 . 2 . . . A 11 MET HB3 . 18551 1 4 . 1 1 11 11 MET HG2 H 1 2.49 0.02 . 2 . . . A 11 MET HG2 . 18551 1 5 . 1 1 11 11 MET HG3 H 1 2.4 0.02 . 2 . . . A 11 MET HG3 . 18551 1 6 . 1 1 11 11 MET C C 13 176.6 0.2 . 1 . . . A 11 MET C . 18551 1 7 . 1 1 11 11 MET CA C 13 55.6 0.2 . 1 . . . A 11 MET CA . 18551 1 8 . 1 1 11 11 MET CB C 13 32.7 0.2 . 1 . . . A 11 MET CB . 18551 1 9 . 1 1 11 11 MET CG C 13 32 0.2 . 1 . . . A 11 MET CG . 18551 1 10 . 1 1 12 12 GLY H H 1 8.34 0.02 . 1 . . . A 12 GLY H . 18551 1 11 . 1 1 12 12 GLY HA2 H 1 3.96 0.02 . 2 . . . A 12 GLY HA2 . 18551 1 12 . 1 1 12 12 GLY HA3 H 1 3.96 0.02 . 2 . . . A 12 GLY HA3 . 18551 1 13 . 1 1 12 12 GLY C C 13 173.9 0.2 . 1 . . . A 12 GLY C . 18551 1 14 . 1 1 12 12 GLY CA C 13 45.3 0.2 . 1 . . . A 12 GLY CA . 18551 1 15 . 1 1 12 12 GLY N N 15 110 0.2 . 1 . . . A 12 GLY N . 18551 1 16 . 1 1 13 13 ASP H H 1 8.29 0.02 . 1 . . . A 13 ASP H . 18551 1 17 . 1 1 13 13 ASP HA H 1 4.64 0.02 . 1 . . . A 13 ASP HA . 18551 1 18 . 1 1 13 13 ASP HB2 H 1 2.69 0.02 . 2 . . . A 13 ASP HB2 . 18551 1 19 . 1 1 13 13 ASP HB3 H 1 2.69 0.02 . 2 . . . A 13 ASP HB3 . 18551 1 20 . 1 1 13 13 ASP C C 13 176.9 0.2 . 1 . . . A 13 ASP C . 18551 1 21 . 1 1 13 13 ASP CA C 13 54.5 0.2 . 1 . . . A 13 ASP CA . 18551 1 22 . 1 1 13 13 ASP CB C 13 41.4 0.2 . 1 . . . A 13 ASP CB . 18551 1 23 . 1 1 13 13 ASP N N 15 120.5 0.2 . 1 . . . A 13 ASP N . 18551 1 24 . 1 1 14 14 GLY H H 1 8.42 0.02 . 1 . . . A 14 GLY H . 18551 1 25 . 1 1 14 14 GLY HA2 H 1 3.95 0.02 . 2 . . . A 14 GLY HA2 . 18551 1 26 . 1 1 14 14 GLY HA3 H 1 3.95 0.02 . 2 . . . A 14 GLY HA3 . 18551 1 27 . 1 1 14 14 GLY C C 13 174.5 0.2 . 1 . . . A 14 GLY C . 18551 1 28 . 1 1 14 14 GLY CA C 13 45.5 0.2 . 1 . . . A 14 GLY CA . 18551 1 29 . 1 1 14 14 GLY N N 15 109.3 0.2 . 1 . . . A 14 GLY N . 18551 1 30 . 1 1 15 15 GLU H H 1 8.34 0.02 . 1 . . . A 15 GLU H . 18551 1 31 . 1 1 15 15 GLU HA H 1 4.28 0.02 . 1 . . . A 15 GLU HA . 18551 1 32 . 1 1 15 15 GLU HB2 H 1 2.07 0.02 . 2 . . . A 15 GLU HB2 . 18551 1 33 . 1 1 15 15 GLU HB3 H 1 1.95 0.02 . 2 . . . A 15 GLU HB3 . 18551 1 34 . 1 1 15 15 GLU HG2 H 1 2.24 0.02 . 2 . . . A 15 GLU HG2 . 18551 1 35 . 1 1 15 15 GLU HG3 H 1 2.24 0.02 . 2 . . . A 15 GLU HG3 . 18551 1 36 . 1 1 15 15 GLU C C 13 177.2 0.2 . 1 . . . A 15 GLU C . 18551 1 37 . 1 1 15 15 GLU CA C 13 56.8 0.2 . 1 . . . A 15 GLU CA . 18551 1 38 . 1 1 15 15 GLU CB C 13 30.1 0.2 . 1 . . . A 15 GLU CB . 18551 1 39 . 1 1 15 15 GLU CG C 13 36.3 0.2 . 1 . . . A 15 GLU CG . 18551 1 40 . 1 1 15 15 GLU N N 15 120.6 0.2 . 1 . . . A 15 GLU N . 18551 1 41 . 1 1 16 16 GLY H H 1 8.48 0.02 . 1 . . . A 16 GLY H . 18551 1 42 . 1 1 16 16 GLY HA2 H 1 3.93 0.02 . 2 . . . A 16 GLY HA2 . 18551 1 43 . 1 1 16 16 GLY HA3 H 1 3.93 0.02 . 2 . . . A 16 GLY HA3 . 18551 1 44 . 1 1 16 16 GLY C C 13 174.1 0.2 . 1 . . . A 16 GLY C . 18551 1 45 . 1 1 16 16 GLY CA C 13 45.5 0.2 . 1 . . . A 16 GLY CA . 18551 1 46 . 1 1 16 16 GLY N N 15 109.9 0.2 . 1 . . . A 16 GLY N . 18551 1 47 . 1 1 17 17 ALA H H 1 8.16 0.02 . 1 . . . A 17 ALA H . 18551 1 48 . 1 1 17 17 ALA HA H 1 4.3 0.02 . 1 . . . A 17 ALA HA . 18551 1 49 . 1 1 17 17 ALA HB1 H 1 1.39 0.02 . 1 . . . A 17 ALA HB1 . 18551 1 50 . 1 1 17 17 ALA HB2 H 1 1.39 0.02 . 1 . . . A 17 ALA HB2 . 18551 1 51 . 1 1 17 17 ALA HB3 H 1 1.39 0.02 . 1 . . . A 17 ALA HB3 . 18551 1 52 . 1 1 17 17 ALA C C 13 178.3 0.2 . 1 . . . A 17 ALA C . 18551 1 53 . 1 1 17 17 ALA CA C 13 52.8 0.2 . 1 . . . A 17 ALA CA . 18551 1 54 . 1 1 17 17 ALA CB C 13 19.3 0.2 . 1 . . . A 17 ALA CB . 18551 1 55 . 1 1 17 17 ALA N N 15 123.5 0.2 . 1 . . . A 17 ALA N . 18551 1 56 . 1 1 18 18 GLY H H 1 8.38 0.02 . 1 . . . A 18 GLY H . 18551 1 57 . 1 1 18 18 GLY HA2 H 1 3.93 0.02 . 2 . . . A 18 GLY HA2 . 18551 1 58 . 1 1 18 18 GLY HA3 H 1 3.93 0.02 . 2 . . . A 18 GLY HA3 . 18551 1 59 . 1 1 18 18 GLY C C 13 174.4 0.2 . 1 . . . A 18 GLY C . 18551 1 60 . 1 1 18 18 GLY CA C 13 45.4 0.2 . 1 . . . A 18 GLY CA . 18551 1 61 . 1 1 18 18 GLY N N 15 108 0.2 . 1 . . . A 18 GLY N . 18551 1 62 . 1 1 19 19 VAL H H 1 7.93 0.02 . 1 . . . A 19 VAL H . 18551 1 63 . 1 1 19 19 VAL HA H 1 4.09 0.02 . 1 . . . A 19 VAL HA . 18551 1 64 . 1 1 19 19 VAL HB H 1 2.09 0.02 . 1 . . . A 19 VAL HB . 18551 1 65 . 1 1 19 19 VAL HG11 H 1 0.91 0.02 . 1 . . . A 19 VAL HG11 . 18551 1 66 . 1 1 19 19 VAL HG12 H 1 0.91 0.02 . 1 . . . A 19 VAL HG12 . 18551 1 67 . 1 1 19 19 VAL HG13 H 1 0.91 0.02 . 1 . . . A 19 VAL HG13 . 18551 1 68 . 1 1 19 19 VAL HG21 H 1 0.9 0.02 . 1 . . . A 19 VAL HG21 . 18551 1 69 . 1 1 19 19 VAL HG22 H 1 0.9 0.02 . 1 . . . A 19 VAL HG22 . 18551 1 70 . 1 1 19 19 VAL HG23 H 1 0.9 0.02 . 1 . . . A 19 VAL HG23 . 18551 1 71 . 1 1 19 19 VAL C C 13 176.4 0.2 . 1 . . . A 19 VAL C . 18551 1 72 . 1 1 19 19 VAL CA C 13 62.5 0.2 . 1 . . . A 19 VAL CA . 18551 1 73 . 1 1 19 19 VAL CB C 13 32.5 0.2 . 1 . . . A 19 VAL CB . 18551 1 74 . 1 1 19 19 VAL CG1 C 13 21.3 0.2 . 1 . . . A 19 VAL CG1 . 18551 1 75 . 1 1 19 19 VAL CG2 C 13 20.6 0.2 . 1 . . . A 19 VAL CG2 . 18551 1 76 . 1 1 19 19 VAL N N 15 119.1 0.2 . 1 . . . A 19 VAL N . 18551 1 77 . 1 1 20 20 LEU H H 1 8.29 0.02 . 1 . . . A 20 LEU H . 18551 1 78 . 1 1 20 20 LEU HA H 1 4.33 0.02 . 1 . . . A 20 LEU HA . 18551 1 79 . 1 1 20 20 LEU HB2 H 1 1.68 0.02 . 2 . . . A 20 LEU HB2 . 18551 1 80 . 1 1 20 20 LEU HB3 H 1 1.58 0.02 . 2 . . . A 20 LEU HB3 . 18551 1 81 . 1 1 20 20 LEU HG H 1 1.62 0.02 . 1 . . . A 20 LEU HG . 18551 1 82 . 1 1 20 20 LEU HD11 H 1 0.9 0.02 . 1 . . . A 20 LEU HD11 . 18551 1 83 . 1 1 20 20 LEU HD12 H 1 0.9 0.02 . 1 . . . A 20 LEU HD12 . 18551 1 84 . 1 1 20 20 LEU HD13 H 1 0.9 0.02 . 1 . . . A 20 LEU HD13 . 18551 1 85 . 1 1 20 20 LEU HD21 H 1 0.85 0.02 . 1 . . . A 20 LEU HD21 . 18551 1 86 . 1 1 20 20 LEU HD22 H 1 0.85 0.02 . 1 . . . A 20 LEU HD22 . 18551 1 87 . 1 1 20 20 LEU HD23 H 1 0.85 0.02 . 1 . . . A 20 LEU HD23 . 18551 1 88 . 1 1 20 20 LEU C C 13 177.9 0.2 . 1 . . . A 20 LEU C . 18551 1 89 . 1 1 20 20 LEU CA C 13 55.4 0.2 . 1 . . . A 20 LEU CA . 18551 1 90 . 1 1 20 20 LEU CB C 13 42.2 0.2 . 1 . . . A 20 LEU CB . 18551 1 91 . 1 1 20 20 LEU CG C 13 27 0.2 . 1 . . . A 20 LEU CG . 18551 1 92 . 1 1 20 20 LEU CD1 C 13 24.9 0.2 . 1 . . . A 20 LEU CD1 . 18551 1 93 . 1 1 20 20 LEU CD2 C 13 23.4 0.2 . 1 . . . A 20 LEU CD2 . 18551 1 94 . 1 1 20 20 LEU N N 15 125.1 0.2 . 1 . . . A 20 LEU N . 18551 1 95 . 1 1 21 21 GLY H H 1 8.3 0.02 . 1 . . . A 21 GLY H . 18551 1 96 . 1 1 21 21 GLY HA2 H 1 3.92 0.02 . 2 . . . A 21 GLY HA2 . 18551 1 97 . 1 1 21 21 GLY HA3 H 1 3.92 0.02 . 2 . . . A 21 GLY HA3 . 18551 1 98 . 1 1 21 21 GLY C C 13 174.2 0.2 . 1 . . . A 21 GLY C . 18551 1 99 . 1 1 21 21 GLY CA C 13 45.4 0.2 . 1 . . . A 21 GLY CA . 18551 1 100 . 1 1 21 21 GLY N N 15 109.3 0.2 . 1 . . . A 21 GLY N . 18551 1 101 . 1 1 22 22 LEU H H 1 8.05 0.02 . 1 . . . A 22 LEU H . 18551 1 102 . 1 1 22 22 LEU HA H 1 4.37 0.02 . 1 . . . A 22 LEU HA . 18551 1 103 . 1 1 22 22 LEU HB2 H 1 1.61 0.02 . 2 . . . A 22 LEU HB2 . 18551 1 104 . 1 1 22 22 LEU HB3 H 1 1.61 0.02 . 2 . . . A 22 LEU HB3 . 18551 1 105 . 1 1 22 22 LEU HG H 1 1.62 0.02 . 1 . . . A 22 LEU HG . 18551 1 106 . 1 1 22 22 LEU HD11 H 1 0.9 0.02 . 1 . . . A 22 LEU HD11 . 18551 1 107 . 1 1 22 22 LEU HD12 H 1 0.9 0.02 . 1 . . . A 22 LEU HD12 . 18551 1 108 . 1 1 22 22 LEU HD13 H 1 0.9 0.02 . 1 . . . A 22 LEU HD13 . 18551 1 109 . 1 1 22 22 LEU HD21 H 1 0.85 0.02 . 1 . . . A 22 LEU HD21 . 18551 1 110 . 1 1 22 22 LEU HD22 H 1 0.85 0.02 . 1 . . . A 22 LEU HD22 . 18551 1 111 . 1 1 22 22 LEU HD23 H 1 0.85 0.02 . 1 . . . A 22 LEU HD23 . 18551 1 112 . 1 1 22 22 LEU C C 13 177.6 0.2 . 1 . . . A 22 LEU C . 18551 1 113 . 1 1 22 22 LEU CA C 13 55.2 0.2 . 1 . . . A 22 LEU CA . 18551 1 114 . 1 1 22 22 LEU CB C 13 42.5 0.2 . 1 . . . A 22 LEU CB . 18551 1 115 . 1 1 22 22 LEU CG C 13 26.9 0.2 . 1 . . . A 22 LEU CG . 18551 1 116 . 1 1 22 22 LEU CD1 C 13 25 0.2 . 1 . . . A 22 LEU CD1 . 18551 1 117 . 1 1 22 22 LEU CD2 C 13 23.4 0.2 . 1 . . . A 22 LEU CD2 . 18551 1 118 . 1 1 22 22 LEU N N 15 121.6 0.2 . 1 . . . A 22 LEU N . 18551 1 119 . 1 1 23 23 SER H H 1 8.32 0.02 . 1 . . . A 23 SER H . 18551 1 120 . 1 1 23 23 SER HA H 1 4.44 0.02 . 1 . . . A 23 SER HA . 18551 1 121 . 1 1 23 23 SER HB2 H 1 3.87 0.02 . 2 . . . A 23 SER HB2 . 18551 1 122 . 1 1 23 23 SER HB3 H 1 3.87 0.02 . 2 . . . A 23 SER HB3 . 18551 1 123 . 1 1 23 23 SER C C 13 174.3 0.2 . 1 . . . A 23 SER C . 18551 1 124 . 1 1 23 23 SER CA C 13 58.3 0.2 . 1 . . . A 23 SER CA . 18551 1 125 . 1 1 23 23 SER CB C 13 63.8 0.2 . 1 . . . A 23 SER CB . 18551 1 126 . 1 1 23 23 SER N N 15 116.5 0.2 . 1 . . . A 23 SER N . 18551 1 127 . 1 1 24 24 ALA H H 1 8.32 0.02 . 1 . . . A 24 ALA H . 18551 1 128 . 1 1 24 24 ALA HA H 1 4.35 0.02 . 1 . . . A 24 ALA HA . 18551 1 129 . 1 1 24 24 ALA HB1 H 1 1.4 0.02 . 1 . . . A 24 ALA HB1 . 18551 1 130 . 1 1 24 24 ALA HB2 H 1 1.4 0.02 . 1 . . . A 24 ALA HB2 . 18551 1 131 . 1 1 24 24 ALA HB3 H 1 1.4 0.02 . 1 . . . A 24 ALA HB3 . 18551 1 132 . 1 1 24 24 ALA C C 13 177.7 0.2 . 1 . . . A 24 ALA C . 18551 1 133 . 1 1 24 24 ALA CA C 13 52.7 0.2 . 1 . . . A 24 ALA CA . 18551 1 134 . 1 1 24 24 ALA CB C 13 19.4 0.2 . 1 . . . A 24 ALA CB . 18551 1 135 . 1 1 24 24 ALA N N 15 126 0.2 . 1 . . . A 24 ALA N . 18551 1 136 . 1 1 25 25 SER H H 1 8.21 0.02 . 1 . . . A 25 SER H . 18551 1 137 . 1 1 25 25 SER HA H 1 4.43 0.02 . 1 . . . A 25 SER HA . 18551 1 138 . 1 1 25 25 SER HB2 H 1 3.87 0.02 . 2 . . . A 25 SER HB2 . 18551 1 139 . 1 1 25 25 SER HB3 H 1 3.87 0.02 . 2 . . . A 25 SER HB3 . 18551 1 140 . 1 1 25 25 SER C C 13 174.2 0.2 . 1 . . . A 25 SER C . 18551 1 141 . 1 1 25 25 SER CA C 13 58.2 0.2 . 1 . . . A 25 SER CA . 18551 1 142 . 1 1 25 25 SER CB C 13 63.9 0.2 . 1 . . . A 25 SER CB . 18551 1 143 . 1 1 25 25 SER N N 15 114.7 0.2 . 1 . . . A 25 SER N . 18551 1 144 . 1 1 26 26 ALA H H 1 8.24 0.02 . 1 . . . A 26 ALA H . 18551 1 145 . 1 1 26 26 ALA HA H 1 4.34 0.02 . 1 . . . A 26 ALA HA . 18551 1 146 . 1 1 26 26 ALA HB1 H 1 1.39 0.02 . 1 . . . A 26 ALA HB1 . 18551 1 147 . 1 1 26 26 ALA HB2 H 1 1.39 0.02 . 1 . . . A 26 ALA HB2 . 18551 1 148 . 1 1 26 26 ALA HB3 H 1 1.39 0.02 . 1 . . . A 26 ALA HB3 . 18551 1 149 . 1 1 26 26 ALA C C 13 177.4 0.2 . 1 . . . A 26 ALA C . 18551 1 150 . 1 1 26 26 ALA CA C 13 52.5 0.2 . 1 . . . A 26 ALA CA . 18551 1 151 . 1 1 26 26 ALA CB C 13 19.4 0.2 . 1 . . . A 26 ALA CB . 18551 1 152 . 1 1 26 26 ALA N N 15 125.9 0.2 . 1 . . . A 26 ALA N . 18551 1 153 . 1 1 27 27 GLU H H 1 8.3 0.02 . 1 . . . A 27 GLU H . 18551 1 154 . 1 1 27 27 GLU HA H 1 4.24 0.02 . 1 . . . A 27 GLU HA . 18551 1 155 . 1 1 27 27 GLU HB2 H 1 1.96 0.02 . 2 . . . A 27 GLU HB2 . 18551 1 156 . 1 1 27 27 GLU HB3 H 1 1.91 0.02 . 2 . . . A 27 GLU HB3 . 18551 1 157 . 1 1 27 27 GLU HG2 H 1 2.17 0.02 . 2 . . . A 27 GLU HG2 . 18551 1 158 . 1 1 27 27 GLU HG3 H 1 2.17 0.02 . 2 . . . A 27 GLU HG3 . 18551 1 159 . 1 1 27 27 GLU C C 13 175.4 0.2 . 1 . . . A 27 GLU C . 18551 1 160 . 1 1 27 27 GLU CA C 13 56.2 0.2 . 1 . . . A 27 GLU CA . 18551 1 161 . 1 1 27 27 GLU CB C 13 30.7 0.2 . 1 . . . A 27 GLU CB . 18551 1 162 . 1 1 27 27 GLU CG C 13 36.3 0.2 . 1 . . . A 27 GLU CG . 18551 1 163 . 1 1 27 27 GLU N N 15 120.1 0.2 . 1 . . . A 27 GLU N . 18551 1 164 . 1 1 28 28 CYS H H 1 7.98 0.02 . 1 . . . A 28 CYS H . 18551 1 165 . 1 1 28 28 CYS HA H 1 4.59 0.02 . 1 . . . A 28 CYS HA . 18551 1 166 . 1 1 28 28 CYS HB2 H 1 2.69 0.02 . 2 . . . A 28 CYS HB2 . 18551 1 167 . 1 1 28 28 CYS HB3 H 1 2.69 0.02 . 2 . . . A 28 CYS HB3 . 18551 1 168 . 1 1 28 28 CYS C C 13 173 0.2 . 1 . . . A 28 CYS C . 18551 1 169 . 1 1 28 28 CYS CA C 13 57.9 0.2 . 1 . . . A 28 CYS CA . 18551 1 170 . 1 1 28 28 CYS CB C 13 28.7 0.2 . 1 . . . A 28 CYS CB . 18551 1 171 . 1 1 28 28 CYS N N 15 119.4 0.2 . 1 . . . A 28 CYS N . 18551 1 172 . 1 1 29 29 HIS H H 1 8.79 0.02 . 1 . . . A 29 HIS H . 18551 1 173 . 1 1 29 29 HIS HA H 1 4.64 0.02 . 1 . . . A 29 HIS HA . 18551 1 174 . 1 1 29 29 HIS HB2 H 1 2.81 0.02 . 2 . . . A 29 HIS HB2 . 18551 1 175 . 1 1 29 29 HIS HB3 H 1 2.75 0.02 . 2 . . . A 29 HIS HB3 . 18551 1 176 . 1 1 29 29 HIS C C 13 174.7 0.2 . 1 . . . A 29 HIS C . 18551 1 177 . 1 1 29 29 HIS CA C 13 55.3 0.2 . 1 . . . A 29 HIS CA . 18551 1 178 . 1 1 29 29 HIS CB C 13 32.4 0.2 . 1 . . . A 29 HIS CB . 18551 1 179 . 1 1 29 29 HIS N N 15 124.5 0.2 . 1 . . . A 29 HIS N . 18551 1 180 . 1 1 30 30 LEU H H 1 8.75 0.02 . 1 . . . A 30 LEU H . 18551 1 181 . 1 1 30 30 LEU HA H 1 5.07 0.02 . 1 . . . A 30 LEU HA . 18551 1 182 . 1 1 30 30 LEU HB2 H 1 1.58 0.02 . 2 . . . A 30 LEU HB2 . 18551 1 183 . 1 1 30 30 LEU HB3 H 1 1.22 0.02 . 2 . . . A 30 LEU HB3 . 18551 1 184 . 1 1 30 30 LEU HG H 1 1.55 0.02 . 1 . . . A 30 LEU HG . 18551 1 185 . 1 1 30 30 LEU HD11 H 1 0.81 0.02 . 1 . . . A 30 LEU HD11 . 18551 1 186 . 1 1 30 30 LEU HD12 H 1 0.81 0.02 . 1 . . . A 30 LEU HD12 . 18551 1 187 . 1 1 30 30 LEU HD13 H 1 0.81 0.02 . 1 . . . A 30 LEU HD13 . 18551 1 188 . 1 1 30 30 LEU HD21 H 1 0.73 0.02 . 1 . . . A 30 LEU HD21 . 18551 1 189 . 1 1 30 30 LEU HD22 H 1 0.73 0.02 . 1 . . . A 30 LEU HD22 . 18551 1 190 . 1 1 30 30 LEU HD23 H 1 0.73 0.02 . 1 . . . A 30 LEU HD23 . 18551 1 191 . 1 1 30 30 LEU C C 13 178.5 0.2 . 1 . . . A 30 LEU C . 18551 1 192 . 1 1 30 30 LEU CA C 13 53.8 0.2 . 1 . . . A 30 LEU CA . 18551 1 193 . 1 1 30 30 LEU CB C 13 43.7 0.2 . 1 . . . A 30 LEU CB . 18551 1 194 . 1 1 30 30 LEU CG C 13 27.4 0.2 . 1 . . . A 30 LEU CG . 18551 1 195 . 1 1 30 30 LEU CD1 C 13 24.9 0.2 . 1 . . . A 30 LEU CD1 . 18551 1 196 . 1 1 30 30 LEU CD2 C 13 23.9 0.2 . 1 . . . A 30 LEU CD2 . 18551 1 197 . 1 1 30 30 LEU N N 15 123.9 0.2 . 1 . . . A 30 LEU N . 18551 1 198 . 1 1 31 31 CYS H H 1 9.59 0.02 . 1 . . . A 31 CYS H . 18551 1 199 . 1 1 31 31 CYS HA H 1 4.81 0.02 . 1 . . . A 31 CYS HA . 18551 1 200 . 1 1 31 31 CYS HB2 H 1 3.4 0.02 . 2 . . . A 31 CYS HB2 . 18551 1 201 . 1 1 31 31 CYS HB3 H 1 2.99 0.02 . 2 . . . A 31 CYS HB3 . 18551 1 202 . 1 1 31 31 CYS CA C 13 57.1 0.2 . 1 . . . A 31 CYS CA . 18551 1 203 . 1 1 31 31 CYS CB C 13 30.3 0.2 . 1 . . . A 31 CYS CB . 18551 1 204 . 1 1 31 31 CYS N N 15 126.7 0.2 . 1 . . . A 31 CYS N . 18551 1 205 . 1 1 32 32 PRO HA H 1 4.46 0.02 . 1 . . . A 32 PRO HA . 18551 1 206 . 1 1 32 32 PRO HB2 H 1 2.27 0.02 . 2 . . . A 32 PRO HB2 . 18551 1 207 . 1 1 32 32 PRO HB3 H 1 1.9 0.02 . 2 . . . A 32 PRO HB3 . 18551 1 208 . 1 1 32 32 PRO HG2 H 1 2.01 0.02 . 2 . . . A 32 PRO HG2 . 18551 1 209 . 1 1 32 32 PRO HG3 H 1 1.75 0.02 . 2 . . . A 32 PRO HG3 . 18551 1 210 . 1 1 32 32 PRO HD2 H 1 4.23 0.02 . 2 . . . A 32 PRO HD2 . 18551 1 211 . 1 1 32 32 PRO HD3 H 1 4 0.02 . 2 . . . A 32 PRO HD3 . 18551 1 212 . 1 1 32 32 PRO C C 13 176 0.2 . 1 . . . A 32 PRO C . 18551 1 213 . 1 1 32 32 PRO CA C 13 64 0.2 . 1 . . . A 32 PRO CA . 18551 1 214 . 1 1 32 32 PRO CB C 13 32.2 0.2 . 1 . . . A 32 PRO CB . 18551 1 215 . 1 1 32 32 PRO CG C 13 26.8 0.2 . 1 . . . A 32 PRO CG . 18551 1 216 . 1 1 32 32 PRO CD C 13 51.5 0.2 . 1 . . . A 32 PRO CD . 18551 1 217 . 1 1 33 33 VAL H H 1 8.82 0.02 . 1 . . . A 33 VAL H . 18551 1 218 . 1 1 33 33 VAL HA H 1 3.81 0.02 . 1 . . . A 33 VAL HA . 18551 1 219 . 1 1 33 33 VAL HB H 1 0.88 0.02 . 1 . . . A 33 VAL HB . 18551 1 220 . 1 1 33 33 VAL HG11 H 1 0.45 0.02 . 1 . . . A 33 VAL HG11 . 18551 1 221 . 1 1 33 33 VAL HG12 H 1 0.45 0.02 . 1 . . . A 33 VAL HG12 . 18551 1 222 . 1 1 33 33 VAL HG13 H 1 0.45 0.02 . 1 . . . A 33 VAL HG13 . 18551 1 223 . 1 1 33 33 VAL HG21 H 1 0.59 0.02 . 1 . . . A 33 VAL HG21 . 18551 1 224 . 1 1 33 33 VAL HG22 H 1 0.59 0.02 . 1 . . . A 33 VAL HG22 . 18551 1 225 . 1 1 33 33 VAL HG23 H 1 0.59 0.02 . 1 . . . A 33 VAL HG23 . 18551 1 226 . 1 1 33 33 VAL C C 13 176.7 0.2 . 1 . . . A 33 VAL C . 18551 1 227 . 1 1 33 33 VAL CA C 13 64.8 0.2 . 1 . . . A 33 VAL CA . 18551 1 228 . 1 1 33 33 VAL CB C 13 32.7 0.2 . 1 . . . A 33 VAL CB . 18551 1 229 . 1 1 33 33 VAL CG1 C 13 21 0.2 . 1 . . . A 33 VAL CG1 . 18551 1 230 . 1 1 33 33 VAL CG2 C 13 21.4 0.2 . 1 . . . A 33 VAL CG2 . 18551 1 231 . 1 1 33 33 VAL N N 15 122 0.2 . 1 . . . A 33 VAL N . 18551 1 232 . 1 1 34 34 CYS H H 1 8.46 0.02 . 1 . . . A 34 CYS H . 18551 1 233 . 1 1 34 34 CYS HA H 1 5.17 0.02 . 1 . . . A 34 CYS HA . 18551 1 234 . 1 1 34 34 CYS HB2 H 1 3.54 0.02 . 2 . . . A 34 CYS HB2 . 18551 1 235 . 1 1 34 34 CYS HB3 H 1 2.89 0.02 . 2 . . . A 34 CYS HB3 . 18551 1 236 . 1 1 34 34 CYS C C 13 176.8 0.2 . 1 . . . A 34 CYS C . 18551 1 237 . 1 1 34 34 CYS CA C 13 58.5 0.2 . 1 . . . A 34 CYS CA . 18551 1 238 . 1 1 34 34 CYS CB C 13 32.7 0.2 . 1 . . . A 34 CYS CB . 18551 1 239 . 1 1 34 34 CYS N N 15 117.1 0.2 . 1 . . . A 34 CYS N . 18551 1 240 . 1 1 35 35 GLY H H 1 7.97 0.02 . 1 . . . A 35 GLY H . 18551 1 241 . 1 1 35 35 GLY HA2 H 1 4.2 0.02 . 2 . . . A 35 GLY HA2 . 18551 1 242 . 1 1 35 35 GLY HA3 H 1 3.8 0.02 . 2 . . . A 35 GLY HA3 . 18551 1 243 . 1 1 35 35 GLY C C 13 173.2 0.2 . 1 . . . A 35 GLY C . 18551 1 244 . 1 1 35 35 GLY CA C 13 46.4 0.2 . 1 . . . A 35 GLY CA . 18551 1 245 . 1 1 35 35 GLY N N 15 112.5 0.2 . 1 . . . A 35 GLY N . 18551 1 246 . 1 1 36 36 GLU H H 1 7.91 0.02 . 1 . . . A 36 GLU H . 18551 1 247 . 1 1 36 36 GLU HA H 1 3.99 0.02 . 1 . . . A 36 GLU HA . 18551 1 248 . 1 1 36 36 GLU HB2 H 1 1.86 0.02 . 2 . . . A 36 GLU HB2 . 18551 1 249 . 1 1 36 36 GLU HB3 H 1 1.42 0.02 . 2 . . . A 36 GLU HB3 . 18551 1 250 . 1 1 36 36 GLU HG2 H 1 2.17 0.02 . 2 . . . A 36 GLU HG2 . 18551 1 251 . 1 1 36 36 GLU HG3 H 1 1.85 0.02 . 2 . . . A 36 GLU HG3 . 18551 1 252 . 1 1 36 36 GLU C C 13 173.8 0.2 . 1 . . . A 36 GLU C . 18551 1 253 . 1 1 36 36 GLU CA C 13 57.9 0.2 . 1 . . . A 36 GLU CA . 18551 1 254 . 1 1 36 36 GLU CB C 13 30.5 0.2 . 1 . . . A 36 GLU CB . 18551 1 255 . 1 1 36 36 GLU CG C 13 36.8 0.2 . 1 . . . A 36 GLU CG . 18551 1 256 . 1 1 36 36 GLU N N 15 122.5 0.2 . 1 . . . A 36 GLU N . 18551 1 257 . 1 1 37 37 SER H H 1 7.99 0.02 . 1 . . . A 37 SER H . 18551 1 258 . 1 1 37 37 SER HA H 1 4.82 0.02 . 1 . . . A 37 SER HA . 18551 1 259 . 1 1 37 37 SER HB2 H 1 3.54 0.02 . 2 . . . A 37 SER HB2 . 18551 1 260 . 1 1 37 37 SER HB3 H 1 3.54 0.02 . 2 . . . A 37 SER HB3 . 18551 1 261 . 1 1 37 37 SER C C 13 173.3 0.2 . 1 . . . A 37 SER C . 18551 1 262 . 1 1 37 37 SER CA C 13 57.2 0.2 . 1 . . . A 37 SER CA . 18551 1 263 . 1 1 37 37 SER CB C 13 65.3 0.2 . 1 . . . A 37 SER CB . 18551 1 264 . 1 1 37 37 SER N N 15 116.3 0.2 . 1 . . . A 37 SER N . 18551 1 265 . 1 1 38 38 PHE H H 1 8.4 0.02 . 1 . . . A 38 PHE H . 18551 1 266 . 1 1 38 38 PHE HA H 1 4.65 0.02 . 1 . . . A 38 PHE HA . 18551 1 267 . 1 1 38 38 PHE HB2 H 1 3.28 0.02 . 2 . . . A 38 PHE HB2 . 18551 1 268 . 1 1 38 38 PHE HB3 H 1 2.88 0.02 . 2 . . . A 38 PHE HB3 . 18551 1 269 . 1 1 38 38 PHE HD1 H 1 7.21 0.02 . 3 . . . A 38 PHE HD1 . 18551 1 270 . 1 1 38 38 PHE HD2 H 1 7.21 0.02 . 3 . . . A 38 PHE HD2 . 18551 1 271 . 1 1 38 38 PHE HE1 H 1 6.8 0.02 . 3 . . . A 38 PHE HE1 . 18551 1 272 . 1 1 38 38 PHE HE2 H 1 6.8 0.02 . 3 . . . A 38 PHE HE2 . 18551 1 273 . 1 1 38 38 PHE HZ H 1 5.82 0.02 . 1 . . . A 38 PHE HZ . 18551 1 274 . 1 1 38 38 PHE CA C 13 57.4 0.2 . 1 . . . A 38 PHE CA . 18551 1 275 . 1 1 38 38 PHE CB C 13 44 0.2 . 1 . . . A 38 PHE CB . 18551 1 276 . 1 1 38 38 PHE CD1 C 13 131.9 0.2 . 3 . . . A 38 PHE CD1 . 18551 1 277 . 1 1 38 38 PHE CD2 C 13 131.9 0.2 . 3 . . . A 38 PHE CD2 . 18551 1 278 . 1 1 38 38 PHE CE1 C 13 130.8 0.2 . 3 . . . A 38 PHE CE1 . 18551 1 279 . 1 1 38 38 PHE CE2 C 13 130.8 0.2 . 3 . . . A 38 PHE CE2 . 18551 1 280 . 1 1 38 38 PHE CZ C 13 128.5 0.2 . 1 . . . A 38 PHE CZ . 18551 1 281 . 1 1 38 38 PHE N N 15 120 0.2 . 1 . . . A 38 PHE N . 18551 1 282 . 1 1 39 39 ALA HA H 1 4.59 0.02 . 1 . . . A 39 ALA HA . 18551 1 283 . 1 1 39 39 ALA HB1 H 1 1.53 0.02 . 1 . . . A 39 ALA HB1 . 18551 1 284 . 1 1 39 39 ALA HB2 H 1 1.53 0.02 . 1 . . . A 39 ALA HB2 . 18551 1 285 . 1 1 39 39 ALA HB3 H 1 1.53 0.02 . 1 . . . A 39 ALA HB3 . 18551 1 286 . 1 1 39 39 ALA C C 13 176.7 0.2 . 1 . . . A 39 ALA C . 18551 1 287 . 1 1 39 39 ALA CA C 13 52.7 0.2 . 1 . . . A 39 ALA CA . 18551 1 288 . 1 1 39 39 ALA CB C 13 19.4 0.2 . 1 . . . A 39 ALA CB . 18551 1 289 . 1 1 40 40 SER H H 1 7.4 0.02 . 1 . . . A 40 SER H . 18551 1 290 . 1 1 40 40 SER HA H 1 4.56 0.02 . 1 . . . A 40 SER HA . 18551 1 291 . 1 1 40 40 SER HB2 H 1 4.07 0.02 . 2 . . . A 40 SER HB2 . 18551 1 292 . 1 1 40 40 SER HB3 H 1 3.92 0.02 . 2 . . . A 40 SER HB3 . 18551 1 293 . 1 1 40 40 SER C C 13 173.4 0.2 . 1 . . . A 40 SER C . 18551 1 294 . 1 1 40 40 SER CA C 13 56.1 0.2 . 1 . . . A 40 SER CA . 18551 1 295 . 1 1 40 40 SER CB C 13 66.4 0.2 . 1 . . . A 40 SER CB . 18551 1 296 . 1 1 40 40 SER N N 15 107.5 0.2 . 1 . . . A 40 SER N . 18551 1 297 . 1 1 41 41 LYS H H 1 8.73 0.02 . 1 . . . A 41 LYS H . 18551 1 298 . 1 1 41 41 LYS HA H 1 3.44 0.02 . 1 . . . A 41 LYS HA . 18551 1 299 . 1 1 41 41 LYS HB2 H 1 1.64 0.02 . 2 . . . A 41 LYS HB2 . 18551 1 300 . 1 1 41 41 LYS HB3 H 1 1.35 0.02 . 2 . . . A 41 LYS HB3 . 18551 1 301 . 1 1 41 41 LYS HG2 H 1 1.25 0.02 . 2 . . . A 41 LYS HG2 . 18551 1 302 . 1 1 41 41 LYS HG3 H 1 1.25 0.02 . 2 . . . A 41 LYS HG3 . 18551 1 303 . 1 1 41 41 LYS HD2 H 1 1.68 0.02 . 2 . . . A 41 LYS HD2 . 18551 1 304 . 1 1 41 41 LYS HD3 H 1 1.54 0.02 . 2 . . . A 41 LYS HD3 . 18551 1 305 . 1 1 41 41 LYS HE2 H 1 2.99 0.02 . 2 . . . A 41 LYS HE2 . 18551 1 306 . 1 1 41 41 LYS HE3 H 1 2.99 0.02 . 2 . . . A 41 LYS HE3 . 18551 1 307 . 1 1 41 41 LYS C C 13 178.6 0.2 . 1 . . . A 41 LYS C . 18551 1 308 . 1 1 41 41 LYS CA C 13 58.2 0.2 . 1 . . . A 41 LYS CA . 18551 1 309 . 1 1 41 41 LYS CB C 13 32.1 0.2 . 1 . . . A 41 LYS CB . 18551 1 310 . 1 1 41 41 LYS CG C 13 24.3 0.2 . 1 . . . A 41 LYS CG . 18551 1 311 . 1 1 41 41 LYS CD C 13 28.7 0.2 . 1 . . . A 41 LYS CD . 18551 1 312 . 1 1 41 41 LYS CE C 13 42.4 0.2 . 1 . . . A 41 LYS CE . 18551 1 313 . 1 1 41 41 LYS N N 15 124.4 0.2 . 1 . . . A 41 LYS N . 18551 1 314 . 1 1 42 42 GLY H H 1 8.6 0.02 . 1 . . . A 42 GLY H . 18551 1 315 . 1 1 42 42 GLY HA2 H 1 3.79 0.02 . 2 . . . A 42 GLY HA2 . 18551 1 316 . 1 1 42 42 GLY HA3 H 1 3.79 0.02 . 2 . . . A 42 GLY HA3 . 18551 1 317 . 1 1 42 42 GLY C C 13 176.7 0.2 . 1 . . . A 42 GLY C . 18551 1 318 . 1 1 42 42 GLY CA C 13 46.9 0.2 . 1 . . . A 42 GLY CA . 18551 1 319 . 1 1 42 42 GLY N N 15 105.9 0.2 . 1 . . . A 42 GLY N . 18551 1 320 . 1 1 43 43 ALA H H 1 7.62 0.02 . 1 . . . A 43 ALA H . 18551 1 321 . 1 1 43 43 ALA HA H 1 4.05 0.02 . 1 . . . A 43 ALA HA . 18551 1 322 . 1 1 43 43 ALA HB1 H 1 1.57 0.02 . 1 . . . A 43 ALA HB1 . 18551 1 323 . 1 1 43 43 ALA HB2 H 1 1.57 0.02 . 1 . . . A 43 ALA HB2 . 18551 1 324 . 1 1 43 43 ALA HB3 H 1 1.57 0.02 . 1 . . . A 43 ALA HB3 . 18551 1 325 . 1 1 43 43 ALA C C 13 179.7 0.2 . 1 . . . A 43 ALA C . 18551 1 326 . 1 1 43 43 ALA CA C 13 54.7 0.2 . 1 . . . A 43 ALA CA . 18551 1 327 . 1 1 43 43 ALA CB C 13 18.8 0.2 . 1 . . . A 43 ALA CB . 18551 1 328 . 1 1 43 43 ALA N N 15 123.5 0.2 . 1 . . . A 43 ALA N . 18551 1 329 . 1 1 44 44 GLN H H 1 7.31 0.02 . 1 . . . A 44 GLN H . 18551 1 330 . 1 1 44 44 GLN HA H 1 2.6 0.02 . 1 . . . A 44 GLN HA . 18551 1 331 . 1 1 44 44 GLN HB2 H 1 2.59 0.02 . 2 . . . A 44 GLN HB2 . 18551 1 332 . 1 1 44 44 GLN HB3 H 1 1.76 0.02 . 2 . . . A 44 GLN HB3 . 18551 1 333 . 1 1 44 44 GLN HG2 H 1 2.11 0.02 . 2 . . . A 44 GLN HG2 . 18551 1 334 . 1 1 44 44 GLN HG3 H 1 1.92 0.02 . 2 . . . A 44 GLN HG3 . 18551 1 335 . 1 1 44 44 GLN HE21 H 1 7.11 0.02 . 1 . . . A 44 GLN HE21 . 18551 1 336 . 1 1 44 44 GLN HE22 H 1 6.88 0.02 . 1 . . . A 44 GLN HE22 . 18551 1 337 . 1 1 44 44 GLN C C 13 177.5 0.2 . 1 . . . A 44 GLN C . 18551 1 338 . 1 1 44 44 GLN CA C 13 59.4 0.2 . 1 . . . A 44 GLN CA . 18551 1 339 . 1 1 44 44 GLN CB C 13 27.6 0.2 . 1 . . . A 44 GLN CB . 18551 1 340 . 1 1 44 44 GLN CG C 13 32 0.2 . 1 . . . A 44 GLN CG . 18551 1 341 . 1 1 44 44 GLN N N 15 121.8 0.2 . 1 . . . A 44 GLN N . 18551 1 342 . 1 1 44 44 GLN NE2 N 15 108.6 0.2 . 1 . . . A 44 GLN NE2 . 18551 1 343 . 1 1 45 45 GLU H H 1 8.59 0.02 . 1 . . . A 45 GLU H . 18551 1 344 . 1 1 45 45 GLU HA H 1 3.77 0.02 . 1 . . . A 45 GLU HA . 18551 1 345 . 1 1 45 45 GLU HB2 H 1 2.08 0.02 . 2 . . . A 45 GLU HB2 . 18551 1 346 . 1 1 45 45 GLU HB3 H 1 1.93 0.02 . 2 . . . A 45 GLU HB3 . 18551 1 347 . 1 1 45 45 GLU HG2 H 1 2.52 0.02 . 2 . . . A 45 GLU HG2 . 18551 1 348 . 1 1 45 45 GLU HG3 H 1 2.1 0.02 . 2 . . . A 45 GLU HG3 . 18551 1 349 . 1 1 45 45 GLU C C 13 179 0.2 . 1 . . . A 45 GLU C . 18551 1 350 . 1 1 45 45 GLU CA C 13 59.9 0.2 . 1 . . . A 45 GLU CA . 18551 1 351 . 1 1 45 45 GLU CB C 13 29.4 0.2 . 1 . . . A 45 GLU CB . 18551 1 352 . 1 1 45 45 GLU CG C 13 37.1 0.2 . 1 . . . A 45 GLU CG . 18551 1 353 . 1 1 45 45 GLU N N 15 120.2 0.2 . 1 . . . A 45 GLU N . 18551 1 354 . 1 1 46 46 ARG H H 1 7.93 0.02 . 1 . . . A 46 ARG H . 18551 1 355 . 1 1 46 46 ARG HA H 1 3.9 0.02 . 1 . . . A 46 ARG HA . 18551 1 356 . 1 1 46 46 ARG HB2 H 1 1.82 0.02 . 2 . . . A 46 ARG HB2 . 18551 1 357 . 1 1 46 46 ARG HB3 H 1 1.74 0.02 . 2 . . . A 46 ARG HB3 . 18551 1 358 . 1 1 46 46 ARG HG2 H 1 1.74 0.02 . 2 . . . A 46 ARG HG2 . 18551 1 359 . 1 1 46 46 ARG HG3 H 1 1.55 0.02 . 2 . . . A 46 ARG HG3 . 18551 1 360 . 1 1 46 46 ARG HD2 H 1 3.21 0.02 . 2 . . . A 46 ARG HD2 . 18551 1 361 . 1 1 46 46 ARG HD3 H 1 3.15 0.02 . 2 . . . A 46 ARG HD3 . 18551 1 362 . 1 1 46 46 ARG C C 13 177.8 0.2 . 1 . . . A 46 ARG C . 18551 1 363 . 1 1 46 46 ARG CA C 13 59.6 0.2 . 1 . . . A 46 ARG CA . 18551 1 364 . 1 1 46 46 ARG CB C 13 30.1 0.2 . 1 . . . A 46 ARG CB . 18551 1 365 . 1 1 46 46 ARG CG C 13 27.9 0.2 . 1 . . . A 46 ARG CG . 18551 1 366 . 1 1 46 46 ARG CD C 13 43.4 0.2 . 1 . . . A 46 ARG CD . 18551 1 367 . 1 1 46 46 ARG N N 15 119.9 0.2 . 1 . . . A 46 ARG N . 18551 1 368 . 1 1 47 47 HIS H H 1 7.39 0.02 . 1 . . . A 47 HIS H . 18551 1 369 . 1 1 47 47 HIS HA H 1 4.14 0.02 . 1 . . . A 47 HIS HA . 18551 1 370 . 1 1 47 47 HIS HB2 H 1 2.98 0.02 . 2 . . . A 47 HIS HB2 . 18551 1 371 . 1 1 47 47 HIS HB3 H 1 2.76 0.02 . 2 . . . A 47 HIS HB3 . 18551 1 372 . 1 1 47 47 HIS HD2 H 1 7.14 0.02 . 1 . . . A 47 HIS HD2 . 18551 1 373 . 1 1 47 47 HIS HE1 H 1 8.04 0.02 . 1 . . . A 47 HIS HE1 . 18551 1 374 . 1 1 47 47 HIS C C 13 176.3 0.2 . 1 . . . A 47 HIS C . 18551 1 375 . 1 1 47 47 HIS CA C 13 59.6 0.2 . 1 . . . A 47 HIS CA . 18551 1 376 . 1 1 47 47 HIS CB C 13 27.9 0.2 . 1 . . . A 47 HIS CB . 18551 1 377 . 1 1 47 47 HIS CD2 C 13 127.6 0.2 . 1 . . . A 47 HIS CD2 . 18551 1 378 . 1 1 47 47 HIS CE1 C 13 139.7 0.2 . 1 . . . A 47 HIS CE1 . 18551 1 379 . 1 1 47 47 HIS N N 15 118.2 0.2 . 1 . . . A 47 HIS N . 18551 1 380 . 1 1 47 47 HIS ND1 N 15 174.5 0.2 . 1 . . . A 47 HIS ND1 . 18551 1 381 . 1 1 47 47 HIS NE2 N 15 214.2 0.2 . 1 . . . A 47 HIS NE2 . 18551 1 382 . 1 1 48 48 LEU H H 1 8.23 0.02 . 1 . . . A 48 LEU H . 18551 1 383 . 1 1 48 48 LEU HA H 1 3.81 0.02 . 1 . . . A 48 LEU HA . 18551 1 384 . 1 1 48 48 LEU HB2 H 1 1.92 0.02 . 2 . . . A 48 LEU HB2 . 18551 1 385 . 1 1 48 48 LEU HB3 H 1 1.62 0.02 . 2 . . . A 48 LEU HB3 . 18551 1 386 . 1 1 48 48 LEU HG H 1 1.82 0.02 . 1 . . . A 48 LEU HG . 18551 1 387 . 1 1 48 48 LEU HD11 H 1 0.93 0.02 . 1 . . . A 48 LEU HD11 . 18551 1 388 . 1 1 48 48 LEU HD12 H 1 0.93 0.02 . 1 . . . A 48 LEU HD12 . 18551 1 389 . 1 1 48 48 LEU HD13 H 1 0.93 0.02 . 1 . . . A 48 LEU HD13 . 18551 1 390 . 1 1 48 48 LEU HD21 H 1 1.02 0.02 . 1 . . . A 48 LEU HD21 . 18551 1 391 . 1 1 48 48 LEU HD22 H 1 1.02 0.02 . 1 . . . A 48 LEU HD22 . 18551 1 392 . 1 1 48 48 LEU HD23 H 1 1.02 0.02 . 1 . . . A 48 LEU HD23 . 18551 1 393 . 1 1 48 48 LEU C C 13 178.5 0.2 . 1 . . . A 48 LEU C . 18551 1 394 . 1 1 48 48 LEU CA C 13 59.2 0.2 . 1 . . . A 48 LEU CA . 18551 1 395 . 1 1 48 48 LEU CB C 13 42.7 0.2 . 1 . . . A 48 LEU CB . 18551 1 396 . 1 1 48 48 LEU CG C 13 27.7 0.2 . 1 . . . A 48 LEU CG . 18551 1 397 . 1 1 48 48 LEU CD1 C 13 25.6 0.2 . 1 . . . A 48 LEU CD1 . 18551 1 398 . 1 1 48 48 LEU CD2 C 13 25.7 0.2 . 1 . . . A 48 LEU CD2 . 18551 1 399 . 1 1 48 48 LEU N N 15 120 0.2 . 1 . . . A 48 LEU N . 18551 1 400 . 1 1 49 49 ARG H H 1 7.63 0.02 . 1 . . . A 49 ARG H . 18551 1 401 . 1 1 49 49 ARG HA H 1 3.9 0.02 . 1 . . . A 49 ARG HA . 18551 1 402 . 1 1 49 49 ARG HB2 H 1 1.83 0.02 . 2 . . . A 49 ARG HB2 . 18551 1 403 . 1 1 49 49 ARG HB3 H 1 1.83 0.02 . 2 . . . A 49 ARG HB3 . 18551 1 404 . 1 1 49 49 ARG HG2 H 1 1.55 0.02 . 2 . . . A 49 ARG HG2 . 18551 1 405 . 1 1 49 49 ARG HG3 H 1 1.55 0.02 . 2 . . . A 49 ARG HG3 . 18551 1 406 . 1 1 49 49 ARG HD2 H 1 3.17 0.02 . 2 . . . A 49 ARG HD2 . 18551 1 407 . 1 1 49 49 ARG HD3 H 1 3.17 0.02 . 2 . . . A 49 ARG HD3 . 18551 1 408 . 1 1 49 49 ARG C C 13 177.6 0.2 . 1 . . . A 49 ARG C . 18551 1 409 . 1 1 49 49 ARG CA C 13 58.7 0.2 . 1 . . . A 49 ARG CA . 18551 1 410 . 1 1 49 49 ARG CB C 13 30.5 0.2 . 1 . . . A 49 ARG CB . 18551 1 411 . 1 1 49 49 ARG CG C 13 27.9 0.2 . 1 . . . A 49 ARG CG . 18551 1 412 . 1 1 49 49 ARG CD C 13 43.4 0.2 . 1 . . . A 49 ARG CD . 18551 1 413 . 1 1 49 49 ARG N N 15 115.4 0.2 . 1 . . . A 49 ARG N . 18551 1 414 . 1 1 50 50 LEU H H 1 7.86 0.02 . 1 . . . A 50 LEU H . 18551 1 415 . 1 1 50 50 LEU HA H 1 4.2 0.02 . 1 . . . A 50 LEU HA . 18551 1 416 . 1 1 50 50 LEU HB2 H 1 1.64 0.02 . 2 . . . A 50 LEU HB2 . 18551 1 417 . 1 1 50 50 LEU HB3 H 1 1.46 0.02 . 2 . . . A 50 LEU HB3 . 18551 1 418 . 1 1 50 50 LEU HG H 1 1.61 0.02 . 1 . . . A 50 LEU HG . 18551 1 419 . 1 1 50 50 LEU HD11 H 1 0.83 0.02 . 1 . . . A 50 LEU HD11 . 18551 1 420 . 1 1 50 50 LEU HD12 H 1 0.83 0.02 . 1 . . . A 50 LEU HD12 . 18551 1 421 . 1 1 50 50 LEU HD13 H 1 0.83 0.02 . 1 . . . A 50 LEU HD13 . 18551 1 422 . 1 1 50 50 LEU HD21 H 1 0.82 0.02 . 1 . . . A 50 LEU HD21 . 18551 1 423 . 1 1 50 50 LEU HD22 H 1 0.82 0.02 . 1 . . . A 50 LEU HD22 . 18551 1 424 . 1 1 50 50 LEU HD23 H 1 0.82 0.02 . 1 . . . A 50 LEU HD23 . 18551 1 425 . 1 1 50 50 LEU C C 13 179 0.2 . 1 . . . A 50 LEU C . 18551 1 426 . 1 1 50 50 LEU CA C 13 56.8 0.2 . 1 . . . A 50 LEU CA . 18551 1 427 . 1 1 50 50 LEU CB C 13 42.7 0.2 . 1 . . . A 50 LEU CB . 18551 1 428 . 1 1 50 50 LEU CG C 13 27 0.2 . 1 . . . A 50 LEU CG . 18551 1 429 . 1 1 50 50 LEU CD1 C 13 24.3 0.2 . 1 . . . A 50 LEU CD1 . 18551 1 430 . 1 1 50 50 LEU CD2 C 13 23.6 0.2 . 1 . . . A 50 LEU CD2 . 18551 1 431 . 1 1 50 50 LEU N N 15 117.2 0.2 . 1 . . . A 50 LEU N . 18551 1 432 . 1 1 51 51 LEU H H 1 8.18 0.02 . 1 . . . A 51 LEU H . 18551 1 433 . 1 1 51 51 LEU HA H 1 4.27 0.02 . 1 . . . A 51 LEU HA . 18551 1 434 . 1 1 51 51 LEU HB2 H 1 0.63 0.02 . 2 . . . A 51 LEU HB2 . 18551 1 435 . 1 1 51 51 LEU HB3 H 1 0.58 0.02 . 2 . . . A 51 LEU HB3 . 18551 1 436 . 1 1 51 51 LEU HG H 1 1.43 0.02 . 1 . . . A 51 LEU HG . 18551 1 437 . 1 1 51 51 LEU HD11 H 1 0.78 0.02 . 1 . . . A 51 LEU HD11 . 18551 1 438 . 1 1 51 51 LEU HD12 H 1 0.78 0.02 . 1 . . . A 51 LEU HD12 . 18551 1 439 . 1 1 51 51 LEU HD13 H 1 0.78 0.02 . 1 . . . A 51 LEU HD13 . 18551 1 440 . 1 1 51 51 LEU HD21 H 1 0.75 0.02 . 1 . . . A 51 LEU HD21 . 18551 1 441 . 1 1 51 51 LEU HD22 H 1 0.75 0.02 . 1 . . . A 51 LEU HD22 . 18551 1 442 . 1 1 51 51 LEU HD23 H 1 0.75 0.02 . 1 . . . A 51 LEU HD23 . 18551 1 443 . 1 1 51 51 LEU C C 13 178.1 0.2 . 1 . . . A 51 LEU C . 18551 1 444 . 1 1 51 51 LEU CA C 13 55 0.2 . 1 . . . A 51 LEU CA . 18551 1 445 . 1 1 51 51 LEU CB C 13 41.2 0.2 . 1 . . . A 51 LEU CB . 18551 1 446 . 1 1 51 51 LEU CG C 13 28.1 0.2 . 1 . . . A 51 LEU CG . 18551 1 447 . 1 1 51 51 LEU CD1 C 13 24.3 0.2 . 1 . . . A 51 LEU CD1 . 18551 1 448 . 1 1 51 51 LEU CD2 C 13 23.6 0.2 . 1 . . . A 51 LEU CD2 . 18551 1 449 . 1 1 51 51 LEU N N 15 117.8 0.2 . 1 . . . A 51 LEU N . 18551 1 450 . 1 1 52 52 HIS H H 1 7.16 0.02 . 1 . . . A 52 HIS H . 18551 1 451 . 1 1 52 52 HIS HA H 1 5.36 0.02 . 1 . . . A 52 HIS HA . 18551 1 452 . 1 1 52 52 HIS HB2 H 1 3.39 0.02 . 2 . . . A 52 HIS HB2 . 18551 1 453 . 1 1 52 52 HIS HB3 H 1 3.28 0.02 . 2 . . . A 52 HIS HB3 . 18551 1 454 . 1 1 52 52 HIS HD2 H 1 6.78 0.02 . 1 . . . A 52 HIS HD2 . 18551 1 455 . 1 1 52 52 HIS HE1 H 1 8.09 0.02 . 1 . . . A 52 HIS HE1 . 18551 1 456 . 1 1 52 52 HIS C C 13 175 0.2 . 1 . . . A 52 HIS C . 18551 1 457 . 1 1 52 52 HIS CA C 13 52.8 0.2 . 1 . . . A 52 HIS CA . 18551 1 458 . 1 1 52 52 HIS CB C 13 28.9 0.2 . 1 . . . A 52 HIS CB . 18551 1 459 . 1 1 52 52 HIS CD2 C 13 128.5 0.2 . 1 . . . A 52 HIS CD2 . 18551 1 460 . 1 1 52 52 HIS CE1 C 13 139.8 0.2 . 1 . . . A 52 HIS CE1 . 18551 1 461 . 1 1 52 52 HIS N N 15 115.3 0.2 . 1 . . . A 52 HIS N . 18551 1 462 . 1 1 52 52 HIS ND1 N 15 172.6 0.2 . 1 . . . A 52 HIS ND1 . 18551 1 463 . 1 1 52 52 HIS NE2 N 15 211.9 0.2 . 1 . . . A 52 HIS NE2 . 18551 1 464 . 1 1 53 53 ALA H H 1 7.63 0.02 . 1 . . . A 53 ALA H . 18551 1 465 . 1 1 53 53 ALA HA H 1 4.07 0.02 . 1 . . . A 53 ALA HA . 18551 1 466 . 1 1 53 53 ALA HB1 H 1 1.44 0.02 . 1 . . . A 53 ALA HB1 . 18551 1 467 . 1 1 53 53 ALA HB2 H 1 1.44 0.02 . 1 . . . A 53 ALA HB2 . 18551 1 468 . 1 1 53 53 ALA HB3 H 1 1.44 0.02 . 1 . . . A 53 ALA HB3 . 18551 1 469 . 1 1 53 53 ALA C C 13 178.3 0.2 . 1 . . . A 53 ALA C . 18551 1 470 . 1 1 53 53 ALA CA C 13 54.6 0.2 . 1 . . . A 53 ALA CA . 18551 1 471 . 1 1 53 53 ALA CB C 13 18.6 0.2 . 1 . . . A 53 ALA CB . 18551 1 472 . 1 1 53 53 ALA N N 15 122.1 0.2 . 1 . . . A 53 ALA N . 18551 1 473 . 1 1 54 54 ALA H H 1 8.18 0.02 . 1 . . . A 54 ALA H . 18551 1 474 . 1 1 54 54 ALA HA H 1 4.29 0.02 . 1 . . . A 54 ALA HA . 18551 1 475 . 1 1 54 54 ALA HB1 H 1 1.39 0.02 . 1 . . . A 54 ALA HB1 . 18551 1 476 . 1 1 54 54 ALA HB2 H 1 1.39 0.02 . 1 . . . A 54 ALA HB2 . 18551 1 477 . 1 1 54 54 ALA HB3 H 1 1.39 0.02 . 1 . . . A 54 ALA HB3 . 18551 1 478 . 1 1 54 54 ALA C C 13 177.7 0.2 . 1 . . . A 54 ALA C . 18551 1 479 . 1 1 54 54 ALA CA C 13 52.8 0.2 . 1 . . . A 54 ALA CA . 18551 1 480 . 1 1 54 54 ALA CB C 13 19 0.2 . 1 . . . A 54 ALA CB . 18551 1 481 . 1 1 54 54 ALA N N 15 118.2 0.2 . 1 . . . A 54 ALA N . 18551 1 482 . 1 1 55 55 GLN H H 1 8.1 0.02 . 1 . . . A 55 GLN H . 18551 1 483 . 1 1 55 55 GLN HA H 1 4.38 0.02 . 1 . . . A 55 GLN HA . 18551 1 484 . 1 1 55 55 GLN HB2 H 1 2.22 0.02 . 2 . . . A 55 GLN HB2 . 18551 1 485 . 1 1 55 55 GLN HB3 H 1 2.03 0.02 . 2 . . . A 55 GLN HB3 . 18551 1 486 . 1 1 55 55 GLN HG2 H 1 2.31 0.02 . 2 . . . A 55 GLN HG2 . 18551 1 487 . 1 1 55 55 GLN HG3 H 1 2.26 0.02 . 2 . . . A 55 GLN HG3 . 18551 1 488 . 1 1 55 55 GLN HE21 H 1 7.54 0.02 . 1 . . . A 55 GLN HE21 . 18551 1 489 . 1 1 55 55 GLN HE22 H 1 6.89 0.02 . 1 . . . A 55 GLN HE22 . 18551 1 490 . 1 1 55 55 GLN C C 13 173.7 0.2 . 1 . . . A 55 GLN C . 18551 1 491 . 1 1 55 55 GLN CA C 13 55.5 0.2 . 1 . . . A 55 GLN CA . 18551 1 492 . 1 1 55 55 GLN CB C 13 30.3 0.2 . 1 . . . A 55 GLN CB . 18551 1 493 . 1 1 55 55 GLN CG C 13 34.5 0.2 . 1 . . . A 55 GLN CG . 18551 1 494 . 1 1 55 55 GLN N N 15 118.2 0.2 . 1 . . . A 55 GLN N . 18551 1 495 . 1 1 55 55 GLN NE2 N 15 112.5 0.2 . 1 . . . A 55 GLN NE2 . 18551 1 496 . 1 1 56 56 VAL H H 1 7.15 0.02 . 1 . . . A 56 VAL H . 18551 1 497 . 1 1 56 56 VAL HA H 1 4.41 0.02 . 1 . . . A 56 VAL HA . 18551 1 498 . 1 1 56 56 VAL HB H 1 1.9 0.02 . 1 . . . A 56 VAL HB . 18551 1 499 . 1 1 56 56 VAL HG11 H 1 0.77 0.02 . 1 . . . A 56 VAL HG11 . 18551 1 500 . 1 1 56 56 VAL HG12 H 1 0.77 0.02 . 1 . . . A 56 VAL HG12 . 18551 1 501 . 1 1 56 56 VAL HG13 H 1 0.77 0.02 . 1 . . . A 56 VAL HG13 . 18551 1 502 . 1 1 56 56 VAL HG21 H 1 0.76 0.02 . 1 . . . A 56 VAL HG21 . 18551 1 503 . 1 1 56 56 VAL HG22 H 1 0.76 0.02 . 1 . . . A 56 VAL HG22 . 18551 1 504 . 1 1 56 56 VAL HG23 H 1 0.76 0.02 . 1 . . . A 56 VAL HG23 . 18551 1 505 . 1 1 56 56 VAL C C 13 174.5 0.2 . 1 . . . A 56 VAL C . 18551 1 506 . 1 1 56 56 VAL CA C 13 60.9 0.2 . 1 . . . A 56 VAL CA . 18551 1 507 . 1 1 56 56 VAL CB C 13 33.9 0.2 . 1 . . . A 56 VAL CB . 18551 1 508 . 1 1 56 56 VAL CG1 C 13 21.3 0.2 . 1 . . . A 56 VAL CG1 . 18551 1 509 . 1 1 56 56 VAL CG2 C 13 20.1 0.2 . 1 . . . A 56 VAL CG2 . 18551 1 510 . 1 1 56 56 VAL N N 15 115.3 0.2 . 1 . . . A 56 VAL N . 18551 1 511 . 1 1 57 57 PHE H H 1 8.78 0.02 . 1 . . . A 57 PHE H . 18551 1 512 . 1 1 57 57 PHE HA H 1 4.83 0.02 . 1 . . . A 57 PHE HA . 18551 1 513 . 1 1 57 57 PHE HB2 H 1 2.92 0.02 . 2 . . . A 57 PHE HB2 . 18551 1 514 . 1 1 57 57 PHE HB3 H 1 2.69 0.02 . 2 . . . A 57 PHE HB3 . 18551 1 515 . 1 1 57 57 PHE HD1 H 1 7.03 0.02 . 3 . . . A 57 PHE HD1 . 18551 1 516 . 1 1 57 57 PHE HD2 H 1 7.03 0.02 . 3 . . . A 57 PHE HD2 . 18551 1 517 . 1 1 57 57 PHE HE1 H 1 7.25 0.02 . 3 . . . A 57 PHE HE1 . 18551 1 518 . 1 1 57 57 PHE HE2 H 1 7.25 0.02 . 3 . . . A 57 PHE HE2 . 18551 1 519 . 1 1 57 57 PHE HZ H 1 7.28 0.02 . 1 . . . A 57 PHE HZ . 18551 1 520 . 1 1 57 57 PHE CA C 13 55.2 0.2 . 1 . . . A 57 PHE CA . 18551 1 521 . 1 1 57 57 PHE CB C 13 40 0.2 . 1 . . . A 57 PHE CB . 18551 1 522 . 1 1 57 57 PHE CD1 C 13 131.9 0.2 . 3 . . . A 57 PHE CD1 . 18551 1 523 . 1 1 57 57 PHE CD2 C 13 131.9 0.2 . 3 . . . A 57 PHE CD2 . 18551 1 524 . 1 1 57 57 PHE CE1 C 13 131.7 0.2 . 3 . . . A 57 PHE CE1 . 18551 1 525 . 1 1 57 57 PHE CE2 C 13 131.7 0.2 . 3 . . . A 57 PHE CE2 . 18551 1 526 . 1 1 57 57 PHE CZ C 13 129.6 0.2 . 1 . . . A 57 PHE CZ . 18551 1 527 . 1 1 57 57 PHE N N 15 122.7 0.2 . 1 . . . A 57 PHE N . 18551 1 528 . 1 1 58 58 PRO HA H 1 4.72 0.02 . 1 . . . A 58 PRO HA . 18551 1 529 . 1 1 58 58 PRO HB2 H 1 2.1 0.02 . 2 . . . A 58 PRO HB2 . 18551 1 530 . 1 1 58 58 PRO HB3 H 1 1.92 0.02 . 2 . . . A 58 PRO HB3 . 18551 1 531 . 1 1 58 58 PRO HG2 H 1 2.1 0.02 . 2 . . . A 58 PRO HG2 . 18551 1 532 . 1 1 58 58 PRO HG3 H 1 1.86 0.02 . 2 . . . A 58 PRO HG3 . 18551 1 533 . 1 1 58 58 PRO HD2 H 1 3.79 0.02 . 2 . . . A 58 PRO HD2 . 18551 1 534 . 1 1 58 58 PRO HD3 H 1 3.56 0.02 . 2 . . . A 58 PRO HD3 . 18551 1 535 . 1 1 58 58 PRO C C 13 175.7 0.2 . 1 . . . A 58 PRO C . 18551 1 536 . 1 1 58 58 PRO CA C 13 62.1 0.2 . 1 . . . A 58 PRO CA . 18551 1 537 . 1 1 58 58 PRO CB C 13 32.3 0.2 . 1 . . . A 58 PRO CB . 18551 1 538 . 1 1 58 58 PRO CG C 13 26.7 0.2 . 1 . . . A 58 PRO CG . 18551 1 539 . 1 1 58 58 PRO CD C 13 51 0.2 . 1 . . . A 58 PRO CD . 18551 1 540 . 1 1 59 59 CYS H H 1 8.6 0.02 . 1 . . . A 59 CYS H . 18551 1 541 . 1 1 59 59 CYS HA H 1 4.42 0.02 . 1 . . . A 59 CYS HA . 18551 1 542 . 1 1 59 59 CYS HB2 H 1 3.65 0.02 . 2 . . . A 59 CYS HB2 . 18551 1 543 . 1 1 59 59 CYS HB3 H 1 2.66 0.02 . 2 . . . A 59 CYS HB3 . 18551 1 544 . 1 1 59 59 CYS C C 13 176.3 0.2 . 1 . . . A 59 CYS C . 18551 1 545 . 1 1 59 59 CYS CA C 13 60.8 0.2 . 1 . . . A 59 CYS CA . 18551 1 546 . 1 1 59 59 CYS CB C 13 29.5 0.2 . 1 . . . A 59 CYS CB . 18551 1 547 . 1 1 59 59 CYS N N 15 125.2 0.2 . 1 . . . A 59 CYS N . 18551 1 548 . 1 1 60 60 LYS H H 1 8.16 0.02 . 1 . . . A 60 LYS H . 18551 1 549 . 1 1 60 60 LYS HA H 1 4.16 0.02 . 1 . . . A 60 LYS HA . 18551 1 550 . 1 1 60 60 LYS HB2 H 1 1.24 0.02 . 2 . . . A 60 LYS HB2 . 18551 1 551 . 1 1 60 60 LYS HB3 H 1 1.14 0.02 . 2 . . . A 60 LYS HB3 . 18551 1 552 . 1 1 60 60 LYS HG2 H 1 1.08 0.02 . 2 . . . A 60 LYS HG2 . 18551 1 553 . 1 1 60 60 LYS HG3 H 1 0.84 0.02 . 2 . . . A 60 LYS HG3 . 18551 1 554 . 1 1 60 60 LYS HD2 H 1 1.48 0.02 . 2 . . . A 60 LYS HD2 . 18551 1 555 . 1 1 60 60 LYS HD3 H 1 1.48 0.02 . 2 . . . A 60 LYS HD3 . 18551 1 556 . 1 1 60 60 LYS HE2 H 1 2.87 0.02 . 2 . . . A 60 LYS HE2 . 18551 1 557 . 1 1 60 60 LYS HE3 H 1 2.87 0.02 . 2 . . . A 60 LYS HE3 . 18551 1 558 . 1 1 60 60 LYS C C 13 176.8 0.2 . 1 . . . A 60 LYS C . 18551 1 559 . 1 1 60 60 LYS CA C 13 57.1 0.2 . 1 . . . A 60 LYS CA . 18551 1 560 . 1 1 60 60 LYS CB C 13 32.4 0.2 . 1 . . . A 60 LYS CB . 18551 1 561 . 1 1 60 60 LYS CG C 13 24.2 0.2 . 1 . . . A 60 LYS CG . 18551 1 562 . 1 1 60 60 LYS CD C 13 29.2 0.2 . 1 . . . A 60 LYS CD . 18551 1 563 . 1 1 60 60 LYS CE C 13 41.9 0.2 . 1 . . . A 60 LYS CE . 18551 1 564 . 1 1 60 60 LYS N N 15 126.4 0.2 . 1 . . . A 60 LYS N . 18551 1 565 . 1 1 61 61 TYR H H 1 9.69 0.02 . 1 . . . A 61 TYR H . 18551 1 566 . 1 1 61 61 TYR HA H 1 4.51 0.02 . 1 . . . A 61 TYR HA . 18551 1 567 . 1 1 61 61 TYR HB2 H 1 2.66 0.02 . 2 . . . A 61 TYR HB2 . 18551 1 568 . 1 1 61 61 TYR HB3 H 1 1.14 0.02 . 2 . . . A 61 TYR HB3 . 18551 1 569 . 1 1 61 61 TYR HD1 H 1 6.91 0.02 . 3 . . . A 61 TYR HD1 . 18551 1 570 . 1 1 61 61 TYR HD2 H 1 6.91 0.02 . 3 . . . A 61 TYR HD2 . 18551 1 571 . 1 1 61 61 TYR HE1 H 1 6.76 0.02 . 3 . . . A 61 TYR HE1 . 18551 1 572 . 1 1 61 61 TYR HE2 H 1 6.76 0.02 . 3 . . . A 61 TYR HE2 . 18551 1 573 . 1 1 61 61 TYR C C 13 174.3 0.2 . 1 . . . A 61 TYR C . 18551 1 574 . 1 1 61 61 TYR CA C 13 57.7 0.2 . 1 . . . A 61 TYR CA . 18551 1 575 . 1 1 61 61 TYR CB C 13 38 0.2 . 1 . . . A 61 TYR CB . 18551 1 576 . 1 1 61 61 TYR CD1 C 13 133.0 0.2 . 3 . . . A 61 TYR CD1 . 18551 1 577 . 1 1 61 61 TYR CD2 C 13 133.0 0.2 . 3 . . . A 61 TYR CD2 . 18551 1 578 . 1 1 61 61 TYR CE1 C 13 118.2 0.2 . 3 . . . A 61 TYR CE1 . 18551 1 579 . 1 1 61 61 TYR CE2 C 13 118.2 0.2 . 3 . . . A 61 TYR CE2 . 18551 1 580 . 1 1 61 61 TYR N N 15 121.9 0.2 . 1 . . . A 61 TYR N . 18551 1 581 . 1 1 62 62 CYS H H 1 8.22 0.02 . 1 . . . A 62 CYS H . 18551 1 582 . 1 1 62 62 CYS HA H 1 5.07 0.02 . 1 . . . A 62 CYS HA . 18551 1 583 . 1 1 62 62 CYS HB2 H 1 3.5 0.02 . 2 . . . A 62 CYS HB2 . 18551 1 584 . 1 1 62 62 CYS HB3 H 1 3.2 0.02 . 2 . . . A 62 CYS HB3 . 18551 1 585 . 1 1 62 62 CYS CA C 13 58.2 0.2 . 1 . . . A 62 CYS CA . 18551 1 586 . 1 1 62 62 CYS CB C 13 29.6 0.2 . 1 . . . A 62 CYS CB . 18551 1 587 . 1 1 62 62 CYS N N 15 122.8 0.2 . 1 . . . A 62 CYS N . 18551 1 588 . 1 1 63 63 PRO HA H 1 4.57 0.02 . 1 . . . A 63 PRO HA . 18551 1 589 . 1 1 63 63 PRO HB2 H 1 2.34 0.02 . 2 . . . A 63 PRO HB2 . 18551 1 590 . 1 1 63 63 PRO HB3 H 1 1.94 0.02 . 2 . . . A 63 PRO HB3 . 18551 1 591 . 1 1 63 63 PRO HG2 H 1 2.01 0.02 . 2 . . . A 63 PRO HG2 . 18551 1 592 . 1 1 63 63 PRO HG3 H 1 1.91 0.02 . 2 . . . A 63 PRO HG3 . 18551 1 593 . 1 1 63 63 PRO HD2 H 1 3.84 0.02 . 2 . . . A 63 PRO HD2 . 18551 1 594 . 1 1 63 63 PRO HD3 H 1 3.58 0.02 . 2 . . . A 63 PRO HD3 . 18551 1 595 . 1 1 63 63 PRO C C 13 176.5 0.2 . 1 . . . A 63 PRO C . 18551 1 596 . 1 1 63 63 PRO CA C 13 64.1 0.2 . 1 . . . A 63 PRO CA . 18551 1 597 . 1 1 63 63 PRO CB C 13 31.9 0.2 . 1 . . . A 63 PRO CB . 18551 1 598 . 1 1 63 63 PRO CG C 13 27.6 0.2 . 1 . . . A 63 PRO CG . 18551 1 599 . 1 1 63 63 PRO CD C 13 50.8 0.2 . 1 . . . A 63 PRO CD . 18551 1 600 . 1 1 64 64 ALA H H 1 8.56 0.02 . 1 . . . A 64 ALA H . 18551 1 601 . 1 1 64 64 ALA HA H 1 4.03 0.02 . 1 . . . A 64 ALA HA . 18551 1 602 . 1 1 64 64 ALA HB1 H 1 1.01 0.02 . 1 . . . A 64 ALA HB1 . 18551 1 603 . 1 1 64 64 ALA HB2 H 1 1.01 0.02 . 1 . . . A 64 ALA HB2 . 18551 1 604 . 1 1 64 64 ALA HB3 H 1 1.01 0.02 . 1 . . . A 64 ALA HB3 . 18551 1 605 . 1 1 64 64 ALA C C 13 176.1 0.2 . 1 . . . A 64 ALA C . 18551 1 606 . 1 1 64 64 ALA CA C 13 53.9 0.2 . 1 . . . A 64 ALA CA . 18551 1 607 . 1 1 64 64 ALA CB C 13 20.2 0.2 . 1 . . . A 64 ALA CB . 18551 1 608 . 1 1 64 64 ALA N N 15 125.4 0.2 . 1 . . . A 64 ALA N . 18551 1 609 . 1 1 65 65 THR H H 1 7.61 0.02 . 1 . . . A 65 THR H . 18551 1 610 . 1 1 65 65 THR HA H 1 4.44 0.02 . 1 . . . A 65 THR HA . 18551 1 611 . 1 1 65 65 THR HB H 1 3.6 0.02 . 1 . . . A 65 THR HB . 18551 1 612 . 1 1 65 65 THR HG21 H 1 0.9 0.02 . 1 . . . A 65 THR HG21 . 18551 1 613 . 1 1 65 65 THR HG22 H 1 0.9 0.02 . 1 . . . A 65 THR HG22 . 18551 1 614 . 1 1 65 65 THR HG23 H 1 0.9 0.02 . 1 . . . A 65 THR HG23 . 18551 1 615 . 1 1 65 65 THR C C 13 171.4 0.2 . 1 . . . A 65 THR C . 18551 1 616 . 1 1 65 65 THR CA C 13 61.4 0.2 . 1 . . . A 65 THR CA . 18551 1 617 . 1 1 65 65 THR CB C 13 71.6 0.2 . 1 . . . A 65 THR CB . 18551 1 618 . 1 1 65 65 THR CG2 C 13 21.6 0.2 . 1 . . . A 65 THR CG2 . 18551 1 619 . 1 1 65 65 THR N N 15 113.2 0.2 . 1 . . . A 65 THR N . 18551 1 620 . 1 1 66 66 PHE H H 1 7.65 0.02 . 1 . . . A 66 PHE H . 18551 1 621 . 1 1 66 66 PHE HA H 1 4.42 0.02 . 1 . . . A 66 PHE HA . 18551 1 622 . 1 1 66 66 PHE HB2 H 1 3.53 0.02 . 2 . . . A 66 PHE HB2 . 18551 1 623 . 1 1 66 66 PHE HB3 H 1 2.93 0.02 . 2 . . . A 66 PHE HB3 . 18551 1 624 . 1 1 66 66 PHE HD1 H 1 7.26 0.02 . 3 . . . A 66 PHE HD1 . 18551 1 625 . 1 1 66 66 PHE HD2 H 1 7.26 0.02 . 3 . . . A 66 PHE HD2 . 18551 1 626 . 1 1 66 66 PHE HE1 H 1 6.8 0.02 . 3 . . . A 66 PHE HE1 . 18551 1 627 . 1 1 66 66 PHE HE2 H 1 6.8 0.02 . 3 . . . A 66 PHE HE2 . 18551 1 628 . 1 1 66 66 PHE HZ H 1 6.54 0.02 . 1 . . . A 66 PHE HZ . 18551 1 629 . 1 1 66 66 PHE CA C 13 57.2 0.2 . 1 . . . A 66 PHE CA . 18551 1 630 . 1 1 66 66 PHE CB C 13 42.7 0.2 . 1 . . . A 66 PHE CB . 18551 1 631 . 1 1 66 66 PHE CD1 C 13 131.2 0.2 . 3 . . . A 66 PHE CD1 . 18551 1 632 . 1 1 66 66 PHE CD2 C 13 131.2 0.2 . 3 . . . A 66 PHE CD2 . 18551 1 633 . 1 1 66 66 PHE CE1 C 13 131.1 0.2 . 3 . . . A 66 PHE CE1 . 18551 1 634 . 1 1 66 66 PHE CE2 C 13 131.1 0.2 . 3 . . . A 66 PHE CE2 . 18551 1 635 . 1 1 66 66 PHE CZ C 13 129.5 0.2 . 1 . . . A 66 PHE CZ . 18551 1 636 . 1 1 66 66 PHE N N 15 120.9 0.2 . 1 . . . A 66 PHE N . 18551 1 637 . 1 1 67 67 TYR HA H 1 5.28 0.02 . 1 . . . A 67 TYR HA . 18551 1 638 . 1 1 67 67 TYR HB2 H 1 3.53 0.02 . 2 . . . A 67 TYR HB2 . 18551 1 639 . 1 1 67 67 TYR HB3 H 1 2.83 0.02 . 2 . . . A 67 TYR HB3 . 18551 1 640 . 1 1 67 67 TYR HD1 H 1 7.19 0.02 . 3 . . . A 67 TYR HD1 . 18551 1 641 . 1 1 67 67 TYR HD2 H 1 7.19 0.02 . 3 . . . A 67 TYR HD2 . 18551 1 642 . 1 1 67 67 TYR HE1 H 1 6.69 0.02 . 3 . . . A 67 TYR HE1 . 18551 1 643 . 1 1 67 67 TYR HE2 H 1 6.69 0.02 . 3 . . . A 67 TYR HE2 . 18551 1 644 . 1 1 67 67 TYR C C 13 174.8 0.2 . 1 . . . A 67 TYR C . 18551 1 645 . 1 1 67 67 TYR CA C 13 57.8 0.2 . 1 . . . A 67 TYR CA . 18551 1 646 . 1 1 67 67 TYR CB C 13 38.5 0.2 . 1 . . . A 67 TYR CB . 18551 1 647 . 1 1 67 67 TYR CD1 C 13 133.1 0.2 . 3 . . . A 67 TYR CD1 . 18551 1 648 . 1 1 67 67 TYR CD2 C 13 133.1 0.2 . 3 . . . A 67 TYR CD2 . 18551 1 649 . 1 1 67 67 TYR CE1 C 13 118.2 0.2 . 3 . . . A 67 TYR CE1 . 18551 1 650 . 1 1 67 67 TYR CE2 C 13 118.2 0.2 . 3 . . . A 67 TYR CE2 . 18551 1 651 . 1 1 68 68 SER H H 1 7.68 0.02 . 1 . . . A 68 SER H . 18551 1 652 . 1 1 68 68 SER HA H 1 4.44 0.02 . 1 . . . A 68 SER HA . 18551 1 653 . 1 1 68 68 SER HB2 H 1 3.97 0.02 . 2 . . . A 68 SER HB2 . 18551 1 654 . 1 1 68 68 SER HB3 H 1 3.97 0.02 . 2 . . . A 68 SER HB3 . 18551 1 655 . 1 1 68 68 SER C C 13 172.2 0.2 . 1 . . . A 68 SER C . 18551 1 656 . 1 1 68 68 SER CA C 13 57 0.2 . 1 . . . A 68 SER CA . 18551 1 657 . 1 1 68 68 SER CB C 13 66.4 0.2 . 1 . . . A 68 SER CB . 18551 1 658 . 1 1 68 68 SER N N 15 112.8 0.2 . 1 . . . A 68 SER N . 18551 1 659 . 1 1 69 69 SER H H 1 8.6 0.02 . 1 . . . A 69 SER H . 18551 1 660 . 1 1 69 69 SER HA H 1 3.63 0.02 . 1 . . . A 69 SER HA . 18551 1 661 . 1 1 69 69 SER HB2 H 1 3.67 0.02 . 2 . . . A 69 SER HB2 . 18551 1 662 . 1 1 69 69 SER HB3 H 1 3.57 0.02 . 2 . . . A 69 SER HB3 . 18551 1 663 . 1 1 69 69 SER CA C 13 61.9 0.2 . 1 . . . A 69 SER CA . 18551 1 664 . 1 1 69 69 SER CB C 13 60.9 0.2 . 1 . . . A 69 SER CB . 18551 1 665 . 1 1 69 69 SER N N 15 117.8 0.2 . 1 . . . A 69 SER N . 18551 1 666 . 1 1 70 70 PRO HA H 1 4.26 0.02 . 1 . . . A 70 PRO HA . 18551 1 667 . 1 1 70 70 PRO HB2 H 1 2.29 0.02 . 2 . . . A 70 PRO HB2 . 18551 1 668 . 1 1 70 70 PRO HB3 H 1 1.7 0.02 . 2 . . . A 70 PRO HB3 . 18551 1 669 . 1 1 70 70 PRO HG2 H 1 2.06 0.02 . 2 . . . A 70 PRO HG2 . 18551 1 670 . 1 1 70 70 PRO HG3 H 1 1.89 0.02 . 2 . . . A 70 PRO HG3 . 18551 1 671 . 1 1 70 70 PRO HD2 H 1 3.81 0.02 . 2 . . . A 70 PRO HD2 . 18551 1 672 . 1 1 70 70 PRO HD3 H 1 3.61 0.02 . 2 . . . A 70 PRO HD3 . 18551 1 673 . 1 1 70 70 PRO C C 13 179 0.2 . 1 . . . A 70 PRO C . 18551 1 674 . 1 1 70 70 PRO CA C 13 65.7 0.2 . 1 . . . A 70 PRO CA . 18551 1 675 . 1 1 70 70 PRO CB C 13 31 0.2 . 1 . . . A 70 PRO CB . 18551 1 676 . 1 1 70 70 PRO CG C 13 28.4 0.2 . 1 . . . A 70 PRO CG . 18551 1 677 . 1 1 70 70 PRO CD C 13 50.2 0.2 . 1 . . . A 70 PRO CD . 18551 1 678 . 1 1 71 71 GLY H H 1 7.57 0.02 . 1 . . . A 71 GLY H . 18551 1 679 . 1 1 71 71 GLY HA2 H 1 3.84 0.02 . 2 . . . A 71 GLY HA2 . 18551 1 680 . 1 1 71 71 GLY HA3 H 1 3.61 0.02 . 2 . . . A 71 GLY HA3 . 18551 1 681 . 1 1 71 71 GLY C C 13 175.7 0.2 . 1 . . . A 71 GLY C . 18551 1 682 . 1 1 71 71 GLY CA C 13 46.7 0.2 . 1 . . . A 71 GLY CA . 18551 1 683 . 1 1 71 71 GLY N N 15 105 0.2 . 1 . . . A 71 GLY N . 18551 1 684 . 1 1 72 72 LEU H H 1 7.24 0.02 . 1 . . . A 72 LEU H . 18551 1 685 . 1 1 72 72 LEU HA H 1 3.49 0.02 . 1 . . . A 72 LEU HA . 18551 1 686 . 1 1 72 72 LEU HB2 H 1 2.05 0.02 . 2 . . . A 72 LEU HB2 . 18551 1 687 . 1 1 72 72 LEU HB3 H 1 1.51 0.02 . 2 . . . A 72 LEU HB3 . 18551 1 688 . 1 1 72 72 LEU HG H 1 1.63 0.02 . 1 . . . A 72 LEU HG . 18551 1 689 . 1 1 72 72 LEU HD11 H 1 1.16 0.02 . 1 . . . A 72 LEU HD11 . 18551 1 690 . 1 1 72 72 LEU HD12 H 1 1.16 0.02 . 1 . . . A 72 LEU HD12 . 18551 1 691 . 1 1 72 72 LEU HD13 H 1 1.16 0.02 . 1 . . . A 72 LEU HD13 . 18551 1 692 . 1 1 72 72 LEU HD21 H 1 1.05 0.02 . 1 . . . A 72 LEU HD21 . 18551 1 693 . 1 1 72 72 LEU HD22 H 1 1.05 0.02 . 1 . . . A 72 LEU HD22 . 18551 1 694 . 1 1 72 72 LEU HD23 H 1 1.05 0.02 . 1 . . . A 72 LEU HD23 . 18551 1 695 . 1 1 72 72 LEU C C 13 177.9 0.2 . 1 . . . A 72 LEU C . 18551 1 696 . 1 1 72 72 LEU CA C 13 57.8 0.2 . 1 . . . A 72 LEU CA . 18551 1 697 . 1 1 72 72 LEU CB C 13 40.3 0.2 . 1 . . . A 72 LEU CB . 18551 1 698 . 1 1 72 72 LEU CG C 13 27.5 0.2 . 1 . . . A 72 LEU CG . 18551 1 699 . 1 1 72 72 LEU CD1 C 13 22.2 0.2 . 1 . . . A 72 LEU CD1 . 18551 1 700 . 1 1 72 72 LEU CD2 C 13 26.2 0.2 . 1 . . . A 72 LEU CD2 . 18551 1 701 . 1 1 72 72 LEU N N 15 123.6 0.2 . 1 . . . A 72 LEU N . 18551 1 702 . 1 1 73 73 THR H H 1 8.49 0.02 . 1 . . . A 73 THR H . 18551 1 703 . 1 1 73 73 THR HA H 1 3.71 0.02 . 1 . . . A 73 THR HA . 18551 1 704 . 1 1 73 73 THR HB H 1 4.11 0.02 . 1 . . . A 73 THR HB . 18551 1 705 . 1 1 73 73 THR HG21 H 1 1.19 0.02 . 1 . . . A 73 THR HG21 . 18551 1 706 . 1 1 73 73 THR HG22 H 1 1.19 0.02 . 1 . . . A 73 THR HG22 . 18551 1 707 . 1 1 73 73 THR HG23 H 1 1.19 0.02 . 1 . . . A 73 THR HG23 . 18551 1 708 . 1 1 73 73 THR C C 13 176.1 0.2 . 1 . . . A 73 THR C . 18551 1 709 . 1 1 73 73 THR CA C 13 67.3 0.2 . 1 . . . A 73 THR CA . 18551 1 710 . 1 1 73 73 THR CB C 13 68.7 0.2 . 1 . . . A 73 THR CB . 18551 1 711 . 1 1 73 73 THR CG2 C 13 21.8 0.2 . 1 . . . A 73 THR CG2 . 18551 1 712 . 1 1 73 73 THR N N 15 117.1 0.2 . 1 . . . A 73 THR N . 18551 1 713 . 1 1 74 74 ARG H H 1 8.05 0.02 . 1 . . . A 74 ARG H . 18551 1 714 . 1 1 74 74 ARG HA H 1 3.98 0.02 . 1 . . . A 74 ARG HA . 18551 1 715 . 1 1 74 74 ARG HB2 H 1 1.84 0.02 . 2 . . . A 74 ARG HB2 . 18551 1 716 . 1 1 74 74 ARG HB3 H 1 1.79 0.02 . 2 . . . A 74 ARG HB3 . 18551 1 717 . 1 1 74 74 ARG HG2 H 1 1.77 0.02 . 2 . . . A 74 ARG HG2 . 18551 1 718 . 1 1 74 74 ARG HG3 H 1 1.57 0.02 . 2 . . . A 74 ARG HG3 . 18551 1 719 . 1 1 74 74 ARG C C 13 178.5 0.2 . 1 . . . A 74 ARG C . 18551 1 720 . 1 1 74 74 ARG CA C 13 59.6 0.2 . 1 . . . A 74 ARG CA . 18551 1 721 . 1 1 74 74 ARG CB C 13 30.1 0.2 . 1 . . . A 74 ARG CB . 18551 1 722 . 1 1 74 74 ARG CG C 13 27.8 0.2 . 1 . . . A 74 ARG CG . 18551 1 723 . 1 1 74 74 ARG CD C 13 43.6 0.2 . 1 . . . A 74 ARG CD . 18551 1 724 . 1 1 74 74 ARG N N 15 120.2 0.2 . 1 . . . A 74 ARG N . 18551 1 725 . 1 1 75 75 HIS H H 1 7.26 0.02 . 1 . . . A 75 HIS H . 18551 1 726 . 1 1 75 75 HIS HA H 1 4.27 0.02 . 1 . . . A 75 HIS HA . 18551 1 727 . 1 1 75 75 HIS HB2 H 1 3.16 0.02 . 2 . . . A 75 HIS HB2 . 18551 1 728 . 1 1 75 75 HIS HB3 H 1 2.67 0.02 . 2 . . . A 75 HIS HB3 . 18551 1 729 . 1 1 75 75 HIS HD2 H 1 7.33 0.02 . 1 . . . A 75 HIS HD2 . 18551 1 730 . 1 1 75 75 HIS HE1 H 1 7.99 0.02 . 1 . . . A 75 HIS HE1 . 18551 1 731 . 1 1 75 75 HIS C C 13 176.9 0.2 . 1 . . . A 75 HIS C . 18551 1 732 . 1 1 75 75 HIS CA C 13 59.6 0.2 . 1 . . . A 75 HIS CA . 18551 1 733 . 1 1 75 75 HIS CB C 13 28.9 0.2 . 1 . . . A 75 HIS CB . 18551 1 734 . 1 1 75 75 HIS CD2 C 13 127.7 0.2 . 1 . . . A 75 HIS CD2 . 18551 1 735 . 1 1 75 75 HIS CE1 C 13 140.1 0.2 . 1 . . . A 75 HIS CE1 . 18551 1 736 . 1 1 75 75 HIS N N 15 118.7 0.2 . 1 . . . A 75 HIS N . 18551 1 737 . 1 1 75 75 HIS ND1 N 15 173.9 0.2 . 1 . . . A 75 HIS ND1 . 18551 1 738 . 1 1 75 75 HIS NE2 N 15 218.7 0.2 . 1 . . . A 75 HIS NE2 . 18551 1 739 . 1 1 76 76 ILE H H 1 8.83 0.02 . 1 . . . A 76 ILE H . 18551 1 740 . 1 1 76 76 ILE HA H 1 3.42 0.02 . 1 . . . A 76 ILE HA . 18551 1 741 . 1 1 76 76 ILE HB H 1 1.98 0.02 . 1 . . . A 76 ILE HB . 18551 1 742 . 1 1 76 76 ILE HG12 H 1 2.2 0.02 . 2 . . . A 76 ILE HG12 . 18551 1 743 . 1 1 76 76 ILE HG13 H 1 1.42 0.02 . 2 . . . A 76 ILE HG13 . 18551 1 744 . 1 1 76 76 ILE HG21 H 1 1.03 0.02 . 1 . . . A 76 ILE HG21 . 18551 1 745 . 1 1 76 76 ILE HG22 H 1 1.03 0.02 . 1 . . . A 76 ILE HG22 . 18551 1 746 . 1 1 76 76 ILE HG23 H 1 1.03 0.02 . 1 . . . A 76 ILE HG23 . 18551 1 747 . 1 1 76 76 ILE HD11 H 1 1.18 0.02 . 1 . . . A 76 ILE HD11 . 18551 1 748 . 1 1 76 76 ILE HD12 H 1 1.18 0.02 . 1 . . . A 76 ILE HD12 . 18551 1 749 . 1 1 76 76 ILE HD13 H 1 1.18 0.02 . 1 . . . A 76 ILE HD13 . 18551 1 750 . 1 1 76 76 ILE C C 13 177.8 0.2 . 1 . . . A 76 ILE C . 18551 1 751 . 1 1 76 76 ILE CA C 13 66.3 0.2 . 1 . . . A 76 ILE CA . 18551 1 752 . 1 1 76 76 ILE CB C 13 38 0.2 . 1 . . . A 76 ILE CB . 18551 1 753 . 1 1 76 76 ILE CG1 C 13 30.6 0.2 . 1 . . . A 76 ILE CG1 . 18551 1 754 . 1 1 76 76 ILE CG2 C 13 17.8 0.2 . 1 . . . A 76 ILE CG2 . 18551 1 755 . 1 1 76 76 ILE CD1 C 13 14.2 0.2 . 1 . . . A 76 ILE CD1 . 18551 1 756 . 1 1 76 76 ILE N N 15 121.6 0.2 . 1 . . . A 76 ILE N . 18551 1 757 . 1 1 77 77 ASN H H 1 7.92 0.02 . 1 . . . A 77 ASN H . 18551 1 758 . 1 1 77 77 ASN HA H 1 4.27 0.02 . 1 . . . A 77 ASN HA . 18551 1 759 . 1 1 77 77 ASN HB2 H 1 2.79 0.02 . 2 . . . A 77 ASN HB2 . 18551 1 760 . 1 1 77 77 ASN HB3 H 1 2.73 0.02 . 2 . . . A 77 ASN HB3 . 18551 1 761 . 1 1 77 77 ASN HD21 H 1 7.48 0.02 . 1 . . . A 77 ASN HD21 . 18551 1 762 . 1 1 77 77 ASN HD22 H 1 6.88 0.02 . 1 . . . A 77 ASN HD22 . 18551 1 763 . 1 1 77 77 ASN C C 13 176.4 0.2 . 1 . . . A 77 ASN C . 18551 1 764 . 1 1 77 77 ASN CA C 13 55.8 0.2 . 1 . . . A 77 ASN CA . 18551 1 765 . 1 1 77 77 ASN CB C 13 38.4 0.2 . 1 . . . A 77 ASN CB . 18551 1 766 . 1 1 77 77 ASN N N 15 115.9 0.2 . 1 . . . A 77 ASN N . 18551 1 767 . 1 1 77 77 ASN ND2 N 15 111.6 0.2 . 1 . . . A 77 ASN ND2 . 18551 1 768 . 1 1 78 78 LYS H H 1 7.58 0.02 . 1 . . . A 78 LYS H . 18551 1 769 . 1 1 78 78 LYS HA H 1 4.17 0.02 . 1 . . . A 78 LYS HA . 18551 1 770 . 1 1 78 78 LYS HB2 H 1 1.86 0.02 . 2 . . . A 78 LYS HB2 . 18551 1 771 . 1 1 78 78 LYS HB3 H 1 1.86 0.02 . 2 . . . A 78 LYS HB3 . 18551 1 772 . 1 1 78 78 LYS HG2 H 1 1.45 0.02 . 2 . . . A 78 LYS HG2 . 18551 1 773 . 1 1 78 78 LYS HG3 H 1 1.45 0.02 . 2 . . . A 78 LYS HG3 . 18551 1 774 . 1 1 78 78 LYS HD2 H 1 1.67 0.02 . 2 . . . A 78 LYS HD2 . 18551 1 775 . 1 1 78 78 LYS HD3 H 1 1.67 0.02 . 2 . . . A 78 LYS HD3 . 18551 1 776 . 1 1 78 78 LYS HE2 H 1 2.98 0.02 . 2 . . . A 78 LYS HE2 . 18551 1 777 . 1 1 78 78 LYS HE3 H 1 2.98 0.02 . 2 . . . A 78 LYS HE3 . 18551 1 778 . 1 1 78 78 LYS C C 13 178.4 0.2 . 1 . . . A 78 LYS C . 18551 1 779 . 1 1 78 78 LYS CA C 13 58.1 0.2 . 1 . . . A 78 LYS CA . 18551 1 780 . 1 1 78 78 LYS CB C 13 34 0.2 . 1 . . . A 78 LYS CB . 18551 1 781 . 1 1 78 78 LYS CG C 13 24.9 0.2 . 1 . . . A 78 LYS CG . 18551 1 782 . 1 1 78 78 LYS CD C 13 29 0.2 . 1 . . . A 78 LYS CD . 18551 1 783 . 1 1 78 78 LYS CE C 13 42.2 0.2 . 1 . . . A 78 LYS CE . 18551 1 784 . 1 1 78 78 LYS N N 15 116.2 0.2 . 1 . . . A 78 LYS N . 18551 1 785 . 1 1 79 79 CYS H H 1 8.42 0.02 . 1 . . . A 79 CYS H . 18551 1 786 . 1 1 79 79 CYS HA H 1 4.09 0.02 . 1 . . . A 79 CYS HA . 18551 1 787 . 1 1 79 79 CYS HB2 H 1 2.13 0.02 . 2 . . . A 79 CYS HB2 . 18551 1 788 . 1 1 79 79 CYS HB3 H 1 1.31 0.02 . 2 . . . A 79 CYS HB3 . 18551 1 789 . 1 1 79 79 CYS C C 13 174.2 0.2 . 1 . . . A 79 CYS C . 18551 1 790 . 1 1 79 79 CYS CA C 13 60.7 0.2 . 1 . . . A 79 CYS CA . 18551 1 791 . 1 1 79 79 CYS CB C 13 28 0.2 . 1 . . . A 79 CYS CB . 18551 1 792 . 1 1 79 79 CYS N N 15 113.9 0.2 . 1 . . . A 79 CYS N . 18551 1 793 . 1 1 80 80 HIS H H 1 8.14 0.02 . 1 . . . A 80 HIS H . 18551 1 794 . 1 1 80 80 HIS HA H 1 5.28 0.02 . 1 . . . A 80 HIS HA . 18551 1 795 . 1 1 80 80 HIS HB2 H 1 2.98 0.02 . 2 . . . A 80 HIS HB2 . 18551 1 796 . 1 1 80 80 HIS HB3 H 1 2.61 0.02 . 2 . . . A 80 HIS HB3 . 18551 1 797 . 1 1 80 80 HIS HD2 H 1 6.63 0.02 . 1 . . . A 80 HIS HD2 . 18551 1 798 . 1 1 80 80 HIS HE1 H 1 7.90 0.02 . 1 . . . A 80 HIS HE1 . 18551 1 799 . 1 1 80 80 HIS CA C 13 51.7 0.2 . 1 . . . A 80 HIS CA . 18551 1 800 . 1 1 80 80 HIS CB C 13 28.7 0.2 . 1 . . . A 80 HIS CB . 18551 1 801 . 1 1 80 80 HIS CD2 C 13 128.5 0.2 . 1 . . . A 80 HIS CD2 . 18551 1 802 . 1 1 80 80 HIS CE1 C 13 139.2 0.2 . 1 . . . A 80 HIS CE1 . 18551 1 803 . 1 1 80 80 HIS N N 15 117 0.2 . 1 . . . A 80 HIS N . 18551 1 804 . 1 1 80 80 HIS ND1 N 15 174.0 0.2 . 1 . . . A 80 HIS ND1 . 18551 1 805 . 1 1 80 80 HIS NE2 N 15 215.8 0.2 . 1 . . . A 80 HIS NE2 . 18551 1 806 . 1 1 81 81 PRO HA H 1 4.32 0.02 . 1 . . . A 81 PRO HA . 18551 1 807 . 1 1 81 81 PRO HB2 H 1 2.33 0.02 . 2 . . . A 81 PRO HB2 . 18551 1 808 . 1 1 81 81 PRO HB3 H 1 1.97 0.02 . 2 . . . A 81 PRO HB3 . 18551 1 809 . 1 1 81 81 PRO HG2 H 1 1.92 0.02 . 2 . . . A 81 PRO HG2 . 18551 1 810 . 1 1 81 81 PRO HG3 H 1 1.88 0.02 . 2 . . . A 81 PRO HG3 . 18551 1 811 . 1 1 81 81 PRO HD2 H 1 3.44 0.02 . 2 . . . A 81 PRO HD2 . 18551 1 812 . 1 1 81 81 PRO HD3 H 1 3.09 0.02 . 2 . . . A 81 PRO HD3 . 18551 1 813 . 1 1 81 81 PRO C C 13 178.1 0.2 . 1 . . . A 81 PRO C . 18551 1 814 . 1 1 81 81 PRO CA C 13 64.7 0.2 . 1 . . . A 81 PRO CA . 18551 1 815 . 1 1 81 81 PRO CB C 13 31.5 0.2 . 1 . . . A 81 PRO CB . 18551 1 816 . 1 1 81 81 PRO CG C 13 27.5 0.2 . 1 . . . A 81 PRO CG . 18551 1 817 . 1 1 81 81 PRO CD C 13 50.5 0.2 . 1 . . . A 81 PRO CD . 18551 1 818 . 1 1 82 82 SER H H 1 8.26 0.02 . 1 . . . A 82 SER H . 18551 1 819 . 1 1 82 82 SER HA H 1 4.34 0.02 . 1 . . . A 82 SER HA . 18551 1 820 . 1 1 82 82 SER HB2 H 1 3.89 0.02 . 2 . . . A 82 SER HB2 . 18551 1 821 . 1 1 82 82 SER HB3 H 1 3.82 0.02 . 2 . . . A 82 SER HB3 . 18551 1 822 . 1 1 82 82 SER C C 13 174.9 0.2 . 1 . . . A 82 SER C . 18551 1 823 . 1 1 82 82 SER CA C 13 59 0.2 . 1 . . . A 82 SER CA . 18551 1 824 . 1 1 82 82 SER CB C 13 63.3 0.2 . 1 . . . A 82 SER CB . 18551 1 825 . 1 1 82 82 SER N N 15 114.1 0.2 . 1 . . . A 82 SER N . 18551 1 826 . 1 1 83 83 GLU H H 1 7.9 0.02 . 1 . . . A 83 GLU H . 18551 1 827 . 1 1 83 83 GLU HA H 1 4.23 0.02 . 1 . . . A 83 GLU HA . 18551 1 828 . 1 1 83 83 GLU HB2 H 1 1.89 0.02 . 2 . . . A 83 GLU HB2 . 18551 1 829 . 1 1 83 83 GLU HB3 H 1 1.53 0.02 . 2 . . . A 83 GLU HB3 . 18551 1 830 . 1 1 83 83 GLU HG2 H 1 1.89 0.02 . 2 . . . A 83 GLU HG2 . 18551 1 831 . 1 1 83 83 GLU HG3 H 1 1.53 0.02 . 2 . . . A 83 GLU HG3 . 18551 1 832 . 1 1 83 83 GLU C C 13 176.3 0.2 . 1 . . . A 83 GLU C . 18551 1 833 . 1 1 83 83 GLU CA C 13 56.1 0.2 . 1 . . . A 83 GLU CA . 18551 1 834 . 1 1 83 83 GLU CB C 13 29.4 0.2 . 1 . . . A 83 GLU CB . 18551 1 835 . 1 1 83 83 GLU CG C 13 35.4 0.2 . 1 . . . A 83 GLU CG . 18551 1 836 . 1 1 83 83 GLU N N 15 120.6 0.2 . 1 . . . A 83 GLU N . 18551 1 837 . 1 1 84 84 ASN H H 1 8.18 0.02 . 1 . . . A 84 ASN H . 18551 1 838 . 1 1 84 84 ASN HA H 1 4.71 0.02 . 1 . . . A 84 ASN HA . 18551 1 839 . 1 1 84 84 ASN HB2 H 1 2.85 0.02 . 2 . . . A 84 ASN HB2 . 18551 1 840 . 1 1 84 84 ASN HB3 H 1 2.65 0.02 . 2 . . . A 84 ASN HB3 . 18551 1 841 . 1 1 84 84 ASN HD21 H 1 7.59 0.02 . 1 . . . A 84 ASN HD21 . 18551 1 842 . 1 1 84 84 ASN HD22 H 1 6.85 0.02 . 1 . . . A 84 ASN HD22 . 18551 1 843 . 1 1 84 84 ASN C C 13 174.1 0.2 . 1 . . . A 84 ASN C . 18551 1 844 . 1 1 84 84 ASN CA C 13 53.2 0.2 . 1 . . . A 84 ASN CA . 18551 1 845 . 1 1 84 84 ASN CB C 13 39 0.2 . 1 . . . A 84 ASN CB . 18551 1 846 . 1 1 84 84 ASN N N 15 119.1 0.2 . 1 . . . A 84 ASN N . 18551 1 847 . 1 1 84 84 ASN ND2 N 15 112.6 0.2 . 1 . . . A 84 ASN ND2 . 18551 1 848 . 1 1 85 85 ARG H H 1 7.84 0.02 . 1 . . . A 85 ARG H . 18551 1 849 . 1 1 85 85 ARG HA H 1 4.17 0.02 . 1 . . . A 85 ARG HA . 18551 1 850 . 1 1 85 85 ARG HB2 H 1 1.85 0.02 . 2 . . . A 85 ARG HB2 . 18551 1 851 . 1 1 85 85 ARG HB3 H 1 1.72 0.02 . 2 . . . A 85 ARG HB3 . 18551 1 852 . 1 1 85 85 ARG HG2 H 1 1.57 0.02 . 2 . . . A 85 ARG HG2 . 18551 1 853 . 1 1 85 85 ARG HG3 H 1 1.57 0.02 . 2 . . . A 85 ARG HG3 . 18551 1 854 . 1 1 85 85 ARG HD2 H 1 3.15 0.02 . 2 . . . A 85 ARG HD2 . 18551 1 855 . 1 1 85 85 ARG HD3 H 1 3.15 0.02 . 2 . . . A 85 ARG HD3 . 18551 1 856 . 1 1 85 85 ARG CA C 13 57.5 0.2 . 1 . . . A 85 ARG CA . 18551 1 857 . 1 1 85 85 ARG CB C 13 31.6 0.2 . 1 . . . A 85 ARG CB . 18551 1 858 . 1 1 85 85 ARG CG C 13 27.2 0.2 . 1 . . . A 85 ARG CG . 18551 1 859 . 1 1 85 85 ARG CD C 13 43.4 0.2 . 1 . . . A 85 ARG CD . 18551 1 860 . 1 1 85 85 ARG N N 15 126.5 0.2 . 1 . . . A 85 ARG N . 18551 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_Nnoesy_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Nnoesy_peak_list _Spectral_peak_list.Entry_ID 18551 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 18 _Spectral_peak_list.Experiment_name '3D Nnoesy' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 104.815 8.507 7.572 2652392 104.917 7.248 7.577 16966360 104.919 1.713 7.576 5614709 104.919 3.835 7.577 24449754 104.920 3.613 7.577 22028508 104.940 3.964 7.578 4836834 104.952 2.052 7.579 4103915 104.956 2.301 7.578 1941228 104.967 4.258 7.575 4044791 105.778 8.613 8.617 3751898 105.822 3.789 8.625 5920833 107.338 2.879 7.415 5139410 107.361 3.273 7.416 11645036 107.362 1.573 7.415 15446208 107.362 1.533 7.417 10090445 107.370 4.588 7.415 12100504 107.370 4.063 7.415 2128186 107.370 3.917 7.417 2045260 107.869 3.948 8.391 4379966 107.869 4.315 8.401 2178163 107.886 8.403 8.389 6993702 108.465 2.107 7.116 2386742 108.521 7.111 6.886 74445768 108.521 3.999 6.886 2997325 108.533 6.880 7.108 66230496 108.534 2.106 6.886 5037976 108.563 1.919 6.886 2347337 109.121 3.951 8.432 3485762 109.121 4.636 8.430 7810986 109.148 3.933 8.313 4838581 109.188 4.340 8.318 4283800 109.816 8.498 8.483 6188940 109.831 3.936 8.487 4245649 109.831 4.285 8.484 2358748 111.428 7.478 6.890 57258772 111.431 2.725 6.898 3382672 111.445 6.882 7.484 62578240 111.469 2.723 7.484 2173480 111.470 1.180 7.484 5092625 111.471 1.180 6.889 7913070 112.339 6.890 7.553 127702392 112.339 7.553 6.898 91239888 112.339 2.262 6.897 2345782 112.339 2.260 7.552 2934125 112.339 2.303 7.552 3010533 112.339 2.303 6.897 2740400 112.381 4.195 7.975 13392792 112.393 5.181 7.972 5374091 112.394 2.986 7.977 4573806 112.400 8.485 7.974 30876760 112.401 3.804 7.975 30876692 112.404 3.401 7.974 12653459 112.435 8.836 7.980 4462570 112.455 7.977 7.697 4689474 112.503 6.852 7.595 78822200 112.511 7.595 6.857 72594728 112.517 2.657 7.590 3172841 112.675 2.843 7.694 3007929 112.684 7.016 7.694 5874885 112.697 8.622 7.696 2991040 112.707 3.965 7.691 6572440 112.727 2.927 7.694 9861165 112.728 7.247 7.699 5456702 112.733 2.689 7.692 3133116 112.734 4.445 7.696 12223353 112.738 3.524 7.693 20739904 112.747 5.293 7.693 8987353 113.090 0.910 7.616 7034031 113.094 8.587 7.624 2384397 113.100 4.032 7.616 52778372 113.107 3.605 7.614 11207035 113.114 1.014 7.614 25352702 113.124 4.444 7.619 8319724 113.725 1.442 8.432 3411426 113.735 3.421 8.430 5676563 113.737 4.273 8.432 3553915 113.745 2.142 8.428 7578130 113.756 7.591 8.429 25471488 113.764 8.156 8.430 31171276 113.768 1.865 8.430 22287986 113.770 1.325 8.430 18416994 113.772 4.179 8.428 5612008 113.783 4.100 8.428 6517840 113.786 2.613 8.436 2371590 113.806 2.988 8.427 2309533 114.002 4.335 8.272 6418873 114.074 3.904 8.274 2771702 114.088 3.827 8.278 2499955 115.116 1.446 7.175 3985122 115.131 5.362 7.177 9003894 115.145 0.922 7.172 3337614 115.147 3.284 7.174 11801255 115.166 7.642 7.177 11844677 115.168 8.198 7.175 35458288 115.178 0.599 7.175 9920311 115.181 3.819 7.174 8862323 115.183 3.383 7.173 7671062 115.190 4.267 7.174 6028649 115.194 7.878 7.175 3919132 115.217 8.115 7.152 14598935 115.228 1.894 7.151 10292911 115.240 0.765 7.153 33008636 115.248 4.388 7.155 30949638 115.260 2.022 7.148 4238872 115.263 2.213 7.153 5321736 115.294 6.483 7.161 4204732 115.301 1.739 7.639 19047416 115.301 1.554 7.639 9478966 115.308 3.905 7.639 28043786 115.310 1.829 7.639 39104812 115.314 7.638 7.638 488804416 115.317 7.875 7.639 28283984 115.317 3.811 7.637 5223456 115.319 1.617 7.639 14390066 115.321 1.920 7.639 14917829 115.324 8.245 7.638 22829878 115.324 3.150 7.637 3915093 115.362 0.926 7.632 2729695 115.801 7.591 7.925 21244354 115.806 3.722 7.924 4481960 115.806 1.182 7.921 4342520 115.812 1.035 7.924 10351243 115.819 8.852 7.925 17104010 115.819 3.973 7.924 6053975 115.819 2.783 7.924 26821510 115.819 2.728 7.926 18006376 115.819 1.983 7.924 16479094 115.822 4.281 7.924 18866146 115.857 1.873 7.927 3575732 115.918 1.429 7.920 2710708 116.062 1.773 7.586 4520572 116.064 1.567 7.585 3503663 116.065 7.926 7.589 25871816 116.071 2.794 7.591 12611556 116.092 4.275 7.587 9952114 116.093 4.173 7.590 16020270 116.098 8.436 7.589 25273604 116.102 7.591 7.588 493046848 116.103 1.866 7.588 49291712 116.131 1.445 7.587 5794480 116.197 4.825 7.993 12307807 116.197 2.732 7.589 9027930 116.203 1.850 7.990 9384675 116.203 1.420 7.991 9350484 116.204 3.992 7.992 64022276 116.206 2.170 7.993 14287145 116.210 0.738 7.991 3929005 116.211 3.982 7.586 4238084 116.212 3.550 7.992 29067406 116.896 2.131 8.160 3747898 116.898 2.997 8.475 2709323 116.912 2.990 8.158 12244231 116.919 1.320 8.159 7748449 116.929 3.093 8.159 16213227 116.929 8.436 8.160 44946136 116.930 5.277 8.161 12481971 116.932 4.096 8.158 4724954 116.937 3.425 8.159 21708792 116.939 1.029 8.160 4357778 116.940 2.613 8.160 5408552 116.980 1.503 8.510 5216774 116.985 5.176 8.483 8614070 116.992 0.594 8.480 8462754 116.995 3.818 8.480 6152754 116.998 7.978 8.481 32609922 117.001 8.837 8.482 28995026 117.001 2.889 8.486 7201854 117.001 0.884 8.481 29873152 117.005 3.531 8.489 4110153 117.009 3.400 8.480 6709606 117.009 3.717 8.512 21444832 117.010 1.641 8.511 6057311 117.011 4.270 8.511 7259816 117.012 4.112 8.511 29626202 117.014 0.451 8.483 11932524 117.015 1.181 8.512 13802202 117.019 7.248 8.511 26627774 117.020 2.048 8.511 14771120 117.021 1.045 8.510 5382904 117.022 8.056 8.511 17820354 117.105 0.835 7.874 8013416 117.106 8.202 7.872 22896620 117.117 1.634 7.873 31744968 117.117 3.498 8.510 4670332 117.118 7.637 7.873 16891324 117.122 1.827 7.874 11950834 117.123 4.206 7.870 12599616 117.132 1.465 7.873 14936285 117.147 3.902 7.874 7097227 117.583 3.820 8.198 4354242 117.658 0.614 8.201 37014336 117.659 1.633 8.202 12281613 117.661 7.875 8.201 29244132 117.668 7.174 8.201 33340548 117.670 0.753 8.202 13778475 117.672 4.271 8.202 16063138 117.676 7.246 8.623 2902378 117.717 3.963 8.621 9940812 117.718 4.448 8.621 24182162 117.719 3.647 8.621 23615512 117.725 1.445 8.201 18914458 117.725 3.816 8.620 11210164 117.744 7.642 8.198 3476823 117.768 0.785 8.202 9777351 117.768 4.202 8.204 9939660 117.810 3.586 8.624 16500427 118.032 4.052 7.404 2668502 118.059 0.772 8.117 4443666 118.060 2.036 8.119 16166379 118.061 3.799 7.398 2491383 118.065 1.550 7.405 2553148 118.070 7.154 8.118 18661202 118.071 1.408 8.117 7979983 118.074 4.382 8.120 8828071 118.075 2.221 8.117 7005181 118.080 4.300 8.118 17178686 118.106 4.146 7.405 10239231 118.107 1.744 7.403 11750084 118.114 2.977 7.404 30277292 118.115 7.937 7.403 17218814 118.116 1.810 7.405 7873630 118.118 2.748 7.404 20393482 118.120 8.248 7.404 16545713 118.136 3.899 7.404 3653750 118.149 2.591 7.402 6285235 118.155 4.086 8.203 4551314 118.182 1.945 7.404 3330852 118.182 2.304 8.119 4944814 118.182 2.273 8.119 7517412 118.224 1.399 8.198 15319374 118.224 4.293 8.200 7235703 118.224 1.449 8.197 8678304 118.329 7.638 7.409 2189307 118.360 7.125 7.396 2771160 118.575 3.710 7.268 3384402 118.598 1.796 7.270 12318408 118.604 7.600 7.270 3840836 118.604 1.173 7.266 4056032 118.614 8.058 7.269 22506888 118.618 3.970 7.270 5101562 118.620 4.275 7.270 14580319 118.620 2.673 7.269 26806172 118.623 3.492 7.269 9159341 118.623 3.159 7.269 35137028 118.630 8.851 7.269 18444838 118.630 1.846 7.269 11147004 118.884 4.230 8.188 4593033 118.884 4.718 8.188 19525416 118.996 0.906 7.938 15292808 119.016 2.088 7.938 10073086 119.019 3.942 7.939 19245012 119.023 8.303 7.946 3171905 119.031 4.101 7.935 5687464 119.155 2.672 8.208 2733456 119.256 4.603 7.965 5121001 119.277 1.947 7.976 5048762 119.297 4.247 7.978 17891506 119.368 2.691 7.978 7843714 119.746 1.923 7.935 6583357 119.773 8.613 7.933 13688789 119.775 3.780 7.939 5096490 119.782 7.400 7.934 15266844 119.787 1.815 7.934 22722300 119.788 1.743 7.934 23601892 119.796 2.077 7.934 11167371 119.796 3.901 7.933 15657155 119.803 4.054 7.933 6576278 119.864 4.648 8.418 6939318 119.872 2.876 8.419 8558179 119.877 1.530 7.938 4230660 119.890 3.555 8.418 8381890 119.891 4.824 8.418 35177204 119.899 7.204 8.420 12912134 119.913 5.078 8.416 3848800 119.916 1.025 8.251 3438174 119.919 1.827 8.250 13620176 119.925 7.637 8.248 16968292 119.928 2.979 8.250 17439688 119.928 3.816 8.250 13476617 119.930 1.920 8.249 28507824 119.932 7.400 8.249 18456754 119.933 1.619 8.249 13709134 119.952 0.928 8.244 5047640 119.960 1.920 8.308 9769296 119.960 4.250 8.314 2131146 119.965 7.135 8.250 5083332 119.980 4.349 8.314 10748573 119.981 2.745 8.248 5973016 120.005 2.824 8.418 3674702 120.015 1.407 8.316 3224360 120.037 1.576 8.616 4015927 120.037 1.927 8.613 14900225 120.048 2.514 8.612 22988480 120.051 7.318 8.613 20794572 120.054 2.590 8.613 22038068 120.054 0.928 8.613 3537627 120.057 2.080 8.613 27576606 120.063 3.915 8.259 2952168 120.069 3.780 8.613 22517222 120.090 7.936 8.613 14742479 120.098 3.436 8.610 2937803 120.099 1.754 8.615 7661666 120.114 1.568 8.056 3797214 120.144 3.973 8.057 17057886 120.145 7.263 8.058 21050158 120.149 8.513 8.058 15576364 120.150 4.115 8.058 18477666 120.155 1.798 8.057 26729126 120.158 3.616 8.052 2869891 120.161 1.830 8.058 27843692 120.165 3.714 8.058 4693114 120.166 4.270 8.060 3368551 120.170 1.185 8.058 9047167 120.288 2.689 8.303 3040074 120.480 1.884 7.913 6496386 120.487 3.969 8.336 4417882 120.487 4.286 8.340 2609370 120.487 2.071 8.353 2287061 120.487 1.949 8.351 3585710 120.500 4.637 8.306 5089748 120.500 3.964 8.306 4102326 120.502 4.343 7.920 4298358 120.511 1.536 7.918 7649211 120.514 4.231 7.909 3429102 120.764 3.520 7.665 7748495 120.766 1.054 7.662 3324030 120.775 7.265 7.666 20948680 120.776 2.928 7.665 17742408 120.780 0.905 7.666 17516150 120.785 8.798 7.666 8492254 120.785 4.443 7.665 48144068 120.793 3.610 7.665 9831732 120.804 2.690 7.666 5844390 121.424 1.622 8.051 10080727 121.430 3.930 8.051 8072954 121.450 1.423 8.844 8547162 121.473 3.714 8.843 4840102 121.474 3.420 8.844 11320374 121.474 7.266 8.845 14309391 121.474 7.927 8.844 15527880 121.476 2.189 8.844 18796384 121.478 3.161 8.845 12038651 121.481 4.372 8.061 3945688 121.482 1.181 8.844 9389781 121.482 1.982 8.844 26879430 121.489 2.666 8.846 4574276 121.536 1.031 8.844 5893874 121.616 4.063 7.325 3911351 121.618 2.873 7.328 5157304 121.622 3.272 7.327 4181155 121.627 7.635 7.325 14607425 121.629 3.448 7.326 5502614 121.632 2.592 7.324 39286852 121.635 1.581 7.324 19642340 121.636 1.751 7.324 16115992 121.638 8.612 7.324 25991614 121.639 1.907 7.324 5363130 121.668 2.091 7.325 4961740 121.719 3.673 9.711 3332350 121.750 6.770 9.716 2756411 121.769 4.147 9.712 4738656 121.779 8.241 9.707 29824986 121.783 4.517 9.705 6507342 121.787 6.903 9.704 7629810 121.788 2.659 9.708 6271024 121.794 0.854 9.711 2736625 121.794 1.136 9.708 13993489 121.799 8.166 9.707 15962727 121.847 4.458 8.829 3212637 121.865 4.433 9.711 2525126 121.884 4.008 8.830 2996208 121.888 0.451 8.832 4957336 121.910 4.222 8.834 5475264 121.919 1.740 8.835 4848718 121.929 3.817 8.829 9984793 121.929 1.020 8.833 3403610 121.929 0.926 8.832 5292860 121.929 1.968 8.839 8393644 121.929 2.176 8.839 6384738 121.929 1.403 8.837 3360182 121.931 0.593 8.831 23151172 121.934 8.485 8.831 20179120 121.941 0.885 8.830 20382718 122.031 5.362 7.640 6029425 122.039 1.451 7.640 36056032 122.041 7.176 7.641 15445740 122.043 3.378 7.640 3203584 122.047 4.081 7.641 14038168 122.065 8.200 7.643 3459294 122.323 2.170 7.924 3057583 122.338 3.990 7.920 10591380 122.338 4.194 7.929 2400118 122.347 3.399 7.923 12699487 122.347 1.425 7.922 11195153 122.356 0.909 8.792 4577608 122.357 1.856 7.922 22413736 122.364 2.975 7.925 4937641 122.422 9.606 7.923 3846037 122.494 4.822 8.785 6507855 122.503 5.289 8.784 2542864 122.505 1.897 8.790 10284987 122.534 7.027 8.789 6483722 122.538 7.673 8.794 4308336 122.541 2.696 8.791 8487258 122.545 2.927 8.787 4117591 122.546 0.768 8.793 9360054 122.547 4.409 8.791 25083478 122.645 6.894 8.244 2717606 122.698 2.659 8.243 8252510 122.707 1.138 8.243 8494562 122.710 4.429 8.246 3364290 122.717 5.068 8.243 15633756 122.718 3.660 8.243 14181276 122.723 9.713 8.244 56131052 122.727 4.514 8.243 6442004 122.749 3.202 8.247 5799838 122.749 3.501 8.244 2895867 122.863 3.815 8.232 2201532 123.377 1.388 8.172 5844920 123.377 4.299 8.171 2397738 123.419 3.941 8.174 4085559 123.432 8.614 7.632 3983612 123.442 1.582 7.634 38058524 123.444 4.058 7.635 14580140 123.447 3.788 7.635 9615162 123.448 7.319 7.636 17014554 123.458 2.590 7.646 2425819 123.481 1.173 7.251 4650268 123.498 1.050 7.250 5009874 123.507 2.923 7.252 5995328 123.517 3.624 7.251 11408016 123.520 3.839 7.252 9916408 123.525 1.508 7.252 18066458 123.527 2.045 7.252 29752030 123.530 8.514 7.251 23531328 123.532 7.579 7.251 14103069 123.532 3.494 7.252 16602917 123.534 1.640 7.250 5486950 123.776 4.638 8.763 18625424 123.786 1.572 8.762 13202072 123.808 0.736 8.761 2232909 123.859 1.214 8.765 2274441 123.898 5.086 8.760 2246196 124.361 1.352 8.742 5436332 124.379 4.580 8.743 9395895 124.400 2.825 8.802 5239576 124.400 2.757 8.802 2829878 124.414 4.596 8.801 20056270 124.414 4.642 8.800 4228991 124.428 2.682 8.802 5301686 124.443 1.645 8.742 4896546 124.443 3.441 8.735 2470756 124.449 8.421 8.799 3108158 124.811 4.334 8.297 5083202 124.811 2.083 8.304 2981347 124.859 1.583 8.306 2846276 124.859 1.627 8.304 4181573 124.859 1.676 8.307 7132314 124.884 0.905 8.303 4399124 124.884 0.855 8.305 2106142 124.962 4.106 8.303 11364143 124.983 2.102 8.625 4251700 125.067 2.667 8.624 23108996 125.067 4.720 8.623 44583792 125.069 1.161 8.623 9871614 125.074 3.661 8.624 24791834 125.079 0.913 8.623 6999445 125.079 4.435 8.624 24534338 125.108 1.931 8.623 4709654 125.302 4.571 8.580 7324130 125.323 1.015 8.582 72129208 125.336 3.582 8.582 7478872 125.336 4.031 8.582 22137548 125.355 1.951 8.582 4781634 125.359 3.655 8.584 8179815 125.425 3.816 8.574 2358783 125.806 1.395 8.249 2620572 125.806 4.435 8.255 2175810 126.237 8.621 8.169 3817912 126.251 3.659 8.173 2460066 126.271 0.838 8.172 6455224 126.279 1.148 8.173 31880794 126.287 9.712 8.174 19344294 126.290 4.427 8.172 51281848 126.292 1.236 8.172 16034258 126.293 4.154 8.173 12519506 126.304 2.660 8.173 4574098 126.374 2.863 7.853 3926086 126.386 1.076 8.174 13622675 126.396 4.179 7.840 11930042 126.402 4.729 7.850 29919204 126.403 1.718 7.847 10985912 126.404 1.847 7.848 6799730 126.404 1.567 7.846 9424328 126.510 3.399 9.619 9186276 126.514 4.816 9.617 5096364 126.537 2.987 9.618 6815572 126.540 5.075 9.618 16324531 126.587 1.224 9.612 2472762 ; loop_ _Spectral_dim.ID _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.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 amide . . . . . . 18551 1 2 N 15 amide . . . . . . 18551 1 3 H 1 all . . . . . . 18551 1 stop_ save_ save_Cnoesy_ali.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_ali.list _Spectral_peak_list.Entry_ID 18551 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 14.134 8.849 1.183 9938537 14.168 3.711 1.185 14664107 14.177 1.426 1.185 55218312 14.187 2.188 1.187 39152432 14.188 1.039 1.184 115681984 14.195 2.664 1.183 6738928 14.196 3.427 1.183 9604545 14.198 1.648 1.184 36898168 14.212 6.754 1.186 11389312 14.217 1.997 1.185 33225520 14.222 7.316 1.183 6837104 17.666 1.526 1.031 19963896 17.709 7.928 1.033 12055214 17.715 4.292 1.033 13319976 17.719 6.757 1.033 12560253 17.734 2.992 1.032 28063656 17.762 3.424 1.032 37867088 17.765 1.186 1.032 147217776 17.769 1.979 1.031 64860368 17.770 1.036 1.032 1499769856 17.783 2.622 1.032 20214472 17.794 1.433 1.032 39099604 17.809 6.626 1.033 9511687 17.812 3.718 1.032 6809360 17.813 2.194 1.032 25193154 17.816 8.858 1.032 9382970 17.836 6.899 1.032 8514833 18.641 7.644 1.448 23548104 18.646 1.459 1.450 2053840640 18.648 4.085 1.449 71504960 18.668 4.270 1.444 29725374 18.696 4.636 1.581 8522704 18.717 3.284 1.582 26730200 18.722 2.594 1.580 9700568 18.730 7.213 1.580 32872618 18.731 6.806 1.584 3801262 18.735 2.871 1.580 18122164 18.735 7.317 1.580 27112532 18.738 4.063 1.581 81138408 18.743 7.638 1.580 31054262 18.854 6.139 1.462 3542244 19.102 8.209 1.403 8223850 19.210 4.329 1.397 117149192 19.243 3.282 1.529 7882990 19.282 3.888 1.400 28694310 19.288 2.230 1.395 46032912 19.298 1.933 1.398 98758832 19.298 4.282 1.399 74329792 19.298 8.112 1.403 2601141 19.300 8.164 1.405 7026942 19.350 6.118 1.405 5182772 19.401 4.593 1.530 76755360 19.422 3.900 1.533 6094847 19.434 7.412 1.530 8772793 19.983 1.380 0.763 10627128 20.032 4.086 0.763 16771961 20.033 3.805 0.768 9803572 20.044 3.911 0.764 8915549 20.070 1.896 0.767 48340780 20.119 3.406 0.763 4234906 20.120 7.165 0.766 32849612 20.131 0.239 0.771 6818126 20.137 4.414 0.765 20651696 20.143 1.641 0.765 10394042 20.163 7.656 0.771 4435702 20.168 8.797 0.770 6190676 20.175 3.578 0.763 17497756 20.186 2.278 0.759 4597826 20.202 6.694 0.762 9968820 20.223 7.309 1.017 7112404 20.234 1.913 1.010 5500694 20.249 4.426 1.018 3744618 20.257 4.768 1.008 4750067 20.261 6.803 1.018 30556484 20.269 7.625 1.017 22322828 20.273 8.591 1.017 57347544 20.273 4.039 1.017 67745664 20.273 8.558 1.018 57347544 20.274 7.993 1.017 13116494 20.278 3.669 1.019 14563970 20.283 2.678 1.018 18595848 20.285 6.550 1.017 15781149 20.409 4.358 0.908 4942186 20.422 4.108 0.901 14531549 20.499 3.952 0.901 9125745 20.626 2.093 0.906 44981560 20.669 2.445 0.909 5429602 20.963 3.536 0.458 5628473 20.970 5.175 0.455 5681148 21.001 4.105 0.914 20386612 21.012 8.488 0.452 9675802 21.016 2.902 0.451 9870141 21.018 1.014 0.456 12256930 21.036 3.394 0.451 5589082 21.045 3.828 0.452 43220268 21.049 0.899 0.458 54576284 21.051 0.601 0.452 108523832 21.055 8.105 0.455 12885824 21.057 2.251 0.454 9407523 21.195 6.708 0.767 13810756 21.195 1.020 0.775 26885702 21.195 0.924 0.773 102212168 21.234 2.918 0.604 3906372 21.253 2.094 0.912 57397684 21.284 7.170 0.774 22466226 21.284 5.293 0.770 3377595 21.285 3.927 0.911 6374010 21.297 3.579 0.774 29610696 21.305 6.764 0.593 4821458 21.308 2.262 0.596 10476177 21.309 4.417 0.773 38014628 21.313 3.812 0.772 8321047 21.318 8.797 0.773 11945016 21.326 2.273 0.771 5397514 21.336 1.775 0.594 14444554 21.340 0.905 0.595 76420992 21.348 7.647 0.773 3642833 21.352 0.455 0.595 138646240 21.354 1.904 0.772 60468844 21.356 8.493 0.595 10466599 21.367 8.846 0.595 35187428 21.375 2.027 0.593 7664302 21.399 3.382 0.594 11483573 21.405 0.057 0.595 8372462 21.413 3.824 0.595 39118900 21.430 7.198 0.596 4055950 21.452 1.024 0.596 24153552 21.540 3.612 0.906 67628152 21.545 4.442 0.907 41889664 21.545 8.777 0.906 2801486 21.545 4.720 0.906 32693550 21.545 1.863 0.908 28244870 21.545 1.932 0.906 31378728 21.545 3.789 0.908 3677428 21.575 7.663 0.906 26061680 21.586 8.620 0.908 7995196 21.586 1.890 0.908 36662448 21.711 2.067 1.180 14961053 21.711 2.721 1.179 10498779 21.841 4.118 1.183 72486640 21.853 3.721 1.184 46270140 21.857 1.744 1.182 23334604 21.872 4.775 1.176 19036424 21.968 1.642 1.161 43049828 22.005 4.259 1.175 12473708 22.026 8.045 1.173 6518898 22.026 8.506 1.178 4110502 22.112 2.052 1.165 26654280 22.145 2.918 1.160 10912889 22.202 6.795 1.159 11556585 22.217 3.172 1.164 9485932 22.217 8.609 1.165 3466721 22.218 3.498 1.160 48811620 22.237 4.430 1.160 43299448 22.244 7.286 1.159 52876444 22.258 8.851 1.161 6100301 22.852 2.731 1.178 3422303 23.257 1.628 0.853 65724288 23.388 4.354 0.853 49496184 23.436 2.085 0.851 14502430 23.436 0.900 0.854 3634287104 23.436 1.692 0.852 29324650 23.436 1.596 0.855 43418400 23.436 1.387 0.854 29693194 23.538 1.622 0.827 117112320 23.558 3.165 0.828 8305763 23.595 4.211 0.825 47135472 23.604 1.446 0.746 27227494 23.616 4.269 0.746 44596780 23.653 0.599 0.745 81266688 23.738 1.984 0.744 11562335 23.844 1.237 0.734 36130556 23.844 1.589 0.733 58185712 23.844 4.816 0.733 29555190 23.844 8.400 0.741 6164790 23.844 7.996 0.738 7379836 23.844 1.541 0.734 37033444 23.879 3.560 0.733 37680920 23.884 2.712 0.729 3980923 23.907 5.084 0.733 30506494 24.030 0.835 1.089 41589920 24.098 2.872 1.086 7005916 24.128 8.172 1.081 6543788 24.161 1.491 1.084 15591842 24.204 4.152 1.080 8167784 24.239 8.200 0.839 6266967 24.274 0.633 0.786 66797232 24.279 4.199 0.841 30986930 24.286 1.420 0.787 30487942 24.288 1.630 0.843 86011640 24.288 1.733 0.840 36079304 24.289 1.091 0.837 72877824 24.297 8.190 0.787 7058910 24.307 4.273 0.787 39087780 24.309 8.052 0.787 13645215 24.316 1.490 0.841 65355768 24.327 2.991 1.252 18431378 24.334 2.116 1.243 9517532 24.341 3.455 1.248 15597973 24.341 1.639 1.248 46874660 24.341 1.354 1.252 107343864 24.341 1.685 1.247 34292768 24.358 2.523 1.247 9508909 24.436 3.181 0.843 12386468 24.511 7.883 0.840 5278272 24.795 2.963 1.448 14931933 24.847 4.177 1.442 18072192 24.857 1.870 1.448 50581928 24.861 1.645 1.447 107453784 24.882 7.602 1.444 10455042 24.885 1.589 0.809 43904284 24.885 3.542 0.810 3606534 24.885 7.989 0.807 3921718 24.885 5.070 0.815 3874439 24.892 9.601 0.816 5092562 24.931 1.626 0.904 62527604 24.943 3.799 0.813 3782834 25.027 8.776 0.816 4851507 25.038 4.355 0.905 11124903 25.038 1.685 0.902 31334070 25.038 1.582 0.903 35123480 25.038 0.852 0.903 1401377152 25.038 2.096 0.906 10972715 25.067 1.232 0.810 26150498 25.437 4.001 0.929 9297149 25.447 1.829 0.930 44439608 25.451 4.235 0.932 13635400 25.466 3.366 0.932 7082694 25.478 2.092 0.931 13501853 25.479 3.801 0.931 28020416 25.496 3.297 0.932 7256360 25.496 0.603 0.929 19518158 25.535 1.889 0.931 42997700 25.535 2.010 0.930 11975449 25.535 2.010 1.021 16633437 25.535 1.743 0.933 12735547 25.535 1.750 1.021 22886000 25.535 3.771 0.932 17175382 25.535 3.782 1.022 17196076 25.578 8.257 0.925 8362311 25.589 7.170 0.927 9223577 25.597 6.773 0.929 10725398 25.604 0.768 1.022 20727948 25.627 4.785 0.922 11807335 25.641 0.594 1.021 28707542 25.646 4.231 1.024 23505984 25.650 6.772 1.020 29454112 25.652 1.829 1.021 47379432 25.653 3.310 1.022 16423607 25.659 7.150 1.023 17556510 25.671 4.006 1.022 13022656 25.673 3.829 1.021 40412820 25.681 8.842 1.022 4319605 25.705 1.619 1.020 39030068 25.711 4.802 1.019 9751993 25.723 3.386 1.018 14457755 25.740 8.240 1.019 5745992 26.092 3.811 1.048 6763211 26.092 1.190 1.046 142181824 26.178 2.197 1.049 6868249 26.209 2.048 1.047 36696556 26.209 7.667 1.044 3134216 26.211 7.029 1.049 11652340 26.214 1.634 1.048 57519956 26.220 3.656 1.047 14997763 26.230 4.423 1.048 12250710 26.231 7.265 1.046 15742107 26.232 2.914 1.047 42526664 26.233 2.703 1.048 26932620 26.303 3.505 1.046 11604698 26.622 0.913 2.096 6428304 26.637 0.768 1.862 9612457 26.663 1.883 2.102 89518472 26.668 3.802 1.858 13635410 26.669 3.573 2.104 15393903 26.674 4.725 2.103 7289367 26.678 3.803 2.101 17681732 26.680 2.102 1.859 96296512 26.681 3.571 1.859 19533726 26.709 0.918 1.861 8919722 26.756 4.220 1.754 11894143 26.780 0.965 2.014 6299407 26.783 4.229 2.014 10635979 26.785 2.008 1.749 49727560 26.796 0.601 2.015 4229182 26.800 0.598 1.753 10933968 26.804 4.005 1.753 8522696 26.824 1.759 2.015 40747180 26.833 2.281 2.011 12253374 26.845 4.004 2.016 14141842 26.847 2.279 1.756 12848900 26.865 2.111 1.615 10589802 26.900 4.370 1.622 6958572 26.922 8.831 1.748 4782788 26.936 1.019 1.753 7456593 26.961 0.847 1.611 99304640 26.967 7.874 1.610 13275803 26.968 1.477 1.615 34145092 27.067 4.194 1.600 11878465 27.244 3.158 1.567 22202794 27.330 4.792 1.552 4356700 27.406 5.095 1.552 5751438 27.406 0.730 1.552 13468267 27.406 0.810 1.550 18201864 27.444 4.321 1.874 5237706 27.455 3.445 1.879 20297882 27.469 3.097 1.922 24429634 27.469 2.328 1.923 30026732 27.469 2.328 1.877 21720394 27.469 1.963 1.879 101686152 27.469 1.908 1.879 157676816 27.469 1.963 1.921 159202880 27.469 1.878 1.921 269294592 27.473 8.784 1.552 8270416 27.488 3.447 1.921 27320834 27.499 3.847 1.908 12814524 27.510 3.098 1.877 15551157 27.522 2.042 1.632 15929359 27.522 3.490 1.633 3098402 27.533 1.208 1.548 7091145 27.537 1.916 2.597 10463523 27.561 3.586 2.014 17597988 27.562 8.615 2.591 5898711 27.582 1.178 1.634 39060280 27.588 3.575 1.910 10910389 27.595 7.321 1.757 12111498 27.606 5.081 2.018 4485922 27.609 4.564 1.903 5779325 27.612 2.339 2.014 14699206 27.613 3.845 2.012 13068332 27.618 2.595 1.752 37908052 27.619 4.335 1.903 4451856 27.626 1.756 2.594 20830736 27.632 3.454 2.591 6397696 27.632 3.285 2.591 3213336 27.632 3.275 1.759 17021252 27.632 2.884 1.759 6196107 27.632 7.211 1.758 6175612 27.632 7.211 2.594 3536935 27.636 7.250 1.632 7406264 27.643 2.119 2.592 8731095 27.652 1.049 1.634 25625200 27.669 5.087 1.917 3820191 27.670 7.324 2.594 14447866 27.684 4.578 2.016 7782932 27.703 2.759 1.754 9259744 27.716 1.624 1.823 17691454 27.716 1.918 1.821 42895248 27.718 1.024 1.821 17921684 27.731 8.251 1.825 9399629 27.751 2.110 1.749 13518917 27.770 3.819 1.825 7217954 27.773 0.947 1.823 23604044 27.839 8.065 1.772 9455835 27.839 7.950 1.522 5508280 27.854 4.779 1.531 6150800 27.859 4.154 2.977 9685915 27.861 7.151 2.974 4736092 27.889 2.752 2.979 40931792 27.917 0.843 1.741 12584030 27.919 4.149 2.750 16040903 27.932 8.257 2.749 7334730 27.932 2.983 2.750 33730712 27.940 3.179 1.548 54111664 27.941 7.405 2.977 24250596 27.947 7.407 2.753 17362026 27.949 1.551 1.744 127888536 27.955 7.944 1.739 15132998 27.958 3.173 1.744 54547196 27.960 3.915 1.744 31560138 27.969 3.916 1.545 25312850 27.975 7.383 1.744 5670896 27.975 4.049 1.744 8553979 27.975 4.052 1.544 6154456 27.977 8.255 2.977 12514600 27.981 1.767 1.555 170619408 28.005 8.158 1.329 5498866 28.013 4.105 2.142 18611148 28.021 2.142 1.322 53617764 28.026 7.638 1.564 8990220 28.031 1.331 2.142 75348888 28.033 4.108 1.325 8670851 28.042 7.989 2.142 3878898 28.058 8.449 2.145 11399410 28.060 7.648 1.740 12269655 28.093 8.059 1.424 6717018 28.105 8.432 1.314 12282984 28.115 0.609 1.425 21900916 28.138 4.270 1.426 9362380 28.160 0.785 1.427 31486494 28.300 8.195 1.426 7719146 28.368 1.889 2.061 79518856 28.381 1.719 2.061 26902894 28.382 2.301 1.885 22591932 28.390 3.823 1.886 12898006 28.398 2.057 1.885 63528860 28.408 3.636 1.885 13437911 28.411 3.630 2.058 20903790 28.417 2.313 2.063 21272234 28.418 3.819 2.060 18628488 28.418 4.262 2.067 5699003 28.426 3.964 2.059 6114222 28.475 4.262 1.885 9955613 28.559 1.893 2.979 6242991 28.571 1.886 2.617 7857854 28.601 6.621 2.992 7850183 28.641 2.992 2.613 53471284 28.645 5.280 2.613 11476363 28.652 3.425 2.620 5803392 28.663 8.162 2.983 5430349 28.670 2.620 2.988 56816628 28.671 5.282 2.987 12198615 28.678 1.524 2.985 6872013 28.685 1.035 2.985 15476193 28.687 1.541 2.618 7008192 28.693 2.163 2.692 9781840 28.694 3.422 2.987 6859946 28.699 8.160 2.606 3904613 28.703 7.991 2.698 7292746 28.703 8.794 2.698 7147425 28.704 1.042 2.608 8450591 28.720 3.458 1.541 7289457 28.730 0.754 2.694 3741853 28.734 1.263 1.680 14627228 28.743 4.600 2.691 34279488 28.744 3.456 1.678 15495700 28.745 6.897 2.997 3223881 28.749 3.490 3.164 8842242 28.755 1.265 1.544 25735670 28.758 2.990 1.542 25472692 28.764 4.777 2.691 19254224 28.771 6.620 2.613 5456350 28.812 0.998 3.291 6808404 28.828 4.274 2.683 15104484 28.854 2.979 1.672 42286924 28.865 8.829 2.684 9222718 28.865 0.777 3.287 4419934 28.867 3.838 3.291 5807174 28.900 3.282 3.386 61706396 28.900 3.391 3.282 54109132 28.900 1.169 2.675 7063006 28.927 7.173 3.393 6400872 28.939 2.676 3.162 46777420 28.942 3.164 2.673 40103160 28.947 4.272 3.159 9588068 28.950 3.839 3.381 5444018 28.953 1.817 2.689 5149787 28.961 7.189 3.292 6531278 28.963 0.449 3.384 5920953 28.963 3.491 2.668 6920098 28.969 5.367 3.276 10926794 28.972 0.918 3.376 3683994 28.974 8.851 3.161 8978817 28.975 4.165 1.667 9853443 28.979 7.274 3.160 23395876 28.981 6.766 3.385 3937662 28.987 5.367 3.388 14887141 28.988 1.172 3.162 9059474 28.991 0.606 3.286 4988230 28.994 0.606 3.378 7174934 28.995 7.278 2.673 17897364 29.005 6.804 3.156 4508596 29.005 7.338 3.161 13604065 29.005 7.341 2.672 11796503 29.012 6.771 3.288 6769122 29.055 6.551 2.676 4397091 29.181 1.101 1.486 16614431 29.195 2.866 1.484 42557340 29.195 6.771 1.488 6389759 29.235 4.775 1.482 6588590 29.243 2.627 1.539 6377844 29.246 0.850 1.487 18047640 29.251 4.158 1.491 6345050 29.257 6.920 1.500 3681152 29.257 4.775 1.534 6048628 29.302 1.887 1.534 110593096 29.320 1.543 1.887 108239960 29.339 8.232 2.668 3915790 29.362 4.739 3.655 6785406 29.370 4.236 1.534 13219599 29.400 2.078 1.936 71888072 29.400 1.933 2.078 56495184 29.408 4.774 1.889 5877440 29.422 4.240 1.889 19429808 29.422 7.907 1.895 3710970 29.424 4.432 2.670 19132966 29.427 8.619 1.932 10171668 29.433 1.166 2.670 16912068 29.436 8.622 3.662 33351918 29.436 7.304 2.665 8143310 29.440 1.032 2.670 12635147 29.444 8.627 2.669 20350786 29.447 3.778 1.935 18944322 29.447 2.520 2.079 20040974 29.448 8.618 2.078 13814390 29.450 8.237 3.661 11360927 29.451 2.674 3.661 94102016 29.453 2.516 1.935 13123946 29.461 7.327 3.660 6033311 29.462 1.029 3.661 18019202 29.464 3.670 2.670 64146308 29.469 4.429 3.663 19289350 29.469 1.171 3.667 14169475 29.470 6.790 2.662 7171950 29.486 9.715 3.660 3859299 29.487 3.782 2.078 17998144 29.498 7.946 1.934 6458042 29.502 7.949 2.075 10477422 29.532 3.848 3.197 16116397 29.536 5.072 3.197 25876476 29.543 7.905 3.200 17780930 29.546 6.792 3.660 5768950 29.549 3.512 3.198 67443936 29.549 8.236 3.192 2510688 29.549 8.239 3.507 2133835 29.559 3.200 3.497 56742084 29.577 3.848 3.494 18791826 29.597 1.152 3.490 3086709 29.623 5.078 3.499 21634968 29.687 7.893 3.502 6181934 30.063 7.275 1.836 7750503 30.063 3.607 1.838 3845249 30.063 3.607 1.795 2164520 30.063 3.843 1.838 6097064 30.063 3.840 1.791 5727332 30.083 7.271 1.788 5665802 30.100 7.397 1.748 10481816 30.100 8.065 1.835 19179728 30.100 3.987 1.839 20968970 30.100 3.987 1.772 16106652 30.116 7.944 1.746 22266608 30.125 8.060 1.790 17988012 30.128 3.913 1.752 20041934 30.157 3.180 1.746 17705588 30.177 8.488 2.987 3062278 30.195 8.111 2.222 3622303 30.205 1.850 2.995 4801536 30.216 7.406 1.824 8659897 30.224 2.085 1.954 105963728 30.224 1.952 2.083 150784320 30.238 1.545 1.748 30416782 30.238 7.168 2.042 4096396 30.239 2.238 1.953 38340280 30.247 1.430 2.992 3853213 30.261 5.095 2.991 4877827 30.263 7.154 2.990 12409766 30.269 9.615 3.400 18863446 30.272 4.818 3.401 9799664 30.272 3.407 2.988 61219544 30.273 8.125 2.042 4859958 30.277 3.172 1.823 33491056 30.277 4.230 2.987 4442278 30.281 4.390 2.223 17429830 30.281 7.180 2.221 4268842 30.281 2.028 2.224 66490672 30.281 2.219 2.035 82663192 30.281 0.592 2.230 4179823 30.281 0.465 2.231 2142002 30.281 0.592 2.043 6309607 30.285 2.991 3.398 50610972 30.287 7.954 2.989 15203981 30.287 6.806 2.986 16589173 30.287 3.995 2.990 3517834 30.288 4.297 2.085 10296687 30.293 4.389 2.031 12478705 30.295 6.806 3.391 10538274 30.295 7.950 3.398 20447028 30.297 9.615 2.990 18334302 30.318 1.860 3.398 4866668 30.320 4.815 2.990 15437342 30.323 3.924 1.818 45813644 30.328 1.423 3.396 3424984 30.329 0.842 1.737 3965662 30.336 0.846 1.811 6742657 30.336 7.862 1.833 15827489 30.336 0.893 1.828 4652799 30.371 0.395 1.957 5650896 30.373 7.927 1.426 14020031 30.373 7.999 1.424 15271647 30.383 5.827 1.420 3991511 30.399 4.219 3.402 3300225 30.427 1.431 1.861 55445680 30.433 7.934 1.861 23817104 30.435 4.268 1.959 10824620 30.435 6.797 1.426 9055871 30.456 1.859 1.423 76434672 30.456 3.404 1.858 3840671 30.480 3.999 1.427 14091724 30.480 2.188 1.860 8452256 30.505 6.806 1.857 4223770 30.544 2.649 1.409 3789361 30.555 3.011 1.428 7118384 30.565 7.645 1.830 25240270 30.568 3.421 1.418 16790066 30.568 1.980 1.424 13586608 30.579 7.324 2.197 11538456 30.596 2.189 1.419 55009316 30.601 8.851 1.418 6130404 30.615 3.422 2.195 11723838 30.617 8.851 2.193 13029461 30.619 1.185 2.192 43887960 30.628 1.425 2.194 54267668 30.648 7.323 1.423 4470432 30.650 1.185 1.418 32675796 30.658 1.041 2.190 16867258 30.714 1.036 1.415 19035646 30.758 4.250 1.924 7607516 30.758 1.959 1.923 220750400 30.758 1.911 1.964 157775808 30.758 2.165 1.966 15406708 30.758 2.165 1.923 17013508 30.758 1.397 1.966 6409806 30.758 1.397 1.917 6036080 30.774 7.317 1.408 4539934 30.845 7.588 1.708 6729476 30.895 3.624 1.716 12077928 30.955 1.718 2.301 86451296 30.965 2.301 1.711 86967824 30.980 4.262 1.710 16382924 30.985 2.057 1.712 28930716 30.993 3.820 2.300 5444017 30.999 2.052 2.303 29366884 31.002 3.624 2.305 9356456 31.002 4.260 2.299 30633302 31.026 3.818 1.712 10337702 31.090 1.890 2.304 44777564 31.346 7.863 1.850 5475214 31.409 3.154 1.717 10038515 31.410 3.154 1.847 7071103 31.423 1.584 1.725 120516576 31.430 3.094 2.337 8895462 31.483 1.587 1.853 50081248 31.505 1.726 1.854 174047024 31.505 1.877 1.722 123474608 31.508 7.867 1.720 9477835 31.521 4.320 2.333 28959970 31.541 4.187 1.853 11364244 31.541 4.175 1.721 8044896 31.546 4.326 1.971 19875172 31.552 3.442 1.971 4412990 31.584 3.099 1.973 5396822 31.599 3.453 2.332 7832626 31.648 2.335 1.967 113271352 31.755 1.947 2.337 171724288 31.762 2.343 1.950 89717952 31.791 3.834 2.338 6904316 31.791 1.901 2.336 106877656 31.820 3.843 1.943 6135792 31.846 3.578 2.337 7366852 31.850 4.575 2.339 43513976 31.869 4.577 1.942 14185160 32.035 7.205 2.109 7661599 32.040 2.600 2.113 23161640 32.048 1.938 2.490 13095155 32.048 2.068 2.488 10747578 32.048 1.938 2.402 17053664 32.048 2.063 2.400 11290590 32.057 6.882 2.109 7690476 32.058 2.597 1.917 24904394 32.058 1.759 2.112 19562252 32.058 1.759 1.916 48933068 32.064 6.860 1.908 5346580 32.067 2.380 2.490 127374656 32.071 0.598 1.903 5894072 32.084 3.582 1.930 8484447 32.085 3.457 1.350 14342643 32.088 3.458 1.635 16498685 32.092 4.010 1.911 7665916 32.103 1.644 1.348 52401432 32.104 1.775 2.281 20805426 32.107 1.915 2.287 82178096 32.110 1.344 1.636 87557000 32.128 2.286 1.909 92091040 32.134 7.204 1.916 6967199 32.135 4.779 1.635 13213952 32.137 4.240 2.277 6010304 32.142 0.912 2.297 4446143 32.159 4.470 1.907 24261766 32.159 4.227 1.909 5575495 32.159 2.014 2.282 28369660 32.159 2.007 1.909 57342952 32.173 8.754 1.639 3935439 32.175 4.473 2.280 33360108 32.180 3.995 2.278 6744566 32.202 3.805 2.104 7014039 32.255 0.918 1.927 14987861 32.338 3.572 2.110 6918938 32.340 8.623 2.105 5672674 32.341 2.850 1.242 3374576 32.347 8.806 2.812 4245250 32.350 4.635 2.753 11331842 32.350 1.750 2.756 3893842 32.350 1.764 2.812 3158555 32.350 2.106 2.817 4053899 32.355 0.843 1.144 19084302 32.362 8.636 1.926 6823906 32.364 1.487 1.144 16616983 32.370 4.723 1.924 15247166 32.372 4.732 2.104 20538182 32.376 8.784 2.758 4592080 32.382 8.177 1.142 11700892 32.389 4.162 1.143 22475330 32.392 0.839 1.240 13052207 32.394 4.162 1.243 26070670 32.400 1.140 1.240 167191584 32.400 1.244 1.142 171705440 32.401 8.170 1.240 9265560 32.411 2.872 1.151 4769577 32.413 2.098 1.924 161249632 32.413 1.488 1.243 16775733 32.424 4.638 2.810 9597660 32.424 2.754 2.816 58563592 32.424 2.809 2.753 79759168 32.424 6.481 2.816 3474092 32.437 1.924 2.103 122210832 32.526 1.423 1.922 6225547 32.553 6.765 1.146 3290550 32.578 0.913 2.091 86789248 32.591 1.587 2.088 15621900 32.620 4.112 2.091 13426708 32.621 0.454 0.885 44646800 32.629 8.104 2.889 18959978 32.629 0.603 0.885 47805796 32.664 8.462 0.886 15460718 32.674 3.829 0.886 10126297 32.674 5.181 3.535 42416072 32.675 2.896 3.536 93925456 32.676 3.543 2.889 87638528 32.683 0.450 3.537 8792078 32.683 5.182 2.887 31797872 32.704 8.843 0.885 14869984 32.737 0.453 2.888 10481739 32.738 6.779 0.886 3179455 32.751 8.098 3.537 10900996 32.761 4.447 1.937 5084791 32.786 7.978 0.881 5523044 32.793 4.440 2.075 10443845 32.801 8.475 3.538 4423519 33.814 7.164 1.899 9891535 33.817 8.808 1.897 15742726 33.834 3.576 1.898 3570284 33.861 0.913 1.897 14076760 33.861 0.772 1.898 72708056 33.871 4.405 1.896 16494422 33.916 2.759 1.868 4752436 33.948 1.682 1.872 25741692 33.950 8.448 1.867 19217788 33.975 4.178 1.868 42163792 33.982 7.595 1.868 47780488 33.993 1.457 1.869 48068876 34.443 8.122 2.267 3825360 34.448 7.191 2.265 4752426 34.458 8.116 2.291 4344524 34.490 7.169 2.299 4096118 34.494 1.407 2.305 6712588 34.502 1.419 2.258 4818112 34.511 2.049 2.306 37029244 34.526 4.387 2.269 15144346 34.534 0.607 2.263 5273286 34.563 2.048 2.263 36856368 34.590 0.753 2.307 6003382 34.590 7.554 2.305 2308914 34.598 0.611 2.302 5727427 34.610 0.458 2.262 4514253 34.611 4.389 2.304 13731714 34.723 0.759 2.257 4559886 35.264 4.778 1.893 4859050 35.351 4.243 1.898 11171232 35.363 4.238 1.527 7907478 35.371 1.893 1.526 134064792 35.392 1.536 1.897 130937256 35.425 2.991 1.527 5851102 35.428 2.629 1.527 7864528 35.456 2.620 1.897 4646164 36.305 4.263 2.173 7310294 36.305 1.966 2.175 46739556 36.305 1.897 2.172 22105880 36.330 1.979 2.253 77799696 36.396 4.278 2.259 12562965 36.488 8.338 2.265 4224601 36.727 1.424 2.172 13649623 36.745 3.998 1.851 13033065 36.750 1.429 1.851 25066354 36.768 2.169 1.845 53528812 36.777 1.861 2.176 60860700 36.806 7.970 1.852 13151255 36.812 7.993 2.170 15666728 36.872 3.992 2.169 10679784 37.010 7.948 2.510 3570342 37.066 8.621 2.510 17701080 37.073 1.269 2.519 10684009 37.081 8.613 2.104 7849765 37.084 2.515 2.102 75629128 37.119 2.101 2.513 87773040 37.120 3.786 2.510 12692142 37.120 1.918 2.511 22122912 37.120 1.923 2.102 29265844 37.161 3.782 2.099 16080815 37.855 3.420 1.981 5248274 37.869 2.188 1.981 7812611 37.931 7.931 1.982 8544127 37.960 1.430 1.983 8224992 37.972 1.188 1.984 24019252 37.979 6.776 2.651 4570128 38.000 1.036 1.990 37729352 38.003 8.243 1.136 3793286 38.025 6.906 2.653 15868003 38.028 3.728 1.989 9767599 38.031 8.855 1.985 17874972 38.033 1.143 2.656 61179588 38.037 2.658 1.136 54155420 38.038 6.903 1.137 17099966 38.048 9.715 2.656 9863253 38.053 9.714 1.138 11826665 38.071 4.517 1.135 9363896 38.073 4.514 2.653 16846166 38.346 7.934 2.725 17881668 38.380 3.979 2.728 9039481 38.392 7.593 2.723 7935354 38.396 1.863 2.727 7111840 38.436 3.977 2.785 9967049 38.438 4.281 2.728 20898198 38.439 7.930 2.784 17600898 38.447 7.595 2.779 6964016 38.451 4.282 2.788 17353392 38.451 2.792 2.729 171987504 38.451 2.727 2.785 148967920 38.476 5.298 3.521 19119350 38.487 7.203 3.520 19439066 38.502 5.296 2.832 9869113 38.506 3.529 2.829 71413584 38.511 7.202 2.828 20042652 38.512 2.835 3.520 77895544 38.821 7.735 2.703 4223694 38.934 2.659 2.852 96731400 39.001 4.717 2.855 21919232 39.003 7.864 2.858 4309691 39.042 2.857 2.644 98674528 39.043 4.734 2.649 19424024 39.166 7.593 2.867 3512655 39.367 2.161 2.685 4439832 39.847 7.034 2.694 13502504 39.857 7.654 2.914 3465278 39.896 4.829 2.916 13144409 39.897 1.050 2.911 27727942 39.911 3.569 2.915 6530076 39.964 4.433 2.909 3404497 39.970 1.502 2.694 3619257 39.970 7.258 2.700 5250484 39.976 2.701 2.913 47403196 39.981 2.922 2.699 43083260 39.988 7.251 2.916 6641328 39.988 2.062 2.915 5250542 40.002 8.791 2.701 8575299 40.004 7.028 2.916 15484748 40.008 1.509 2.914 6874635 40.018 1.056 2.700 15251704 40.019 4.823 2.693 9756357 40.021 3.538 2.697 4510192 40.028 7.679 2.700 4793084 40.047 8.806 2.916 6210157 40.249 2.924 1.507 8163486 40.323 2.915 2.053 6809222 40.330 8.523 2.049 6520066 40.335 7.261 1.505 16102302 40.345 7.254 2.050 16963696 40.345 2.683 1.510 5052376 40.347 1.524 2.049 31978932 40.347 8.506 1.496 2436236 40.350 1.053 1.511 23179704 40.351 2.044 1.508 32155704 40.351 1.624 2.049 20851740 40.351 1.634 1.508 15611540 40.351 1.169 2.053 14333369 40.351 1.159 1.508 16323987 40.356 1.057 2.053 21507562 40.362 3.499 1.503 13327816 40.376 3.503 2.055 8187874 40.388 3.652 2.059 8921410 41.200 8.210 0.635 10688445 41.200 8.210 0.581 12077088 41.200 4.275 0.631 8052864 41.200 4.275 0.579 10719029 41.200 1.454 0.633 7203944 41.200 1.439 0.583 9864709 41.200 0.775 0.633 13670400 41.200 0.790 0.585 17429480 41.200 0.585 0.637 88663480 41.200 0.635 0.587 97801112 41.382 4.641 2.687 32576930 41.387 2.686 2.686 1322428160 41.392 2.174 2.690 8952017 41.424 7.164 0.608 6392022 41.465 3.954 2.690 3493807 41.930 0.837 2.866 14683342 41.943 4.779 2.859 15087262 41.945 1.501 2.865 59487920 41.983 1.107 2.865 20161662 42.107 4.141 2.872 3873209 42.200 4.320 1.678 11896741 42.200 4.333 1.568 15621649 42.200 8.301 1.555 3318005 42.200 0.904 1.682 15230456 42.200 0.842 1.682 9764195 42.200 0.914 1.574 21178436 42.200 0.849 1.572 14167132 42.200 1.568 1.681 232510304 42.200 1.678 1.566 241434672 42.201 1.264 2.989 31979528 42.201 1.544 2.990 27548546 42.201 1.684 2.990 40645640 42.210 4.772 2.966 17671712 42.238 4.187 2.964 5838502 42.281 8.300 1.680 5903404 42.380 4.769 1.584 7876234 42.428 4.370 1.614 16970870 42.563 2.097 1.612 12714342 42.606 2.694 2.945 9494336 42.644 7.674 2.932 18675418 42.663 7.269 2.933 27290556 42.672 3.152 1.637 6404110 42.673 4.433 2.933 13740151 42.677 7.262 3.525 27441080 42.678 7.684 3.524 16269030 42.680 3.532 2.932 50932720 42.695 2.937 3.527 50046620 42.702 8.194 1.462 9345029 42.703 0.844 1.640 69594648 42.704 3.819 1.621 21067126 42.709 4.427 3.527 14263526 42.712 1.917 1.620 72790848 42.712 3.765 1.622 14050060 42.712 3.771 1.927 14563385 42.716 1.507 3.527 3365106 42.717 1.632 1.463 146604128 42.720 7.879 1.641 31852322 42.720 0.750 1.640 26315318 42.720 0.746 1.462 19381662 42.720 0.794 1.462 44361660 42.720 0.791 1.639 51135092 42.725 7.653 1.923 11135999 42.725 0.928 1.926 22211208 42.727 1.626 1.925 54054252 42.727 8.250 1.626 22941510 42.729 1.470 1.462 174435648 42.730 7.878 1.461 18922716 42.737 1.469 1.642 88499456 42.740 4.205 1.640 30230534 42.741 7.648 1.628 11201911 42.746 4.209 1.463 27537702 42.748 8.248 1.926 23887180 42.752 1.165 3.519 3800255 42.754 0.832 1.462 57402808 42.769 3.804 1.925 18925276 42.779 7.152 1.624 4279854 42.814 4.774 3.534 7322339 42.850 1.167 2.942 4255442 42.856 2.704 3.526 4170536 42.890 1.076 2.942 4050060 43.361 4.052 3.160 12036413 43.399 3.921 3.148 7947161 43.445 0.836 3.158 16505404 43.457 0.838 3.217 10204139 43.470 1.558 3.156 112231240 43.473 4.072 3.220 6098536 43.488 1.541 3.220 63046664 43.488 1.765 3.220 72878808 43.514 4.393 3.161 10908788 43.613 7.873 3.164 4469122 43.665 8.773 1.223 3536278 43.700 0.725 1.220 15503439 43.700 0.730 1.586 12252874 43.714 0.809 1.221 18731738 43.731 9.627 1.221 7469363 43.733 8.779 1.582 13352390 43.737 0.824 1.583 13616225 43.737 1.585 1.219 79347752 43.749 9.619 1.589 3121882 43.757 1.224 1.584 80107232 43.849 5.073 1.222 10220112 43.859 5.085 1.581 9929019 43.914 1.768 2.887 6347420 43.950 7.408 3.279 10955843 43.950 2.599 2.875 6799208 43.954 4.662 2.875 8852573 43.955 3.279 2.881 38040284 43.960 2.618 3.283 5642698 43.974 7.401 2.880 5041114 43.977 8.423 2.877 8480232 43.978 7.211 3.277 21818484 43.979 4.651 3.278 13278998 43.984 2.880 3.277 45280860 43.986 7.208 2.881 22132572 44.000 1.584 3.278 20369176 44.000 1.764 3.276 6571437 44.018 8.420 3.278 4185551 44.025 1.585 2.879 8446477 45.460 8.318 3.940 12587097 45.464 0.905 3.944 20055150 45.494 7.958 3.943 10856059 45.500 8.482 3.941 5002220 46.307 8.488 3.804 5634912 46.444 4.201 3.805 78676760 46.448 3.810 4.197 75479632 46.448 7.977 3.804 34948528 46.460 7.978 4.199 27189124 46.460 1.226 3.807 4914132 46.460 1.233 4.198 2219466 46.460 1.582 3.800 4598928 46.460 7.917 4.199 7841414 46.460 7.910 3.806 12386244 46.699 1.260 3.797 4293443 46.705 7.257 3.838 16366338 46.713 1.802 3.609 10541437 46.737 7.583 3.605 19143580 46.739 3.613 3.838 94614216 46.764 3.844 3.605 108169632 46.768 7.588 3.840 21727342 46.785 7.256 3.607 13378339 46.825 8.062 3.604 4144736 46.847 1.784 3.842 5132596 46.848 7.635 3.795 14167032 46.860 8.616 3.792 15307326 46.870 4.779 3.789 29449940 46.894 2.083 3.793 18052070 46.906 1.599 3.784 6102068 50.114 7.590 3.619 3459034 50.177 1.718 3.623 9322265 50.192 4.258 3.622 6021241 50.197 3.641 3.812 137206208 50.201 3.967 3.812 34499972 50.202 7.598 3.809 4506464 50.214 3.968 3.622 46946708 50.218 4.446 3.620 7080016 50.219 1.887 3.810 23317892 50.222 4.777 3.621 9856550 50.226 3.817 3.624 87049616 50.227 1.888 3.623 17117522 50.257 2.059 3.624 20764756 50.267 8.619 3.814 9254815 50.273 2.305 3.615 5164496 50.287 4.249 3.810 8262750 50.296 2.301 3.807 7623954 50.303 1.725 3.811 9541190 50.320 4.461 3.819 6133036 50.335 8.618 3.614 8608390 50.340 2.050 3.818 20864458 50.469 8.164 3.096 15959262 50.475 4.101 3.097 4567364 50.479 5.281 3.093 18074050 50.480 3.443 3.095 120137432 50.482 5.285 3.438 30532134 50.497 1.903 3.436 47865896 50.500 1.910 3.095 51610972 50.501 3.100 3.436 105482768 50.503 8.146 3.433 7485490 50.513 2.329 3.097 14413144 50.521 4.326 3.093 7105052 50.564 2.335 3.436 7112920 50.589 4.315 3.439 6031489 50.797 3.571 3.834 86989192 50.815 5.075 3.577 26938108 50.822 3.841 3.575 115103272 50.823 8.586 3.575 5574272 50.824 5.073 3.838 50766536 50.825 3.203 3.578 16475861 50.825 1.936 3.838 30512152 50.861 3.206 3.836 16434411 50.961 1.882 3.795 24407330 50.994 0.766 3.794 15350783 51.026 2.096 3.560 23429964 51.032 1.878 3.561 35704616 51.033 4.830 3.792 49760544 51.037 0.770 3.559 23195560 51.045 4.827 3.560 41016096 51.047 1.053 3.791 4133003 51.081 2.099 3.793 31557460 51.380 6.879 4.002 5215554 51.384 6.883 4.229 3834094 51.431 1.751 4.002 14353735 51.431 1.024 4.224 16745304 51.446 4.008 4.227 59059256 51.449 1.756 4.228 16438035 51.457 2.010 4.228 17497682 51.460 4.813 4.229 42014852 51.464 2.270 4.226 3965156 51.467 1.015 4.001 7645596 51.468 4.812 4.002 35091076 51.468 4.231 4.002 58757792 51.482 8.849 4.233 5566818 51.489 2.002 4.000 18505082 51.495 0.597 4.227 4363276 51.549 1.540 5.276 3539922 51.574 4.467 4.014 3174063 51.578 2.279 4.017 5138986 51.644 2.982 5.280 15813739 51.644 3.097 5.282 14982225 51.667 2.617 5.282 22665086 51.670 3.440 5.281 26515098 51.688 1.893 5.284 6823243 51.696 4.773 5.282 11021232 51.709 8.157 5.283 8630790 52.502 1.914 4.349 5013130 52.517 8.317 4.351 16272420 52.689 3.429 4.311 5244581 52.700 1.404 4.355 109684088 52.705 2.617 4.307 4036819 52.729 1.538 4.598 73117120 52.763 7.418 4.598 5550908 52.764 8.129 4.302 19527984 52.764 8.184 4.302 10166353 52.771 1.405 4.305 153416096 52.772 3.089 4.307 4019278 52.776 0.607 5.362 5789892 52.786 3.375 5.362 27869996 52.786 7.643 5.353 3405624 52.800 3.287 5.361 18449608 52.800 8.157 4.302 19527984 52.808 0.772 5.364 3435634 52.808 7.171 4.300 4885737 52.857 7.174 5.359 10271614 52.893 5.360 4.711 10195244 52.906 1.430 5.363 5991064 53.188 4.714 5.378 13833661 53.224 7.844 4.711 7087701 53.262 2.857 4.712 8317180 53.405 2.667 4.715 4883464 53.724 3.559 5.082 6230932 53.727 8.428 5.081 5938050 53.742 3.404 5.079 3728703 53.758 0.726 5.080 29319956 53.772 4.828 5.076 35339736 53.773 9.619 5.078 50430196 53.777 8.778 5.079 6877995 53.778 1.226 5.076 20379200 53.781 1.579 5.078 19198594 53.783 1.929 4.030 4026258 53.791 2.988 5.068 3398875 53.800 0.810 5.079 16974532 53.812 7.209 5.081 5849052 53.883 7.619 4.032 44576372 53.904 1.020 4.033 68780376 53.922 8.588 4.033 18366532 54.500 2.689 4.639 50891768 54.537 7.168 4.081 6317732 54.614 8.197 4.084 3763002 54.616 1.459 4.082 67305392 54.620 0.769 4.082 18407454 54.732 7.943 4.057 10363685 54.738 7.640 4.063 13564188 54.763 1.740 4.060 26380512 54.763 1.822 4.058 24600130 54.774 3.179 4.054 7744430 54.778 1.583 4.057 85295032 54.847 3.480 4.635 3505497 54.907 0.608 4.273 54541868 54.907 7.176 4.277 7602742 54.924 0.769 4.273 65522100 54.940 1.446 4.274 12936830 54.954 8.206 4.274 18323116 55.020 1.615 4.277 5218826 55.136 1.570 4.636 4782056 55.267 2.741 4.644 20415440 55.286 8.799 4.642 32581548 55.286 2.829 4.642 12965033 55.286 8.746 4.643 19776350 55.313 1.618 4.372 52776500 55.313 8.068 4.388 4937016 55.328 0.859 4.368 40893000 55.442 8.310 4.335 7432353 55.442 0.849 4.337 33987652 55.442 0.911 4.337 25300758 55.442 1.568 4.337 32796372 55.442 1.678 4.337 20432188 55.442 1.616 4.337 32220994 55.515 2.245 4.384 59139992 55.523 8.111 4.385 9533518 55.524 7.162 4.384 48425436 55.527 2.040 4.384 28457820 55.600 2.073 4.446 24375620 55.600 1.938 4.450 16108093 55.600 2.403 4.450 7965130 55.807 2.725 4.278 47723404 55.807 2.802 4.277 45769476 55.821 7.933 4.281 28118342 55.850 1.027 4.283 12233192 55.852 7.599 4.281 7529494 56.060 8.745 4.575 11791852 56.088 1.543 4.237 38899956 56.088 7.896 4.244 9900584 56.092 1.897 4.239 73257336 56.124 7.977 4.246 19523574 56.163 3.926 4.575 29026698 56.174 2.175 4.248 14965041 56.177 7.412 4.575 8594514 56.212 4.078 4.576 34767296 56.263 1.630 4.574 6711235 56.815 1.638 4.207 43661204 56.823 8.197 4.208 7423658 56.827 7.881 4.207 26387708 56.827 0.835 4.208 74313144 56.845 1.466 4.207 44978456 56.845 2.082 4.286 35069776 56.854 2.243 4.288 21903496 56.871 1.969 4.288 23079632 56.911 3.973 4.451 61683428 56.938 8.628 4.451 23950520 56.975 3.607 4.448 21577844 56.986 7.030 4.453 7149352 57.094 7.262 4.442 28639346 57.119 8.177 4.152 15942398 57.123 9.718 4.155 7342802 57.124 1.167 4.155 53357192 57.126 1.222 4.154 56542148 57.168 3.552 4.434 22597788 57.172 7.683 4.441 19428000 57.203 2.943 4.429 14823139 57.203 7.657 4.422 15561500 57.305 1.573 4.652 7533644 57.344 2.875 4.656 13369714 57.344 8.414 4.650 5458282 57.363 3.279 4.654 19709340 57.372 7.206 4.650 16657994 57.495 4.726 4.178 6753039 57.500 1.854 4.176 24933538 57.500 1.729 4.174 15393893 57.500 1.554 4.174 9292285 57.515 3.169 4.173 5737886 57.542 7.850 4.176 12812143 57.712 2.657 4.515 32876278 57.716 1.148 4.517 24664436 57.752 6.906 4.516 35238896 57.752 9.702 4.517 13534085 57.763 8.236 4.518 9203787 57.791 3.171 3.486 13937499 57.793 2.668 3.491 9614878 57.795 7.263 3.489 26566410 57.796 2.053 3.491 13157909 57.796 2.166 3.992 13015638 57.796 1.168 3.488 42437176 57.800 7.900 3.993 23659218 57.812 2.937 3.486 5585970 57.812 6.777 4.522 10788673 57.819 3.544 3.994 7259210 57.822 1.615 3.487 12533212 57.830 1.517 3.488 16506656 57.832 7.699 5.297 5999668 57.832 4.416 5.291 19447768 57.837 2.837 5.296 16006181 57.839 7.028 5.296 12540222 57.842 3.529 5.297 33979124 57.849 6.800 3.482 3852958 57.857 7.993 3.991 84600304 57.865 1.433 3.992 22290584 57.870 1.858 3.990 35689848 57.873 7.202 5.296 28479072 57.876 0.768 5.299 9770951 57.910 8.802 5.296 3902982 57.942 2.700 4.599 34330172 57.960 8.813 4.600 23494128 58.073 1.671 4.170 10181970 58.118 8.446 4.169 3673748 58.143 1.870 4.171 53585800 58.147 7.598 4.172 23081726 58.158 1.459 4.172 25515104 58.166 8.576 5.067 3664936 58.187 7.902 5.070 3236166 58.191 8.248 5.072 13894083 58.200 7.316 3.449 6977547 58.210 3.204 5.071 30274738 58.225 3.845 5.072 56089568 58.287 2.595 3.444 15157067 58.288 1.665 3.446 22063656 58.288 8.736 3.444 2472726 58.297 4.777 3.450 6073422 58.299 1.347 3.448 21729952 58.299 1.253 3.449 22024956 58.299 3.593 5.073 25133016 58.299 3.511 5.071 35523236 58.315 3.886 4.446 99051640 58.325 1.630 4.447 4921427 58.332 1.928 5.074 9145164 58.354 2.771 3.435 3992101 58.359 1.415 4.446 9545272 58.377 8.620 3.440 3419068 58.485 7.979 5.174 7110522 58.492 2.897 5.177 41917232 58.528 3.544 5.177 48010896 58.537 8.487 5.178 14165466 58.547 3.830 5.175 5599650 58.554 0.448 5.176 10943218 58.576 0.902 5.178 3287635 58.646 1.462 3.904 11026907 58.673 3.145 3.905 4917828 58.710 7.888 3.908 7513322 58.725 0.774 3.905 9165154 58.740 7.642 3.910 22116000 58.751 1.821 3.908 36713272 58.853 1.568 3.907 15724464 59.029 1.868 4.342 4151931 59.087 7.907 4.353 4303070 59.087 3.821 4.344 36806420 59.087 3.896 4.340 49656272 59.087 8.260 4.354 2181732 59.136 8.304 3.912 3714350 59.141 7.630 3.825 5528068 59.182 0.767 3.822 4478984 59.200 1.809 3.820 12120248 59.203 3.299 3.823 13644535 59.205 6.776 3.823 38522096 59.206 1.021 3.822 27308336 59.227 1.912 3.822 16074730 59.230 1.625 3.823 16467613 59.231 0.608 3.825 4528029 59.236 7.160 3.823 16845966 59.244 8.245 3.822 16453082 59.379 0.833 3.901 3915596 59.381 2.981 2.599 7684330 59.385 7.214 2.597 7703872 59.417 2.866 2.601 6863420 59.426 1.752 2.598 20604536 59.429 8.597 2.604 7553750 59.432 1.912 2.598 13446017 59.446 2.599 2.598 120252328 59.451 2.107 2.594 10317199 59.471 7.312 2.598 13845800 59.471 7.393 2.597 8342232 59.498 7.599 4.275 8549643 59.517 7.409 3.905 6965664 59.524 2.756 4.143 29662848 59.526 4.777 4.148 6537963 59.557 3.154 3.900 9597041 59.560 0.788 4.144 15076595 59.568 3.164 4.275 19540656 59.570 2.981 4.143 20226872 59.583 1.635 4.144 12187405 59.584 7.896 4.143 6619124 59.584 8.233 4.144 11192186 59.585 7.938 3.902 23656736 59.585 1.489 4.142 10992264 59.585 1.863 4.274 17264456 59.586 7.637 3.901 6149514 59.588 2.677 4.275 33685008 59.589 1.540 3.899 19777660 59.597 1.746 3.900 51157448 59.597 1.822 3.898 59578724 59.598 7.274 4.276 19746262 59.598 8.428 4.272 2396008 59.599 1.804 4.149 8489345 59.603 1.440 4.277 4428832 59.606 7.407 4.144 20261682 59.628 2.762 3.974 25668448 59.632 1.571 3.972 19742688 59.640 8.066 3.976 20159600 59.657 1.812 3.973 59274964 59.673 1.193 3.975 8560798 59.677 7.927 3.975 7490840 59.695 7.265 3.978 5056592 59.897 3.781 3.774 261758784 59.910 8.617 3.772 24598634 59.915 1.927 3.774 53900080 59.920 2.092 3.773 49374852 59.923 1.643 3.771 14372821 59.925 2.519 3.772 23300142 59.925 0.937 3.772 21841756 59.928 8.254 3.775 9352947 59.939 7.940 3.773 8070346 60.484 3.090 4.093 4743815 60.629 1.037 4.426 18897496 60.683 2.149 4.099 24006840 60.688 9.709 4.425 5600440 60.694 1.337 4.098 18266620 60.705 1.868 4.098 6219129 60.708 8.630 4.430 12038134 60.709 8.157 4.106 6616356 60.720 1.645 4.436 3636308 60.722 8.439 4.098 14251396 60.764 1.165 4.429 68322240 60.772 8.174 4.429 54728744 60.772 4.164 4.422 6361896 60.794 2.674 4.429 31332876 60.874 8.622 3.672 9592366 60.880 7.263 3.668 6175264 60.889 3.649 4.431 19056272 60.917 4.771 3.572 11737796 60.924 7.265 3.574 11550133 60.924 5.298 4.409 9649864 60.935 8.622 3.574 9236078 60.939 2.898 4.419 4944063 60.954 8.805 4.410 63990092 60.959 0.775 4.411 61193772 60.965 7.174 4.411 24614196 60.967 1.896 4.411 28109494 60.986 7.035 4.409 12231550 61.085 7.047 3.575 3547146 61.189 8.630 4.443 15018587 61.410 7.274 4.449 8953926 61.415 0.913 4.449 36339996 61.431 7.665 4.450 50251020 61.431 7.605 4.451 16382978 61.447 4.720 4.444 34814364 61.447 3.604 4.444 19152126 61.447 2.103 4.452 5049131 61.447 1.918 4.447 4200022 61.447 8.784 4.447 3350339 61.858 7.247 3.640 9930712 61.875 3.614 4.719 6584286 61.878 1.063 3.641 3864477 61.910 7.017 3.633 3755928 61.942 2.054 3.637 8046026 61.983 8.628 3.638 3591435 62.031 4.718 4.715 32592528 62.042 8.627 4.715 12690276 62.050 7.670 4.715 3960070 62.075 2.107 4.715 9808134 62.105 4.442 4.717 9643783 62.113 0.910 4.716 7305117 62.135 1.908 4.715 4046240 62.533 4.999 4.095 4252014 62.548 2.086 4.102 17932656 62.549 0.912 4.101 49512240 62.568 4.115 4.731 22690724 62.661 8.304 4.104 11647667 62.680 1.633 4.097 3721567 63.300 4.355 3.894 39496724 63.300 3.891 3.818 431702048 63.300 3.816 3.896 222979072 63.388 4.347 3.822 46489720 63.501 6.054 3.856 3122458 63.783 5.342 3.839 6225972 63.802 4.777 3.872 49210740 63.847 4.439 3.874 97066664 63.847 8.318 3.880 3744993 64.001 8.833 4.475 5895087 64.012 1.401 3.889 6193606 64.061 1.913 4.471 38841708 64.072 2.279 4.471 60884312 64.072 2.014 4.472 12702431 64.072 1.753 4.472 8482656 64.097 8.586 4.575 9326927 64.144 1.941 4.574 36040212 64.172 2.338 4.574 51493380 64.731 3.100 4.325 12718600 64.745 1.508 4.321 3030063 64.767 2.328 4.324 61174156 64.775 3.438 4.327 8475117 64.776 1.962 4.324 50389336 64.815 8.279 4.327 3683548 64.821 1.033 4.326 6011176 64.842 3.831 4.326 6241761 64.859 8.467 3.820 4669301 64.867 0.453 3.818 64928284 64.868 0.893 3.819 16277388 64.871 8.846 3.820 15277143 64.874 0.601 3.819 60235460 65.306 5.062 3.543 6670081 65.310 0.740 3.550 25114510 65.324 4.822 3.549 44285512 65.325 7.996 3.551 33313176 65.335 8.423 3.544 12410772 65.603 3.635 4.265 11373706 65.645 8.057 4.263 5186124 65.662 3.828 4.262 8174483 65.664 8.513 4.264 8608942 65.665 4.122 4.263 34040432 65.667 1.718 4.262 21144442 65.676 2.053 4.262 10365970 65.678 2.300 4.262 37448032 65.697 1.197 4.262 14470176 65.698 1.881 4.263 16258070 66.275 1.576 4.067 5711466 66.281 2.988 3.421 10114429 66.289 1.181 3.418 11922453 66.300 1.423 3.417 19368408 66.310 1.982 3.417 9934194 66.320 2.191 3.419 12731895 66.323 7.330 3.416 5418749 66.327 4.071 4.067 93243912 66.333 1.037 3.417 31699626 66.337 3.423 3.417 158247936 66.339 6.622 3.417 27854786 66.341 4.570 4.070 22940180 66.341 7.403 3.918 2878587 66.341 7.403 4.065 2462646 66.345 8.161 3.418 10102085 66.354 8.841 3.419 9668477 66.360 4.580 3.916 22299818 66.362 1.556 3.917 4866406 66.371 3.925 4.069 85546048 66.413 2.628 3.421 7193484 66.445 7.244 3.962 3948776 66.462 4.453 3.969 29773160 66.481 7.698 3.967 4493941 66.481 2.062 3.974 2980300 66.481 7.574 3.969 2978743 66.507 3.627 3.969 28291320 66.575 8.620 3.974 7481254 67.321 1.990 3.716 18981036 67.326 7.921 3.718 4151678 67.329 8.505 3.716 18089114 67.339 8.842 3.721 6897522 67.343 1.036 3.714 11494191 67.345 1.188 3.715 88013728 67.352 4.118 3.715 15618137 67.356 7.279 3.720 4732451 67.361 8.068 3.718 8496614 67.381 2.206 3.725 3954110 67.490 1.654 3.718 5814938 68.672 8.493 4.112 20494598 68.676 4.265 4.113 30227706 68.682 8.062 4.114 22159340 68.683 4.119 4.115 156442976 68.683 1.189 4.113 72230168 68.703 1.799 4.116 5117758 68.719 3.712 4.113 8748981 71.571 4.046 3.604 6318133 71.633 7.640 3.604 20800510 71.633 4.451 3.604 21130060 71.633 4.727 3.608 19769302 71.633 2.103 3.600 5177605 71.633 1.911 3.603 4136185 71.633 0.767 3.605 17860642 71.640 0.912 3.605 60178584 ; loop_ _Spectral_dim.ID _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.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 'aliph or aro' . . . . . . 18551 2 2 C 13 'aliph or aro' . . . . . . 18551 2 3 H 1 all . . . . . . 18551 2 stop_ save_ save_NUS_Cnoesy.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode NUS_Cnoesy.list _Spectral_peak_list.Entry_ID 18551 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 19 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY NUS' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 14.088 8.162 1.184 6478918 14.166 2.882 1.188 7167307 14.169 7.925 1.183 8911957 14.177 1.982 1.183 36606940 14.178 1.033 1.182 127043832 14.181 8.850 1.183 16650548 14.182 1.635 1.183 37912184 14.198 2.191 1.183 47114380 14.203 3.413 1.184 13735964 14.205 3.715 1.183 27290934 14.209 6.753 1.185 21798236 14.213 1.414 1.182 53590620 17.754 3.714 1.031 11220406 17.764 4.283 1.032 11611888 17.769 2.616 1.031 15147666 17.777 1.521 1.030 10280484 17.777 6.753 1.031 21359792 17.778 2.192 1.032 27523222 17.781 1.183 1.030 139842848 17.782 8.843 1.029 14710374 17.783 3.417 1.031 43475580 17.784 1.031 1.030 2591164416 17.791 2.985 1.030 26376870 17.793 1.422 1.030 38013996 17.797 1.983 1.030 72468288 17.806 7.929 1.031 15165488 17.825 6.622 1.031 16585173 17.828 6.910 1.031 12370079 18.534 8.196 1.453 9165398 18.578 7.638 1.448 34863148 18.589 4.269 1.444 25069642 18.593 4.079 1.447 85017752 18.593 0.770 1.443 4256851 18.609 1.449 1.448 3906434304 18.612 3.910 1.452 24921556 18.721 2.881 1.579 8690968 18.758 4.056 1.580 102940872 18.759 7.205 1.580 31061696 18.765 7.631 1.581 44784172 18.768 3.276 1.580 24295720 18.777 7.412 1.580 21142770 18.779 7.318 1.580 28725346 18.812 2.602 1.580 7350384 18.952 8.115 1.399 12775839 18.952 2.311 1.391 16547742 18.952 2.267 1.391 11571204 18.983 8.194 1.400 16392872 19.129 4.304 1.394 119610808 19.365 7.412 1.534 16572221 19.381 4.593 1.529 81029416 19.387 8.309 1.406 8982099 19.387 4.350 1.400 101134032 19.387 8.239 1.407 2799735 19.990 3.364 0.762 6925853 20.001 2.014 0.773 7311281 20.019 3.798 0.762 12477160 20.026 2.100 0.766 8151510 20.042 3.905 0.762 13177666 20.054 4.083 0.766 21209106 20.089 7.153 0.764 46559920 20.103 6.688 0.764 15128237 20.105 1.620 0.765 9712531 20.119 8.797 0.765 13279519 20.131 1.896 0.765 61883812 20.169 3.560 0.768 14754479 20.272 1.163 1.010 18330208 20.302 4.031 1.016 69761744 20.302 3.658 1.015 10892044 20.307 8.578 1.016 83553472 20.312 6.798 1.016 29718486 20.324 7.614 1.017 26113384 20.335 6.543 1.016 19080994 20.339 2.671 1.013 16833054 20.340 7.987 1.015 13643004 20.498 3.942 0.906 13923005 20.498 7.942 0.907 6035912 20.884 4.100 0.910 49482264 21.058 6.688 0.772 15700471 21.075 3.393 0.781 8477757 21.110 1.618 0.771 8547383 21.195 7.157 0.773 26038018 21.195 4.083 0.777 8119138 21.195 3.784 0.774 12944487 21.195 1.894 0.771 70809584 21.195 2.092 0.771 7004822 21.195 1.024 0.773 26754350 21.195 0.940 0.770 22378300 21.195 1.442 0.755 4655404 21.269 6.684 0.588 6244211 21.280 4.409 0.772 42673048 21.286 3.597 0.774 20323316 21.291 7.187 0.773 12170344 21.296 3.568 0.772 19617652 21.301 8.796 0.772 16170768 21.324 2.293 0.596 8748699 21.341 2.251 0.594 11402423 21.351 3.385 0.594 18306400 21.359 1.752 0.591 15552936 21.360 2.007 0.595 9588897 21.369 8.836 0.594 55114224 21.374 1.020 0.592 40368092 21.376 3.817 0.594 64463916 21.380 3.294 0.598 9473844 21.383 2.038 0.596 10616725 21.395 0.882 0.593 77038952 21.396 0.930 0.593 38252848 21.400 8.481 0.596 16162620 21.406 6.768 0.593 8660035 21.408 0.451 0.594 156041712 21.420 4.773 0.901 26111340 21.427 7.659 0.906 21235028 21.435 1.909 0.596 13828792 21.445 7.624 0.904 15404297 21.446 7.189 0.596 8611118 21.481 4.448 0.905 43492136 21.481 2.098 0.909 65530260 21.481 1.919 0.902 25766226 21.487 3.605 0.905 73443448 21.489 4.717 0.905 38453864 21.617 8.617 0.908 8210828 21.832 6.883 1.179 13132187 21.859 4.112 1.182 92630536 21.864 4.258 1.180 15888756 21.875 8.059 1.180 15047570 21.879 3.715 1.182 63895236 21.889 7.474 1.182 9807153 21.907 8.512 1.181 23474388 22.072 3.655 1.162 25641728 22.142 7.332 1.157 42127604 22.156 1.047 1.158 145817136 22.161 2.670 1.159 31003052 22.166 3.489 1.158 58303204 22.168 4.427 1.158 59162304 22.178 7.264 1.158 50572828 22.181 3.155 1.160 11724616 22.188 7.668 1.157 5930378 22.204 6.801 1.160 15778395 23.437 4.341 0.852 45077924 23.589 1.626 0.744 18244820 23.589 8.043 0.746 14018527 23.589 8.196 0.745 17221796 23.597 1.460 0.745 27218446 23.600 4.273 0.746 62654720 23.608 1.424 0.743 35427604 23.663 4.207 0.826 73947240 23.666 1.614 0.830 141894336 23.868 1.559 0.732 41455352 23.935 1.216 0.731 28936516 23.954 5.077 0.734 33077516 23.956 3.554 0.733 41431556 24.055 8.167 1.082 7929308 24.067 9.615 0.731 11703338 24.094 1.477 0.834 71758576 24.100 8.175 0.837 9282984 24.109 2.867 1.079 12135579 24.135 1.234 1.078 35315480 24.147 1.487 1.081 18734182 24.161 4.148 1.081 9530624 24.226 2.514 1.246 12110814 24.235 1.745 0.836 26488682 24.238 2.976 1.247 17214072 24.244 7.873 0.840 15349869 24.250 3.796 1.247 7444924 24.263 0.837 1.093 31059474 24.266 1.730 1.244 6152522 24.270 3.446 1.248 18142604 24.274 1.343 1.247 63124444 24.278 8.043 0.785 20001362 24.290 8.192 0.784 10601963 24.305 0.598 0.783 39148364 24.341 1.640 1.248 35678288 24.342 1.540 1.246 16854650 24.359 1.425 0.788 29335200 24.784 1.865 1.445 53704724 24.814 4.168 1.446 21319642 24.818 2.964 1.444 18614838 24.820 7.590 1.449 11400432 24.833 1.639 1.447 88640688 25.031 1.221 0.811 35689652 25.037 1.610 0.906 54505396 25.047 9.616 0.807 9107167 25.443 2.107 0.926 11330441 25.451 6.879 0.933 10742523 25.457 3.375 0.928 10467817 25.508 1.821 0.927 50765660 25.518 4.225 0.931 16388286 25.527 3.820 0.928 20656894 25.538 7.126 0.932 10882836 25.538 3.772 0.928 25806004 25.542 6.683 0.928 8032372 25.550 7.194 0.934 10543780 25.553 6.773 0.928 18303922 25.561 1.918 0.927 56146360 25.566 4.005 0.928 7942954 25.570 7.189 1.021 10359266 25.573 3.270 0.921 9064670 25.578 4.000 1.020 12400793 25.584 8.244 0.928 11678208 25.627 1.744 1.020 20885598 25.640 2.108 1.017 9825075 25.642 7.632 1.019 6131650 25.645 0.593 1.019 45118928 25.649 6.771 1.020 48984280 25.653 1.820 1.020 50659668 25.658 7.137 1.022 16609967 25.663 3.292 1.022 13290977 25.667 3.820 1.021 47487704 25.668 6.879 1.021 8199098 25.668 4.227 1.020 26418768 25.671 2.006 0.922 10856662 25.673 1.919 1.019 33264294 25.684 0.930 1.019 153780768 25.685 3.383 1.019 12740559 25.693 8.578 1.002 13666193 25.707 0.770 1.019 42927560 25.712 6.677 1.018 8230547 25.716 2.016 1.026 15154464 25.722 8.240 1.020 11380496 25.727 1.618 1.023 38210512 25.746 3.606 0.912 8734307 26.187 2.048 1.046 35337740 26.195 1.632 1.045 58404760 26.219 7.658 1.056 4531211 26.233 4.428 1.048 14754238 26.237 7.026 1.047 16851380 26.246 2.699 1.046 20766464 26.250 7.249 1.046 15626161 26.602 4.713 1.858 9318504 26.603 0.769 2.099 12718358 26.608 1.902 2.014 35055240 26.608 4.461 2.005 9019910 26.643 1.858 2.101 105371232 26.647 3.791 2.101 24471370 26.647 2.100 1.857 141579840 26.653 0.767 1.856 18166452 26.665 3.558 1.857 26128496 26.668 3.557 2.100 19641604 26.671 3.788 1.858 19711614 26.672 1.925 2.101 78854312 26.684 4.723 2.101 12209473 26.688 0.936 2.020 6973878 26.690 2.246 2.099 20411414 26.690 1.021 1.744 6831619 26.708 0.597 2.009 8285963 26.744 2.009 1.748 69547432 26.744 1.750 2.011 67581216 26.753 4.224 2.009 16145573 26.753 1.017 2.011 7886760 26.755 0.594 1.746 17748564 26.763 4.229 1.747 13538461 26.837 3.999 2.010 18361082 26.847 2.268 1.748 11875876 26.857 2.279 2.008 15365552 26.961 0.834 1.610 98706496 26.988 1.465 1.614 55713160 26.994 7.875 1.611 20563084 27.069 3.988 1.758 8431424 27.071 0.911 1.625 29991916 27.237 8.766 1.554 10551940 27.255 5.074 1.553 7892462 27.306 1.223 1.552 17571536 27.381 1.920 1.875 163656016 27.381 1.867 1.921 148588992 27.396 4.331 1.915 8998652 27.406 0.820 1.557 29558922 27.406 0.736 1.561 36556592 27.420 3.436 1.920 23784654 27.436 3.434 1.871 19797746 27.481 3.094 1.919 25996086 27.514 3.578 2.009 23370504 27.532 3.583 1.902 14735563 27.537 7.206 1.754 6933356 27.562 3.095 1.884 18961606 27.584 1.750 2.591 23106168 27.584 2.333 1.909 42363932 27.586 4.331 1.872 7197938 27.595 2.054 1.631 12465918 27.600 3.841 1.915 14190399 27.601 8.607 2.590 14862573 27.605 1.047 1.631 31646942 27.610 2.108 1.747 15497466 27.613 3.834 2.011 18261434 27.614 8.609 1.745 7017402 27.617 7.207 2.593 8023276 27.621 2.105 2.588 12764097 27.623 7.317 2.591 19831046 27.625 4.578 1.908 7815730 27.629 2.336 2.011 22988284 27.633 1.169 1.630 37460736 27.633 2.593 1.754 43492608 27.633 3.493 1.625 4354624 27.639 2.610 2.991 17376804 27.648 1.918 2.590 12661475 27.654 7.319 1.754 16470668 27.678 0.929 1.821 38435452 27.697 8.245 1.821 15329407 27.720 1.020 1.820 33161458 27.781 3.230 1.546 30666934 27.787 3.156 1.558 54458348 27.810 3.972 1.558 14048417 27.824 4.140 2.982 12258208 27.840 3.213 1.743 26573376 27.840 4.055 1.742 7966716 27.840 4.061 1.576 5707274 27.844 7.142 2.977 8626859 27.878 7.400 1.739 12074260 27.881 7.398 2.978 33838820 27.889 2.977 2.746 41245816 27.899 2.747 2.980 42771740 27.902 7.940 1.740 20596300 27.923 0.835 1.743 18297498 27.928 8.058 1.777 13407072 27.930 7.398 2.748 23916386 27.932 3.155 1.743 45413784 27.932 3.214 1.522 39110444 27.954 4.099 1.320 12346008 27.959 4.141 2.747 17868600 27.961 8.156 2.141 6685645 27.978 8.240 2.981 17221182 27.978 7.637 1.561 9783055 27.982 3.905 1.552 25928964 27.992 7.635 1.740 16688355 27.999 3.901 1.738 36214988 28.001 8.243 2.744 13495876 28.055 8.433 1.320 17790242 28.061 4.099 2.144 30110322 28.061 2.142 1.320 64412320 28.073 1.320 2.142 86701376 28.086 8.431 2.141 15174718 28.092 0.750 1.425 29241840 28.106 0.590 1.426 21326810 28.108 4.271 1.425 17987524 28.127 0.789 1.425 29827068 28.138 8.192 1.423 14446351 28.142 8.042 1.430 6587252 28.142 0.615 1.425 21418322 28.213 3.620 1.884 17944624 28.216 0.831 1.420 9269685 28.253 4.264 2.057 11341706 28.255 2.301 1.884 37079328 28.267 7.594 2.059 6739148 28.268 3.810 1.884 25710756 28.299 3.622 2.059 25603274 28.301 2.300 2.059 30305316 28.325 1.712 1.883 46429244 28.335 2.058 1.883 117844200 28.341 1.884 2.059 131945120 28.350 3.809 2.060 24020436 28.368 1.711 2.059 37286372 28.422 4.266 1.885 13761253 28.481 1.892 2.607 8802892 28.608 3.418 2.617 7591837 28.612 3.416 2.988 9719980 28.628 2.612 2.988 77264312 28.636 1.030 2.988 24990662 28.642 1.029 2.611 10600370 28.651 6.621 2.990 10687365 28.651 5.277 2.614 22038260 28.656 2.987 2.612 64849424 28.666 1.529 2.614 8833191 28.672 8.153 2.988 11010933 28.680 1.673 1.540 139135040 28.686 5.276 2.990 12870557 28.726 1.249 1.676 23419320 28.726 3.492 2.675 10857442 28.726 4.596 2.691 45801944 28.726 7.984 2.694 10105276 28.726 8.794 2.696 9039915 28.727 8.154 2.620 7856012 28.730 0.733 2.692 8401847 28.753 0.813 2.689 7895038 28.757 1.545 1.676 142754416 28.775 3.446 1.676 12218858 28.789 1.247 1.541 24133556 28.813 4.180 1.644 10194966 28.815 7.177 3.384 10013680 28.824 4.272 2.675 22826060 28.839 6.538 2.660 7527934 28.841 1.024 3.288 8507786 28.849 3.160 2.673 53781296 28.856 1.859 1.654 23349218 28.860 5.362 3.286 11100712 28.860 1.161 3.161 9507443 28.863 2.993 1.542 19305246 28.871 2.964 1.670 42991752 28.879 1.459 1.649 93023896 28.880 4.271 3.158 11521451 28.882 2.672 3.161 53254064 28.885 7.263 3.160 28477536 28.889 3.382 3.284 65610716 28.890 6.774 3.388 9871826 28.899 2.041 3.377 7189973 28.900 3.286 3.383 68929088 28.911 7.263 2.671 27409398 28.915 7.176 3.290 9923875 28.924 5.361 3.384 14378445 28.928 3.824 3.284 5806487 28.931 8.846 3.162 13640119 28.933 8.850 2.675 10702884 28.942 3.819 3.385 6550628 28.946 1.021 3.384 9126129 28.973 7.337 3.163 8305493 28.985 2.038 3.290 6195826 29.005 6.777 3.277 8397851 29.035 0.754 3.388 7417182 29.087 0.596 3.382 15006107 29.096 6.763 1.544 7451564 29.121 0.756 3.285 6692502 29.130 4.161 1.483 12560260 29.131 0.838 1.483 24996224 29.135 1.242 1.484 16443502 29.147 0.597 3.281 11100672 29.179 1.083 1.486 28418316 29.185 4.233 1.537 19128738 29.191 2.862 1.485 57212700 29.201 1.137 1.486 17979516 29.267 6.797 2.668 14576806 29.278 4.235 1.885 33441382 29.284 1.159 2.668 26739774 29.301 7.332 2.668 16075946 29.305 1.887 1.531 135299344 29.315 1.532 1.886 139985472 29.339 4.429 3.660 19466116 29.351 8.579 3.659 18051424 29.353 8.237 3.661 18539360 29.380 1.017 2.668 18342936 29.380 8.165 3.661 7638758 29.386 8.618 3.659 46502228 29.390 3.659 2.667 86298648 29.392 2.667 3.659 110970264 29.396 1.019 3.660 20739092 29.400 1.930 2.082 83484344 29.400 2.082 1.927 86459040 29.404 8.609 1.929 15493271 29.414 8.620 2.667 32895872 29.415 4.430 2.667 25970884 29.416 3.774 2.074 20173326 29.416 2.511 2.077 22741314 29.423 1.158 3.661 15744862 29.425 9.712 3.657 8430352 29.447 3.774 1.926 23017438 29.450 7.938 2.073 16239710 29.485 7.937 1.930 13253050 29.485 8.579 2.668 7461872 29.486 2.511 1.932 15670531 29.493 8.608 2.074 24455730 29.535 7.897 3.498 12928725 29.542 3.495 3.197 63908236 29.549 7.896 3.199 25334032 29.571 3.834 3.195 11787657 29.572 3.574 3.197 23681176 29.598 3.835 3.497 16837710 29.602 5.069 3.197 29976716 29.605 3.197 3.497 67230232 29.610 3.576 3.497 29822468 29.615 5.070 3.495 31861810 30.057 2.078 1.950 218900160 30.057 8.324 1.961 5347861 30.148 1.521 1.744 32898674 30.148 0.829 1.814 9579803 30.148 0.833 1.738 4211095 30.153 1.957 2.084 258633584 30.161 7.935 1.747 30560978 30.165 7.396 1.746 13583385 30.167 4.053 1.819 15522927 30.183 3.895 1.745 30546598 30.184 7.266 1.786 10977200 30.185 8.058 1.791 25162462 30.191 7.935 1.826 34761408 30.203 3.151 1.747 16413233 30.205 8.058 1.838 31899378 30.205 3.839 1.834 8827889 30.205 3.840 1.795 9814795 30.205 3.614 1.845 7363116 30.205 3.615 1.784 8438816 30.206 4.285 2.082 24552476 30.209 7.158 2.219 7512600 30.209 7.981 2.992 10714837 30.209 4.054 1.746 16634942 30.213 3.972 1.789 24586700 30.220 3.210 1.744 15706219 30.220 7.266 1.851 8992706 30.224 7.395 1.815 13164216 30.224 3.216 1.819 16615055 30.232 2.299 2.037 20831974 30.240 1.422 2.989 6866006 30.245 7.930 2.987 13385993 30.246 2.038 2.222 102847888 30.247 4.281 1.953 20305684 30.257 4.379 2.038 16291340 30.260 4.381 2.220 28406620 30.260 8.116 2.036 13649969 30.262 6.802 2.987 24486124 30.268 9.618 2.987 24178734 30.274 7.140 2.986 17749054 30.277 3.397 2.987 66803268 30.280 2.987 3.399 62489192 30.281 2.300 2.221 39754884 30.285 9.617 3.397 27181122 30.287 3.979 1.847 39377496 30.291 7.927 3.397 22986146 30.293 7.975 3.396 16771303 30.294 4.809 3.397 13924109 30.301 6.799 3.399 13777800 30.309 8.486 3.395 7237998 30.315 2.240 1.952 50597704 30.328 8.115 2.221 8039326 30.331 3.151 1.824 38467000 30.340 6.801 1.420 8817784 30.355 7.991 1.422 12725493 30.361 3.900 1.819 59981300 30.368 7.987 1.854 12991820 30.371 7.927 1.852 33287644 30.372 1.859 1.421 95143736 30.380 1.423 1.859 74911112 30.398 2.163 1.853 14929199 30.399 4.809 2.987 20082444 30.411 3.988 1.421 20677968 30.412 8.485 2.987 7175420 30.451 7.924 1.420 21836556 30.473 7.636 1.819 27746378 30.473 0.906 1.821 5221152 30.493 5.820 1.422 7631923 30.581 3.413 1.419 17159820 30.582 1.989 1.421 13718928 30.606 6.621 1.415 11008634 30.627 8.849 2.192 23363502 30.634 1.184 1.418 41028612 30.646 1.029 1.415 29036968 30.654 1.183 2.192 46008044 30.661 2.189 1.417 70444816 30.662 7.334 2.192 12771354 30.662 1.030 2.192 21008778 30.675 1.419 2.191 67628200 30.682 8.851 1.417 10929441 30.685 7.333 1.418 9428959 30.703 4.244 1.923 14305371 30.732 4.248 1.964 15784862 30.764 6.747 1.408 7299510 30.800 3.617 1.707 14018541 30.845 3.626 2.303 9150664 30.880 4.263 1.709 18491644 30.888 3.805 1.709 7919738 30.913 1.710 2.301 122413024 30.930 2.299 1.709 117458872 30.936 4.263 2.300 41767804 30.942 7.574 1.706 7603630 30.959 2.060 1.709 35240428 30.969 2.060 2.302 31786902 30.998 3.812 2.303 9011830 31.106 1.884 2.305 48694068 31.371 1.576 1.853 64021984 31.389 7.854 1.729 13080000 31.409 1.575 1.724 193205488 31.423 1.727 1.853 249132304 31.424 1.849 1.721 240737552 31.457 4.321 1.969 28988504 31.493 4.321 2.332 38515732 31.510 4.181 1.852 20287476 31.542 4.170 1.721 13828968 31.631 2.334 1.958 146993920 31.762 1.955 2.336 180446960 31.762 2.106 1.925 171703744 31.815 4.570 2.337 59900448 31.815 1.908 2.335 86949448 31.824 3.577 1.938 15156157 31.881 4.571 1.940 19724640 31.929 1.755 2.110 18608940 31.955 6.879 2.111 15046301 31.962 2.592 2.111 28118076 32.023 7.209 2.111 10097168 32.036 1.247 1.634 46946196 32.039 2.593 1.916 33263204 32.039 1.751 2.281 17483898 32.044 7.113 2.111 7287839 32.058 7.323 1.924 7343084 32.059 3.567 2.109 10368369 32.067 2.407 2.492 257018048 32.067 2.078 2.489 6550504 32.067 2.071 2.397 6730436 32.071 1.248 1.345 47441612 32.087 1.635 1.345 58082560 32.100 1.346 1.634 70778448 32.100 3.448 1.348 14610956 32.123 3.444 1.634 13717779 32.132 1.753 1.911 48001868 32.135 7.205 1.919 8333690 32.141 8.743 1.350 7088877 32.141 2.011 2.280 23352242 32.143 2.277 1.906 101839192 32.148 8.742 1.636 9647730 32.159 3.782 1.633 4532080 32.160 4.468 2.280 40503844 32.178 4.466 1.907 30162564 32.185 3.798 1.923 14041716 32.191 4.227 2.290 9120611 32.226 8.615 1.923 13926674 32.274 8.773 2.750 4243371 32.284 3.561 1.924 13828465 32.302 4.229 1.916 10302438 32.324 4.436 1.140 6691980 32.332 4.634 2.748 12672765 32.340 2.809 2.753 57788332 32.340 3.789 2.106 10669883 32.342 4.154 1.141 30101310 32.344 2.752 2.811 62424572 32.351 4.634 2.808 11480484 32.362 1.239 1.141 179816000 32.362 1.082 1.141 63732636 32.366 8.813 2.819 5268218 32.368 4.154 1.239 40009532 32.369 1.484 1.240 17676136 32.372 8.168 1.145 15707874 32.372 1.081 1.239 75757088 32.377 1.144 1.240 190519392 32.385 1.482 1.141 15291489 32.388 0.840 1.240 23425074 32.393 0.837 1.142 22316644 32.397 1.640 2.088 10072214 32.402 8.166 1.238 15137125 32.407 8.623 2.104 7390020 32.461 8.810 2.749 5162934 32.504 0.758 2.096 8132111 32.525 0.910 2.091 120130040 32.530 4.100 2.090 27552376 32.633 0.596 0.887 42055128 32.651 0.451 0.887 47859436 32.654 8.482 0.886 24418492 32.672 0.450 2.889 13927656 32.684 8.834 0.887 21258584 32.690 8.094 2.887 17511272 32.706 5.175 3.537 50810428 32.713 2.887 3.535 110199760 32.715 8.484 2.887 7847976 32.717 3.536 2.887 96695952 32.721 5.175 2.887 36502076 32.730 3.815 0.885 13508648 32.734 7.938 2.091 8133470 32.737 8.093 3.535 14695098 32.738 1.932 2.084 139895216 32.744 0.449 3.536 10923419 32.747 8.480 3.534 10876156 32.761 4.445 2.076 19183044 32.761 4.449 1.925 13043173 33.839 7.038 1.897 6919114 33.846 8.793 1.897 28226394 33.851 0.906 1.897 20933238 33.856 0.769 1.896 115194000 33.868 4.409 1.896 24508584 33.886 7.152 1.897 18371650 33.919 1.647 1.867 19316062 33.921 4.272 1.868 18726896 33.952 4.170 1.868 67128704 33.959 1.449 1.867 60701572 33.963 7.589 1.867 75596664 33.965 8.431 1.868 33759712 34.393 0.591 2.257 9783881 34.403 2.039 2.195 -4639795 34.438 4.381 2.262 19479416 34.452 8.117 2.306 4174980 34.466 8.110 2.261 4786818 34.473 7.550 2.308 5572051 34.483 4.381 2.307 17740632 34.500 2.039 2.261 35560484 34.535 2.040 2.304 27562572 34.619 2.469 2.300 8048912 34.836 2.472 2.269 12642112 35.316 4.241 1.893 16583184 35.354 1.890 1.523 168242144 35.360 4.240 1.524 9337951 35.360 1.528 1.895 175180976 35.403 2.612 1.521 9288144 35.404 2.614 1.895 8907706 36.351 2.085 2.246 201258128 36.354 1.964 2.256 66744880 36.758 3.984 2.169 15626941 36.771 1.854 2.177 52911468 36.773 3.990 1.847 9623548 36.818 7.926 1.854 8958726 36.824 7.994 2.169 20860682 36.846 1.424 1.852 30225610 36.852 1.428 2.173 12487138 36.861 7.922 2.173 7819111 36.880 2.164 1.839 39854364 37.032 8.608 2.098 17038982 37.046 2.512 2.101 95450216 37.054 2.104 2.103 203724912 37.064 3.773 2.101 22453604 37.068 8.608 2.513 30601574 37.077 3.773 2.513 18696068 37.081 2.103 2.513 106568672 37.083 1.928 2.101 39925256 37.094 1.930 2.510 25098670 37.096 1.251 2.513 9388004 37.933 1.183 1.984 31866726 37.933 1.421 1.982 5018843 37.950 7.925 1.984 20057546 37.965 1.031 1.984 53303636 37.965 4.272 1.975 4516422 37.978 3.712 1.981 19291512 37.983 8.848 1.984 35722464 37.985 2.185 1.985 12840505 37.987 4.508 1.142 8816100 37.988 3.412 1.983 10556537 38.005 6.906 2.655 29425192 38.016 4.513 2.656 26039396 38.019 2.656 1.143 53186856 38.036 6.905 1.141 18095864 38.040 1.133 2.655 76177752 38.060 9.710 1.139 11567094 38.076 8.240 1.156 4876078 38.093 9.710 2.655 16188613 38.108 8.245 2.657 6488828 38.291 7.483 2.782 6130080 38.343 7.480 2.724 5717686 38.386 3.972 2.785 15235615 38.387 4.280 2.784 27239582 38.393 7.926 2.726 29715786 38.408 4.279 2.725 30823920 38.409 7.927 2.784 28268844 38.412 3.971 2.725 16645258 38.412 7.591 2.782 10750719 38.451 2.785 2.725 183513808 38.451 2.727 2.785 211894624 38.452 7.590 2.729 14707209 38.459 5.289 2.828 14961648 38.468 7.191 2.829 27556826 38.500 2.828 3.518 89874904 38.503 7.193 3.518 31650368 38.506 3.520 2.828 87527464 38.509 5.294 3.519 25426416 38.960 2.662 2.865 168541616 38.962 4.719 2.656 27246900 38.982 7.847 2.859 9442515 38.993 4.719 2.857 27394072 39.007 2.854 2.649 169342816 39.932 1.157 2.910 8424357 39.943 4.824 2.691 10445442 39.949 2.697 2.910 65951816 39.960 2.911 2.696 69822880 39.966 7.027 2.695 19568572 39.970 7.024 2.910 18931598 39.974 1.502 2.691 7208122 39.986 1.047 2.910 43486132 39.997 8.798 2.914 10582871 39.998 4.825 2.910 16417300 39.999 1.046 2.697 27441632 40.013 1.516 2.914 6542580 40.017 8.797 2.695 14153836 40.128 1.159 2.690 6789781 40.244 3.635 2.053 10094217 40.274 2.915 1.505 8082083 40.281 2.047 1.500 26961698 40.282 7.247 2.050 24046602 40.290 1.047 2.049 33534020 40.294 3.488 2.049 14183837 40.296 1.047 1.500 23108456 40.301 8.512 2.049 11147884 40.308 7.247 1.502 11984770 40.312 3.491 1.504 8841477 40.322 1.507 2.049 39266284 40.339 1.162 1.500 20070588 40.340 1.633 2.050 21407954 40.350 1.164 2.052 17385078 40.374 1.628 1.499 19036872 41.200 8.197 0.634 21357598 41.200 8.193 0.582 24124634 41.200 7.171 0.582 8276804 41.200 4.275 0.630 15937272 41.200 4.275 0.578 21875094 41.200 1.431 0.638 9782518 41.200 1.427 0.586 11915196 41.200 0.788 0.626 24422188 41.200 0.788 0.574 16267525 41.200 0.584 0.622 148825952 41.200 0.628 0.582 138230080 41.387 2.686 2.686 1546703744 41.399 4.637 2.683 39496940 41.922 1.142 2.861 9145261 41.973 0.839 2.868 19654882 41.976 1.079 2.866 19997868 42.165 1.247 2.989 25727894 42.200 1.567 1.680 313897760 42.200 1.682 1.572 314825408 42.205 1.544 2.995 29054080 42.567 0.911 1.611 35213900 42.567 4.331 1.675 15567591 42.567 4.331 1.575 11872150 42.567 0.851 1.672 17483402 42.567 0.906 1.669 23385940 42.567 0.854 1.587 28314988 42.567 0.906 1.586 21822030 42.567 4.370 1.616 21852378 42.584 1.503 3.527 9381051 42.620 2.044 2.931 9319136 42.635 7.663 2.933 17386824 42.642 1.818 1.622 38485524 42.644 3.776 1.618 13494441 42.645 4.429 3.525 18226492 42.646 3.525 2.932 55954664 42.646 1.165 3.530 9178980 42.646 1.164 2.931 8484996 42.646 1.048 2.930 5963738 42.646 1.027 3.532 3783939 42.655 4.423 2.926 12559869 42.658 2.929 3.525 62182204 42.659 7.688 3.525 18965392 42.670 7.264 3.524 33566884 42.683 7.637 1.923 15788238 42.687 1.463 1.639 128425248 42.688 7.264 2.933 27875290 42.691 7.874 1.640 46206008 42.691 0.746 1.461 14959449 42.691 0.746 1.640 11510566 42.691 0.780 1.639 18457974 42.691 0.787 1.461 9355881 42.693 1.922 1.620 81850728 42.695 1.821 1.922 38370292 42.698 1.021 1.621 28111504 42.698 0.836 1.637 81305880 42.700 0.928 1.923 29128300 42.713 3.819 1.620 17989808 42.713 1.621 1.923 75501304 42.713 4.143 1.643 13490653 42.714 1.630 1.462 147320640 42.716 3.815 1.923 21024076 42.717 3.775 1.922 19153534 42.718 4.205 1.638 33589012 42.718 1.019 1.923 18435070 42.725 7.874 1.462 27407394 42.726 7.636 1.628 15116697 42.731 0.833 1.462 77127136 42.731 8.243 1.923 41816912 42.752 8.197 1.640 17700544 42.775 8.197 1.459 17200270 43.371 0.840 3.220 8145022 43.439 0.834 3.153 12191570 43.470 1.525 3.219 48478668 43.476 1.745 3.219 55737396 43.490 1.742 3.153 93138376 43.507 1.815 3.153 61959948 43.549 1.562 3.157 84073744 43.555 1.826 3.225 23765478 43.706 0.812 1.582 34932644 43.734 1.219 1.582 99306968 43.745 1.580 1.217 83765896 43.754 5.072 1.579 10712818 43.757 9.615 1.220 10590507 43.760 0.810 1.217 22242006 43.774 5.075 1.218 15950876 43.781 8.764 1.581 16597813 43.788 8.772 1.218 9853057 43.826 0.734 1.217 23971524 43.828 0.735 1.581 15062823 43.910 4.648 3.275 18081416 43.980 7.203 2.877 22616674 43.982 7.205 3.276 24605414 44.004 7.412 3.275 13512035 44.011 1.580 2.877 12488513 44.013 2.880 3.275 47780004 44.022 3.274 2.877 46614688 44.031 8.422 2.878 10029811 44.032 7.415 2.873 8903128 44.034 8.419 3.278 7257886 44.053 7.311 2.877 8342606 44.108 4.649 2.876 10203899 44.116 1.754 2.879 7259659 45.279 8.305 3.956 12526910 45.361 7.939 3.939 16644945 45.385 0.906 3.937 19998020 45.400 8.302 3.922 7546598 45.400 8.056 3.925 5668574 45.408 1.388 3.950 15069807 46.389 7.928 3.796 13744945 46.403 7.978 4.197 32139506 46.404 4.195 3.799 86995304 46.405 3.802 4.198 89746328 46.408 7.976 3.798 43386984 46.433 7.932 4.198 10070576 46.751 7.252 3.603 13590614 46.752 7.252 3.837 20777760 46.754 3.604 3.837 103734064 46.768 3.838 3.603 113468848 46.770 7.576 3.603 19210530 46.777 0.905 3.604 15576769 46.785 7.576 3.837 29565438 46.831 1.937 3.775 12682655 46.884 7.636 3.789 12530427 46.891 8.611 3.781 17312100 46.892 2.084 3.784 16351422 50.210 1.710 3.620 13858303 50.215 1.883 3.619 20934714 50.232 8.618 3.810 12889929 50.235 2.057 3.619 29584310 50.250 8.613 3.621 11036359 50.252 3.961 3.620 34852312 50.255 1.711 3.809 13886183 50.264 3.810 3.619 130191552 50.276 2.058 3.810 31442262 50.276 3.622 3.810 144808176 50.277 2.301 3.618 9494248 50.278 7.575 3.811 6189078 50.278 2.302 3.810 8880218 50.312 3.963 3.810 27651234 50.327 7.579 3.623 6840292 50.398 4.098 3.089 6422283 50.458 8.156 3.436 13986789 50.461 1.921 3.092 41651504 50.465 5.279 3.435 39210952 50.466 8.155 3.093 22995712 50.467 1.920 3.435 39118852 50.468 1.874 3.435 37393380 50.473 3.093 3.435 137645664 50.476 1.874 3.092 27338138 50.478 3.435 3.092 140949104 50.501 4.329 3.095 11275241 50.503 5.279 3.092 13543272 50.526 2.334 3.093 15636088 50.533 2.343 3.434 8687252 50.555 8.429 3.085 6861666 50.776 1.903 3.833 25794244 50.813 1.865 3.795 25558346 50.821 5.070 3.578 46196068 50.824 2.012 3.577 32493820 50.833 2.012 3.837 26673196 50.835 3.197 3.577 21550618 50.841 3.198 3.834 16003666 50.842 5.070 3.838 58722552 50.854 8.579 3.577 10010690 50.900 2.338 3.578 9954725 50.908 2.336 3.837 10702049 50.957 3.560 3.793 172119312 50.970 3.792 3.560 161135760 50.971 2.101 3.791 34529356 50.981 2.100 3.559 31233430 50.993 1.861 3.560 27816552 51.000 4.825 3.791 53687356 51.005 0.771 3.559 29604256 51.009 4.825 3.558 49337748 51.033 0.773 3.790 20609028 51.382 0.931 3.992 8180330 51.415 1.746 4.001 16385421 51.433 0.929 4.228 13674477 51.434 2.272 4.001 7534296 51.435 1.747 4.228 17680182 51.441 2.012 3.999 25819242 51.442 2.014 4.227 21704656 51.454 6.881 4.001 10594722 51.454 4.227 4.000 81950696 51.454 8.834 4.230 10330703 51.459 4.000 4.228 80662344 51.468 4.806 4.000 39574372 51.471 1.020 4.227 24728418 51.475 4.804 4.228 49873400 51.477 1.903 4.228 10169553 51.480 1.890 5.283 8411827 51.483 1.023 4.003 9831090 51.485 7.111 3.999 7203769 51.491 1.906 4.001 11735210 51.517 0.596 4.230 8956515 51.531 6.881 4.224 6542299 51.560 1.914 5.273 6811823 51.607 2.614 5.281 25221790 51.612 3.097 5.278 17119162 51.630 3.433 5.277 33730124 51.702 8.153 5.279 12784165 51.769 2.982 5.280 15530442 52.561 8.314 4.351 26564594 52.561 8.227 4.357 4113949 52.630 1.406 4.356 133554000 52.723 1.530 4.596 73468768 52.737 0.590 5.352 6224306 52.739 7.408 4.594 11221928 52.783 8.116 4.302 27105402 52.806 8.197 4.302 9241325 52.808 7.175 5.360 17333920 52.809 1.394 4.305 181593168 52.819 3.285 5.359 16999410 52.820 3.382 5.359 30979016 52.917 7.639 5.365 7173430 53.212 2.659 4.724 29933128 53.237 2.860 4.722 28707100 53.240 7.854 4.723 39900620 53.692 4.821 5.077 31701226 53.704 7.205 5.080 7815240 53.757 1.578 5.076 17308940 53.760 8.761 5.074 8821236 53.775 0.734 5.077 42630700 53.787 1.222 5.078 22774356 53.790 9.617 5.076 58803860 53.795 0.811 5.076 9670694 53.862 8.423 5.077 11166343 53.932 1.016 4.031 106298696 53.936 8.579 4.030 35952636 53.950 7.614 4.030 78049008 54.558 2.689 4.639 65147764 54.558 8.279 4.629 6300664 54.636 0.765 4.079 27203784 54.644 1.449 4.079 97592120 54.676 8.196 4.080 8340184 54.676 7.632 4.074 22850848 54.704 3.906 4.071 24386692 54.763 7.936 4.055 13024106 54.769 1.746 4.056 25169856 54.805 1.580 4.056 101315104 54.810 1.820 4.059 18567332 54.858 7.403 4.053 7284806 54.858 7.628 4.054 18579980 54.875 7.318 4.053 8071636 54.897 1.426 4.273 18932776 54.936 7.171 4.272 9714416 54.941 1.616 4.270 8195136 54.941 0.588 4.272 42791088 54.941 0.746 4.272 73755824 54.948 8.195 4.273 29212860 54.952 0.610 4.272 42371164 55.207 3.792 4.824 49142028 55.212 3.560 4.824 43282168 55.240 2.908 4.823 20447626 55.260 8.767 4.642 24902452 55.292 0.909 4.367 12227183 55.296 2.692 4.826 14003339 55.301 7.022 4.825 12357925 55.321 2.756 4.638 10670385 55.325 1.599 4.371 41202964 55.325 8.053 4.383 4238178 55.423 8.800 4.826 12462969 55.431 8.308 4.339 10981803 55.439 2.039 4.384 29553444 55.464 0.852 4.344 53047012 55.468 0.909 4.343 17544556 55.469 2.304 4.383 23241516 55.489 1.678 4.337 25265570 55.504 2.222 4.382 47914908 55.520 7.155 4.383 56735420 55.541 8.113 4.384 11146346 55.751 7.925 4.281 37897356 55.761 2.782 4.280 29057438 55.768 7.590 4.278 13620162 55.823 2.724 4.279 36301180 56.018 8.179 4.233 7530427 56.124 1.537 4.241 39809560 56.124 1.884 4.241 74963288 56.124 2.164 4.249 15313616 56.124 1.952 4.249 29065258 56.127 7.411 4.577 13623873 56.153 7.981 4.247 29474222 56.153 8.309 4.250 3868017 56.169 8.742 4.577 22601422 56.199 3.915 4.573 29554838 56.239 4.066 4.575 31228608 56.780 7.875 4.207 39116408 56.783 1.460 4.207 54639868 56.785 1.632 4.207 48890024 56.813 0.829 4.206 91633736 56.828 1.955 4.282 29685354 56.829 2.237 4.286 19101102 56.841 2.082 4.286 40083072 56.841 8.336 4.289 4436510 56.883 8.189 4.206 13440638 56.998 3.963 4.443 46045628 57.007 3.623 4.444 12973460 57.012 8.615 4.445 31591812 57.021 3.931 4.284 11530443 57.112 3.397 4.811 10502315 57.120 5.074 4.822 36521516 57.125 7.663 4.440 19793504 57.137 1.085 4.154 26992482 57.147 3.999 4.810 42162864 57.149 7.257 4.435 28982954 57.150 8.167 4.152 26944030 57.153 4.225 4.808 43330748 57.156 1.242 4.153 65044684 57.156 1.143 4.153 49712164 57.166 9.617 4.816 19305582 57.166 1.923 4.814 8522341 57.189 9.703 4.152 10928888 57.204 0.732 4.826 27124402 57.204 3.555 4.824 47243364 57.205 3.523 4.432 18902574 57.221 7.203 4.823 13137596 57.223 7.020 4.438 9105992 57.228 8.421 4.825 47911164 57.253 7.994 4.826 17797310 57.273 2.982 4.812 15819197 57.276 2.879 4.649 12820795 57.346 7.206 4.652 16272679 57.402 8.424 4.653 9316471 57.419 3.269 4.649 18657772 57.625 1.723 4.178 25284418 57.670 8.234 4.512 8766229 57.712 1.506 3.488 20116850 57.733 2.654 4.514 26435192 57.740 3.157 3.487 17959026 57.741 9.709 4.512 12987101 57.751 8.506 3.489 6735570 57.753 6.905 4.514 34229416 57.768 7.256 3.488 33481062 57.772 2.673 3.488 10664690 57.788 1.136 4.514 12758582 57.796 4.407 5.294 11911935 57.797 1.159 3.487 61707888 57.806 2.042 3.487 11655040 57.806 1.632 3.485 15393625 57.809 3.517 5.294 30868758 57.823 1.047 3.486 12270285 57.826 7.022 5.293 15821711 57.841 2.164 3.988 21563472 57.853 2.828 5.295 18509348 57.867 1.855 3.988 43794016 57.868 7.194 5.295 31883380 57.869 7.687 5.297 6580656 57.871 7.994 3.989 108395584 57.879 1.427 3.989 24356074 57.894 7.926 3.989 28461232 57.926 0.770 5.295 10183291 57.937 8.807 4.597 18623792 57.941 6.798 3.489 6932382 57.951 1.531 4.595 25079272 57.994 2.693 4.599 27613648 58.079 1.866 4.171 88968136 58.147 7.591 4.171 31213104 58.157 1.447 4.170 32591900 58.178 8.430 4.167 9651825 58.208 8.238 5.070 21512084 58.220 3.195 5.070 38514948 58.221 3.834 5.069 73387728 58.229 1.248 3.446 24561824 58.232 3.497 5.070 50427512 58.235 2.589 3.444 18355938 58.236 3.575 5.071 40331860 58.239 1.347 3.447 25769350 58.241 8.606 3.442 7088938 58.242 8.746 3.452 8531617 58.248 7.320 3.446 11626995 58.248 1.642 3.447 21020158 58.248 1.682 3.445 15326664 58.248 1.542 3.444 7575932 58.257 3.879 4.443 75711352 58.373 7.892 5.072 7284034 58.501 7.979 5.178 11112541 58.531 0.451 5.177 13938622 58.534 1.601 4.446 6743536 58.534 8.309 4.433 4905001 58.536 2.887 5.175 48964692 58.551 8.482 5.177 17597406 58.552 3.537 5.177 54207232 58.722 0.763 3.908 15539650 58.749 1.450 3.906 18894150 58.764 4.073 3.906 11792211 58.831 7.638 3.907 33873244 58.841 7.874 3.908 10170972 58.841 1.553 3.906 24611556 58.841 1.828 3.903 39956944 59.029 3.892 4.348 46543068 59.034 3.821 4.348 52384492 59.060 8.193 3.820 8203809 59.156 1.821 3.821 15565555 59.174 1.922 3.821 21681190 59.177 7.173 3.821 11485284 59.189 1.623 3.822 21184308 59.192 3.285 3.819 11814124 59.193 6.772 3.821 49799972 59.196 7.135 3.822 14411558 59.199 0.930 3.822 15384236 59.206 1.020 3.821 37944408 59.219 8.238 3.821 19873418 59.257 7.637 3.820 7986659 59.268 3.154 3.901 15751052 59.306 1.856 4.080 137903 59.400 8.194 4.142 6233047 59.419 1.750 2.594 27333736 59.426 8.607 2.595 12733041 59.432 2.596 2.597 157752816 59.448 7.318 2.597 21977502 59.464 1.918 2.595 19136982 59.471 7.401 2.594 5628654 59.472 2.106 2.594 13465869 59.477 7.206 2.595 9742557 59.479 1.742 3.898 61201824 59.484 1.744 4.139 8359420 59.516 7.876 4.145 8934033 59.536 8.850 4.278 10972393 59.541 0.785 4.144 9033873 59.554 0.744 4.143 18200138 59.554 1.182 3.971 14730805 59.564 7.594 3.975 7150010 59.564 7.263 4.274 28273134 59.568 2.746 4.142 34041924 59.569 7.937 3.897 32490166 59.573 7.268 3.973 10640195 59.574 0.836 4.145 11400221 59.576 7.399 4.142 26317882 59.580 7.592 4.277 11715375 59.581 2.974 4.145 18267934 59.584 2.673 4.275 35778560 59.589 1.563 3.972 24538532 59.596 1.864 4.273 23564608 59.597 1.628 4.144 15694826 59.597 1.821 3.897 57254592 59.598 7.941 3.971 10190597 59.599 8.431 4.274 9573010 59.603 1.912 3.961 4346095 59.618 8.058 3.973 33080432 59.619 1.760 4.010 802044 59.619 2.778 3.972 20584550 59.620 8.239 4.145 7814564 59.623 3.162 4.272 20290612 59.632 2.727 3.973 17932544 59.672 1.439 4.275 8324988 59.687 1.474 4.146 12402920 59.854 7.936 3.770 9538176 59.874 1.926 3.773 50032972 59.886 2.098 3.772 37057264 59.911 8.607 3.773 28984852 59.920 0.926 3.772 23271550 59.930 2.506 3.772 17020466 59.932 1.623 3.774 13740241 59.956 8.240 3.772 11128417 60.588 1.450 4.093 12503114 60.660 2.141 4.098 28012314 60.668 8.156 4.098 8847110 60.675 1.322 4.098 16055476 60.680 8.430 4.097 21724202 60.757 6.861 4.431 5887934 60.768 8.166 4.427 80972928 60.768 1.159 4.427 79481544 60.797 1.047 4.426 24195252 60.798 3.662 4.427 17716844 60.798 2.669 4.428 36813808 60.805 7.325 4.431 5082622 60.820 5.296 4.412 13784391 60.855 7.189 4.410 11399741 60.880 7.030 4.411 13227942 60.882 7.241 3.575 12360123 60.907 0.770 4.410 78536152 60.914 8.795 4.410 78670288 60.916 1.897 4.410 33617224 60.947 3.808 3.576 19739200 60.951 3.665 3.574 150691184 60.960 7.155 4.408 18002728 60.963 3.814 3.661 31196400 60.974 8.616 3.575 16035866 61.003 3.577 3.663 160179200 61.038 8.616 3.665 11425649 61.137 8.619 4.438 39087392 61.137 7.613 4.440 11410258 61.286 3.603 4.439 20822028 61.354 7.661 4.440 53629952 61.369 7.267 4.441 12784758 61.384 0.905 4.439 44018972 61.697 3.949 3.634 11589336 61.697 8.609 3.640 5847464 61.734 2.045 3.639 9729128 61.760 1.507 3.635 7668506 61.827 7.250 3.640 11233196 62.071 8.618 4.719 62804240 62.088 4.719 4.720 201320048 62.089 4.447 4.719 39519032 62.534 2.090 4.100 26456928 62.534 7.932 4.098 5589620 62.572 0.909 4.102 67395064 62.591 8.295 4.100 24899170 63.300 3.815 3.888 346766272 63.300 3.893 3.814 282528704 63.333 4.346 3.892 47702560 63.350 4.348 3.822 51068784 63.841 4.442 3.877 74261048 64.048 2.278 4.468 43742508 64.095 8.833 4.468 6201817 64.106 1.908 4.469 35117652 64.126 2.012 4.469 9954175 64.182 8.579 4.571 11910266 64.196 2.338 4.572 63028524 64.204 1.940 4.572 30497302 64.225 2.000 4.571 11673383 64.740 3.089 4.325 8968387 64.761 8.272 4.321 7907702 64.788 2.333 4.323 58113004 64.804 1.970 4.323 49508616 64.872 8.479 3.814 8600324 64.876 0.594 3.816 65236772 64.889 8.838 3.817 21009906 64.891 0.451 3.817 69788888 64.929 0.886 3.818 16429555 65.307 4.825 3.549 41838424 65.332 7.994 3.547 44694300 65.344 8.424 3.542 17296722 65.611 3.622 4.263 6528506 65.661 1.881 4.262 15055278 65.730 2.299 4.262 49252512 65.745 1.710 4.262 25157014 65.763 1.182 4.263 16914260 65.770 4.112 4.262 40320792 65.803 2.056 4.263 13090391 65.814 8.511 4.262 13430166 66.237 2.609 3.419 8189052 66.270 1.919 3.967 4209698 66.281 7.926 3.414 7478106 66.288 8.154 3.418 16556496 66.296 6.619 3.416 45328928 66.300 7.409 4.067 4155924 66.319 1.030 3.416 52033088 66.320 2.189 3.416 17279344 66.320 8.841 3.416 21020274 66.322 1.450 4.068 11731279 66.326 1.420 3.416 24435112 66.326 7.408 3.920 6179205 66.333 1.992 3.416 13937126 66.336 7.334 3.421 9255941 66.338 1.588 3.911 8542187 66.339 2.991 3.409 15054170 66.349 4.574 4.067 24604192 66.361 1.586 4.070 10133853 66.363 4.576 3.916 28931454 66.370 3.916 4.068 107172600 66.371 4.067 3.915 103353152 66.433 1.180 3.416 18437346 66.467 7.572 3.972 5955034 66.471 4.450 3.965 40388276 66.484 1.531 3.920 6282614 66.486 3.623 3.965 33252356 66.506 7.693 3.965 6295873 66.516 8.614 3.965 12076300 66.520 2.056 3.961 8471850 67.273 4.112 3.714 14885972 67.286 1.035 3.714 14769111 67.313 1.641 3.712 11293852 67.321 1.985 3.714 27705322 67.330 7.926 3.716 10130187 67.332 1.182 3.714 114682568 67.339 8.511 3.714 36010540 67.348 8.055 3.715 11103119 67.355 8.844 3.714 14160527 68.651 1.182 4.113 88878616 68.663 3.716 4.111 11645531 68.671 8.511 4.113 38194432 68.675 8.056 4.114 24720218 68.677 4.262 4.113 32410288 71.611 7.615 3.605 19828908 71.621 0.769 3.604 29815060 71.633 7.661 3.604 17647536 71.639 0.905 3.604 92014936 71.644 4.448 3.604 27560376 ; loop_ _Spectral_dim.ID _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.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 'aliph or aro' . . . . . . 18551 3 2 C 13 'aliph or aro' . . . . . . 18551 3 3 H 1 all . . . . . . 18551 3 stop_ save_ save_Cnoesy_aro.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_aro.list _Spectral_peak_list.Entry_ID 18551 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 118.077 1.183 6.756 10689959 118.114 7.194 6.687 32622708 118.118 6.899 6.756 48995708 118.125 0.763 6.685 8860546 118.127 0.946 6.688 6083486 118.133 1.038 6.754 7780732 118.146 1.894 6.759 4122055 118.155 1.514 6.757 5494968 127.411 6.781 7.137 4572506 127.524 2.986 7.137 6943394 127.592 7.135 7.137 106574160 127.711 7.333 7.333 159952160 127.737 2.192 7.334 5774825 127.758 1.171 7.338 10778856 127.805 1.425 7.337 3094451 127.839 3.165 7.337 3164936 127.853 2.676 7.339 6254663 128.416 1.430 5.822 3394292 128.419 0.601 6.771 4689966 128.424 3.418 6.619 16246573 128.457 0.918 6.776 5819662 128.464 1.423 6.620 6178202 128.483 6.800 5.819 13602136 128.513 2.985 6.623 6301887 128.513 3.828 6.774 15535177 128.516 6.771 6.775 129449904 128.516 3.388 6.772 3860230 128.519 1.024 6.774 9516579 128.539 5.823 5.819 109722704 128.546 7.141 6.772 4927538 128.580 3.292 6.771 5955084 129.400 2.672 6.535 3004615 129.411 6.796 6.540 12038097 129.470 6.544 6.542 81704384 129.486 1.025 6.543 6359920 129.612 7.282 7.285 128408840 130.677 2.989 6.805 8972184 130.691 5.821 6.802 10520406 130.695 1.429 6.808 3563612 130.761 7.212 6.807 10819840 130.861 2.694 6.801 3703178 131.003 6.798 7.270 18181392 131.100 1.023 6.800 6266782 131.189 6.561 6.800 8399956 131.217 7.244 6.802 19048166 131.301 7.025 7.248 16112440 131.309 3.528 7.266 5854509 131.309 2.936 7.268 4140239 131.397 7.661 7.276 3187781 131.397 6.794 7.273 10703859 131.420 4.437 7.264 4493145 131.571 7.237 7.035 20620020 131.572 5.285 7.028 4175158 131.676 4.426 7.032 4096593 131.714 2.934 7.269 5292258 131.757 2.593 7.203 4112332 131.759 4.661 7.209 4913241 131.764 7.026 7.031 140370928 131.770 2.908 7.036 5748399 131.774 1.052 7.037 3155440 131.775 1.162 7.269 5494418 131.824 2.705 7.035 6421958 131.827 3.273 7.208 9674474 131.874 7.208 7.209 229472800 131.876 1.583 7.209 9275798 131.886 2.875 7.207 9755858 131.896 8.430 7.210 5368906 132.093 6.800 7.209 9905046 132.961 6.767 6.907 50059476 132.965 2.653 6.907 8614031 132.977 4.514 6.908 10192573 132.999 1.146 6.907 13535595 133.036 3.525 7.191 7253872 133.046 9.714 6.903 3508028 133.049 7.196 7.194 349818336 133.051 6.690 7.194 23253504 133.072 5.290 7.196 7451754 133.093 0.770 7.194 4403460 133.125 2.833 7.192 7390836 139.122 2.645 7.901 3580098 139.132 3.198 7.896 14615865 139.155 3.499 7.896 6100738 139.534 0.631 8.037 4510940 139.627 0.600 8.091 4453872 139.640 1.427 8.044 6701198 139.653 0.775 8.046 10416924 139.666 3.536 8.094 5747196 139.697 2.891 8.096 11403798 139.713 0.458 8.095 7268239 139.980 1.024 7.986 8900971 140.029 1.338 7.984 4084942 ; loop_ _Spectral_dim.ID _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.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 'aliph or aro' . . . . . . 18551 4 2 C 13 'aliph or aro' . . . . . . 18551 4 3 H 1 all . . . . . . 18551 4 stop_ save_ save_4d_ccnoesy.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode 4d_ccnoesy.list _Spectral_peak_list.Entry_ID 18551 _Spectral_peak_list.ID 5 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $NC_D2O_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 14 _Spectral_peak_list.Experiment_name '4D CC-NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 4 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 w4 Data Height 14.833 14.853 0.916 7.907 376378 15.287 24.057 0.793 8.062 61045 15.334 15.364 1.072 8.060 865897 15.336 15.378 1.121 8.106 727760 15.339 21.118 0.476 8.111 53220 15.396 32.604 2.914 8.108 46498 15.740 15.713 1.008 7.998 746620 15.770 20.293 1.037 7.999 45477 17.791 14.200 1.206 1.049 248460 17.792 24.897 3.436 1.048 109106 17.796 30.749 1.449 1.048 74855 17.813 17.278 1.999 1.047 -185802 17.827 28.667 3.011 1.049 48056 17.862 30.734 2.222 1.049 40612 19.166 31.966 4.336 1.414 -671302 20.069 19.434 4.440 0.785 64357 20.306 33.096 4.053 1.035 -239323 20.573 24.628 3.952 0.925 -49168 20.673 19.188 1.408 0.790 47933 20.856 21.107 4.117 0.929 161884 20.950 32.545 2.101 0.925 260501 21.083 32.611 0.909 0.469 184517 21.087 23.405 3.833 0.470 173746 21.436 19.439 4.444 0.799 118009 21.462 32.615 0.902 0.613 222600 21.479 23.388 3.834 0.615 156159 21.480 25.614 1.032 0.800 59960 21.535 25.626 1.014 0.616 91333 21.603 19.958 4.455 0.923 143518 21.604 30.182 3.620 0.923 228207 21.761 27.164 4.120 1.196 335115 21.774 25.822 3.729 1.197 169311 22.134 14.165 1.180 1.186 157421 22.191 24.335 0.359 1.187 -51182 22.214 29.381 2.691 1.185 64679 22.249 30.683 2.206 1.180 44678 22.254 27.735 1.648 1.184 113548 22.256 16.297 3.508 1.183 135837 22.267 19.360 4.448 1.184 198433 22.267 19.527 1.537 1.179 -61968 22.271 28.173 0.295 1.186 -56200 22.280 19.575 2.057 1.187 -37076 23.437 13.905 4.375 0.869 197954 23.646 13.614 4.286 0.771 161207 23.717 28.142 1.443 0.747 60318 23.722 26.991 1.612 0.849 404226 23.722 21.988 1.495 0.849 -180198 23.733 15.323 4.240 0.846 190720 23.791 27.297 1.595 0.755 114383 23.864 23.753 3.563 0.754 127715 23.871 23.090 1.250 0.757 -67466 23.895 33.042 5.098 0.756 -133319 23.910 15.744 4.843 0.755 91369 24.024 22.071 1.652 0.857 -198444 24.188 24.171 0.162 7.154 559370 24.204 22.538 3.186 0.855 -42334 24.271 20.626 0.619 0.806 -133907 24.295 28.166 1.441 0.799 111538 24.331 24.334 0.361 7.353 608913 24.939 26.990 1.621 0.914 192205 24.956 21.666 1.642 0.918 -212143 24.965 13.951 4.357 0.917 44871 25.031 25.081 5.838 5.831 508795 25.085 25.124 -0.203 6.787 623740 25.094 17.789 3.837 6.788 -131267 25.130 25.598 1.027 6.788 -77786 25.515 27.804 1.841 0.941 112441 25.522 18.353 3.789 0.943 77193 25.553 22.021 1.950 0.943 -79146 25.618 30.783 4.238 1.043 -52027 25.627 25.108 -0.203 1.043 -82295 25.627 21.498 0.617 1.044 90697 25.629 17.820 3.837 1.044 115158 25.638 22.061 1.624 1.043 -81016 25.639 27.758 1.832 1.042 99344 25.653 22.041 1.943 1.044 -46305 26.031 26.030 -0.437 6.550 257496 26.070 27.499 -0.177 6.548 67919 26.214 26.214 0.306 7.293 396247 ; loop_ _Spectral_dim.ID _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.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 all 1 . 8000 . . . 18551 5 2 C 13 all 1 . 4197.272 . . . 18551 5 3 C 13 all 2 . 3121.342 . . . 18551 5 4 H 1 all 2 . 3121.342 . . . 18551 5 stop_ save_