data_15100 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15100 _Entry.Title ; NMR structure of E.coli YfgJ protein modelled with two Zn+2 bound. Northeast Structural Genomics Consortium Target ER317. ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2007-01-12 _Entry.Accession_date 2007-01-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Theresa Ramelot . A. . 15100 2 John Cort . R. . 15100 3 Adelinda Yee . A. . 15100 4 Anthony Semesi . . . 15100 5 Lukin Johnathan . . . 15100 6 Cheryl Arrowsmith . H. . 15100 7 Michael Kennedy . A. . 15100 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' . 15100 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID C3H . 15100 C4 . 15100 C7H . 15100 'two zinc' . 15100 'zinc fingers' . 15100 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15100 spectral_peak_list 1 15100 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 302 15100 '15N chemical shifts' 71 15100 '1H chemical shifts' 478 15100 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 3 . . 2010-05-25 2007-01-12 update BMRB 'update entity name' 15100 2 . . 2009-06-23 2007-01-12 update BMRB 'added time domain data' 15100 1 . . 2007-10-03 2007-01-12 original author 'original release' 15100 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15100 _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 'NMR structure of E.coli YfgJ protein modelled with two Zn+2 bound. Northeast Structural Genomics Consortium Target ER317.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Theresa Ramelot . A. . 15100 1 2 John Cort . R. . 15100 1 3 Adelinda Yee . A. . 15100 1 4 Cheryl Arrowsmith . H. . 15100 1 5 Michael Kennedy . A. . 15100 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'all beta' 15100 1 C3H 15100 1 C4 15100 1 'C4C3H zinc finger' 15100 1 Zn+2 15100 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15100 _Assembly.ID 1 _Assembly.Name 'YfgJ with Zn+2' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'YfgJ protein' 1 $entity_1 A . yes native no no . . . 15100 1 2 '1st Zn+2' 2 $ZN B . yes native no no . . 'C4 coordination' 15100 1 3 '2nd Zn+2' 2 $ZN C . yes native no no . . 'C3H coordination' 15100 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 covalent' SING . 1 protein 1 CYS 35 35 SG . 2 . 2 ZN 1 1 ZN . 1 5 5 SG . 2 . . ZN 15100 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 35 35 HG . 5 CYS SH 15100 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 15100 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'YfgJ protein' _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 ; FCLTLRRRYTMGSSHHHHHH SSGLVPRGSHMELHCPQCQH VLDQDNGHARCRSCGEFIEM KALCPDCHQPLQVLKACGAV DYFCQHGHGLISKKRVEFVL A ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details '30 NON-NATIVE N-TERMINAL RESIDUES (FCLTLRRRYTMGSSHHHHHHSSGLVPRGSH) WERE NOT INCLUDED IN THE STRUCTURE CALCULATION.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _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 8010.390 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 yes SWS P76575 . YfgJ . . . . . . . . . . . . . . 15100 1 2 no PDB 2JNE . "Nmr Structure Of E.Coli Yfgj Modelled With Two Zn+2 Bound. Northeast Structural Genomics Consortium Target Er317" . . . . . 100.00 101 100.00 100.00 3.62e-66 . . . . 15100 1 3 no DBJ BAE76728 . "hypothetical protein [Escherichia coli str. K12 substr. W3110]" . . . . . 70.30 71 100.00 100.00 2.98e-43 . . . . 15100 1 4 no DBJ BAI31784 . "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" . . . . . 70.30 71 97.18 97.18 2.11e-41 . . . . 15100 1 5 no DBJ BAJ44293 . "hypothetical protein ECDH1ME8569_2437 [Escherichia coli DH1]" . . . . . 70.30 71 100.00 100.00 2.98e-43 . . . . 15100 1 6 no DBJ BAL39266 . "predicted protein [Escherichia coli str. K-12 substr. MDS42]" . . . . . 70.30 71 100.00 100.00 2.98e-43 . . . . 15100 1 7 no EMBL CAQ32881 . "predicted protein [Escherichia coli BL21(DE3)]" . . . . . 70.30 71 100.00 100.00 2.98e-43 . . . . 15100 1 8 no EMBL CBJ02173 . "conserved hypothetical protein [Escherichia coli ETEC H10407]" . . . . . 70.30 71 100.00 100.00 2.98e-43 . . . . 15100 1 9 no EMBL CCP95953 . "Hypothetical protein yfgJ [Escherichia coli O10:K5(L):H4 str. ATCC 23506]" . . . . . 70.30 71 100.00 100.00 2.98e-43 . . . . 15100 1 10 no EMBL CCQ02273 . "Hypothetical protein yfgJ [Escherichia coli O5:K4(L):H4 str. ATCC 23502]" . . . . . 70.30 71 100.00 100.00 2.98e-43 . . . . 15100 1 11 no EMBL CDJ72855 . "hypothetical protein BN896_2274 [Escherichia coli str. K-12 substr. MC4100]" . . . . . 70.30 71 100.00 100.00 2.98e-43 . . . . 15100 1 12 no GB AAC75563 . "DUF1407 family protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 70.30 71 100.00 100.00 2.98e-43 . . . . 15100 1 13 no GB ABV17482 . "conserved hypothetical protein [Escherichia coli O139:H28 str. E24377A]" . . . . . 70.30 71 97.18 97.18 2.11e-41 . . . . 15100 1 14 no GB ACB03662 . "predicted protein [Escherichia coli str. K-12 substr. DH10B]" . . . . . 70.30 71 100.00 100.00 2.98e-43 . . . . 15100 1 15 no GB ACD09416 . "conserved hypothetical protein [Shigella boydii CDC 3083-94]" . . . . . 70.30 71 97.18 97.18 2.11e-41 . . . . 15100 1 16 no GB ACR64901 . "predicted protein [Escherichia coli BW2952]" . . . . . 70.30 71 100.00 100.00 2.98e-43 . . . . 15100 1 17 no REF NP_417005 . "DUF1407 family protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 70.30 71 100.00 100.00 2.98e-43 . . . . 15100 1 18 no REF WP_001295478 . "hypothetical protein [Escherichia coli]" . . . . . 70.30 71 98.59 98.59 3.56e-42 . . . . 15100 1 19 no REF WP_001297332 . "MULTISPECIES: hypothetical protein [Enterobacteriaceae]" . . . . . 70.30 71 97.18 97.18 2.11e-41 . . . . 15100 1 20 no REF WP_001301158 . "MULTISPECIES: DUF1407 domain-containing protein [Proteobacteria]" . . . . . 70.30 71 100.00 100.00 2.98e-43 . . . . 15100 1 21 no REF WP_001341056 . "hypothetical protein [Escherichia coli]" . . . . . 70.30 71 98.59 100.00 1.02e-42 . . . . 15100 1 22 no SP P76575 . "RecName: Full=Uncharacterized protein YfgJ" . . . . . 70.30 71 100.00 100.00 2.98e-43 . . . . 15100 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID unknown 15100 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 -29 PHE . 15100 1 2 -28 CYS . 15100 1 3 -27 LEU . 15100 1 4 -26 THR . 15100 1 5 -25 LEU . 15100 1 6 -24 ARG . 15100 1 7 -23 ARG . 15100 1 8 -22 ARG . 15100 1 9 -21 TYR . 15100 1 10 -20 THR . 15100 1 11 -19 MET . 15100 1 12 -18 GLY . 15100 1 13 -17 SER . 15100 1 14 -16 SER . 15100 1 15 -15 HIS . 15100 1 16 -14 HIS . 15100 1 17 -13 HIS . 15100 1 18 -12 HIS . 15100 1 19 -11 HIS . 15100 1 20 -10 HIS . 15100 1 21 -9 SER . 15100 1 22 -8 SER . 15100 1 23 -7 GLY . 15100 1 24 -6 LEU . 15100 1 25 -5 VAL . 15100 1 26 -4 PRO . 15100 1 27 -3 ARG . 15100 1 28 -2 GLY . 15100 1 29 -1 SER . 15100 1 30 0 HIS . 15100 1 31 1 MET . 15100 1 32 2 GLU . 15100 1 33 3 LEU . 15100 1 34 4 HIS . 15100 1 35 5 CYS . 15100 1 36 6 PRO . 15100 1 37 7 GLN . 15100 1 38 8 CYS . 15100 1 39 9 GLN . 15100 1 40 10 HIS . 15100 1 41 11 VAL . 15100 1 42 12 LEU . 15100 1 43 13 ASP . 15100 1 44 14 GLN . 15100 1 45 15 ASP . 15100 1 46 16 ASN . 15100 1 47 17 GLY . 15100 1 48 18 HIS . 15100 1 49 19 ALA . 15100 1 50 20 ARG . 15100 1 51 21 CYS . 15100 1 52 22 ARG . 15100 1 53 23 SER . 15100 1 54 24 CYS . 15100 1 55 25 GLY . 15100 1 56 26 GLU . 15100 1 57 27 PHE . 15100 1 58 28 ILE . 15100 1 59 29 GLU . 15100 1 60 30 MET . 15100 1 61 31 LYS . 15100 1 62 32 ALA . 15100 1 63 33 LEU . 15100 1 64 34 CYS . 15100 1 65 35 PRO . 15100 1 66 36 ASP . 15100 1 67 37 CYS . 15100 1 68 38 HIS . 15100 1 69 39 GLN . 15100 1 70 40 PRO . 15100 1 71 41 LEU . 15100 1 72 42 GLN . 15100 1 73 43 VAL . 15100 1 74 44 LEU . 15100 1 75 45 LYS . 15100 1 76 46 ALA . 15100 1 77 47 CYS . 15100 1 78 48 GLY . 15100 1 79 49 ALA . 15100 1 80 50 VAL . 15100 1 81 51 ASP . 15100 1 82 52 TYR . 15100 1 83 53 PHE . 15100 1 84 54 CYS . 15100 1 85 55 GLN . 15100 1 86 56 HIS . 15100 1 87 57 GLY . 15100 1 88 58 HIS . 15100 1 89 59 GLY . 15100 1 90 60 LEU . 15100 1 91 61 ILE . 15100 1 92 62 SER . 15100 1 93 63 LYS . 15100 1 94 64 LYS . 15100 1 95 65 ARG . 15100 1 96 66 VAL . 15100 1 97 67 GLU . 15100 1 98 68 PHE . 15100 1 99 69 VAL . 15100 1 100 70 LEU . 15100 1 101 71 ALA . 15100 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 . PHE 1 1 15100 1 . CYS 2 2 15100 1 . LEU 3 3 15100 1 . THR 4 4 15100 1 . LEU 5 5 15100 1 . ARG 6 6 15100 1 . ARG 7 7 15100 1 . ARG 8 8 15100 1 . TYR 9 9 15100 1 . THR 10 10 15100 1 . MET 11 11 15100 1 . GLY 12 12 15100 1 . SER 13 13 15100 1 . SER 14 14 15100 1 . HIS 15 15 15100 1 . HIS 16 16 15100 1 . HIS 17 17 15100 1 . HIS 18 18 15100 1 . HIS 19 19 15100 1 . HIS 20 20 15100 1 . SER 21 21 15100 1 . SER 22 22 15100 1 . GLY 23 23 15100 1 . LEU 24 24 15100 1 . VAL 25 25 15100 1 . PRO 26 26 15100 1 . ARG 27 27 15100 1 . GLY 28 28 15100 1 . SER 29 29 15100 1 . HIS 30 30 15100 1 . MET 31 31 15100 1 . GLU 32 32 15100 1 . LEU 33 33 15100 1 . HIS 34 34 15100 1 . CYS 35 35 15100 1 . PRO 36 36 15100 1 . GLN 37 37 15100 1 . CYS 38 38 15100 1 . GLN 39 39 15100 1 . HIS 40 40 15100 1 . VAL 41 41 15100 1 . LEU 42 42 15100 1 . ASP 43 43 15100 1 . GLN 44 44 15100 1 . ASP 45 45 15100 1 . ASN 46 46 15100 1 . GLY 47 47 15100 1 . HIS 48 48 15100 1 . ALA 49 49 15100 1 . ARG 50 50 15100 1 . CYS 51 51 15100 1 . ARG 52 52 15100 1 . SER 53 53 15100 1 . CYS 54 54 15100 1 . GLY 55 55 15100 1 . GLU 56 56 15100 1 . PHE 57 57 15100 1 . ILE 58 58 15100 1 . GLU 59 59 15100 1 . MET 60 60 15100 1 . LYS 61 61 15100 1 . ALA 62 62 15100 1 . LEU 63 63 15100 1 . CYS 64 64 15100 1 . PRO 65 65 15100 1 . ASP 66 66 15100 1 . CYS 67 67 15100 1 . HIS 68 68 15100 1 . GLN 69 69 15100 1 . PRO 70 70 15100 1 . LEU 71 71 15100 1 . GLN 72 72 15100 1 . VAL 73 73 15100 1 . LEU 74 74 15100 1 . LYS 75 75 15100 1 . ALA 76 76 15100 1 . CYS 77 77 15100 1 . GLY 78 78 15100 1 . ALA 79 79 15100 1 . VAL 80 80 15100 1 . ASP 81 81 15100 1 . TYR 82 82 15100 1 . PHE 83 83 15100 1 . CYS 84 84 15100 1 . GLN 85 85 15100 1 . HIS 86 86 15100 1 . GLY 87 87 15100 1 . HIS 88 88 15100 1 . GLY 89 89 15100 1 . LEU 90 90 15100 1 . ILE 91 91 15100 1 . SER 92 92 15100 1 . LYS 93 93 15100 1 . LYS 94 94 15100 1 . ARG 95 95 15100 1 . VAL 96 96 15100 1 . GLU 97 97 15100 1 . PHE 98 98 15100 1 . VAL 99 99 15100 1 . LEU 100 100 15100 1 . ALA 101 101 15100 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15100 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 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 . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 15100 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 15100 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . . organism . 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . . . YfgJ . . . . 15100 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 15100 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . pET . . . . . . 15100 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 15100 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; _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=1/Zn/q+2 INCHI InChi 1 15100 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 15100 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 15100 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15100 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(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15100 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 . N . 2 . . . . no no . . . . . . . . . . . . . . . 15100 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15100 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-100% 13C]' . . 1 $entity_1 . . 1 . . mM 0.2 . . . 15100 1 2 TRIS 'natural abundance' . . . . . . 10 . . mM 1 . . . 15100 1 3 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM 5 . . . 15100 1 4 'ZINC ION' 'natural abundance' . . 2 $ZN . . 10 . . uM 1 . . . 15100 1 5 DTT 'natural abundance' . . . . . . 10 . . mM 1 . . . 15100 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % 0.001 . . . 15100 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15100 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 1 mM 15100 1 pH 7.3 0.2 pH 15100 1 pressure 1 . atm 15100 1 temperature 298 1 K 15100 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15100 _Software.ID 1 _Software.Name AutoStruct _Software.Version 2.1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Swapana, Rajan, Ke, Xia, Shukla, Inouye and Montelione' . . 15100 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15100 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15100 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version 2.15.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15100 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15100 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15100 _Software.ID 3 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15100 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15100 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15100 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15100 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15100 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15100 _Software.ID 5 _Software.Name NMRPipe _Software.Version linux9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15100 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15100 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_nmr_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode nmr_spectrometer_1 _NMR_spectrometer.Entry_ID 15100 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'at PNNL' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_nmr_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode nmr_spectrometer_2 _NMR_spectrometer.Entry_ID 15100 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'at PNNL' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_nmr_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode nmr_spectrometer_3 _NMR_spectrometer.Entry_ID 15100 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'at PNNL' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15100 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 'at PNNL' . . 15100 1 2 spectrometer_2 Varian INOVA . 750 'at PNNL' . . 15100 1 3 spectrometer_3 Varian INOVA . 800 'at PNNL' . . 15100 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 15100 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' yes 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $nmr_spectrometer_2 . . . . . . . . . . . . . . . . 15100 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 15100 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $nmr_spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15100/timedomain_data/nesg_bmrb15100/er317_n15_noesy_4_18_06.fid/' . . . . . . . 15100 1 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15100/timedomain_data/nesg_bmrb15100/er317_n15_noesy_4_18_06.fid/' . . . . . . . 15100 1 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15100/timedomain_data/nesg_bmrb15100/er317_n15_noesy_4_18_06.fid/' . . . . . . . 15100 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 15100 _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 . indirect 0.251449530 . . . . . . . . . 15100 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15100 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15100 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 15100 _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 '3D 1H-15N NOESY' . . . 15100 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $SPARKY . . 15100 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 31 31 MET H H 1 8.21 0.02 . 1 . . . . 1 MET H . 15100 1 2 . 1 1 31 31 MET HA H 1 4.43 0.02 . 1 . . . . 1 MET HA . 15100 1 3 . 1 1 31 31 MET HB2 H 1 1.99 0.02 . 2 . . . . 1 MET HB2 . 15100 1 4 . 1 1 31 31 MET HB3 H 1 2.08 0.02 . 2 . . . . 1 MET HB3 . 15100 1 5 . 1 1 31 31 MET HG2 H 1 2.46 0.02 . 1 . . . . 1 MET HG2 . 15100 1 6 . 1 1 31 31 MET HG3 H 1 2.46 0.02 . 1 . . . . 1 MET HG3 . 15100 1 7 . 1 1 31 31 MET C C 13 175.4 0.2 . 1 . . . . 1 MET C . 15100 1 8 . 1 1 31 31 MET CA C 13 55.3 0.2 . 1 . . . . 1 MET CA . 15100 1 9 . 1 1 31 31 MET CB C 13 32.8 0.2 . 1 . . . . 1 MET CB . 15100 1 10 . 1 1 31 31 MET CG C 13 31.9 0.2 . 1 . . . . 1 MET CG . 15100 1 11 . 1 1 31 31 MET N N 15 120.8 0.2 . 1 . . . . 1 MET N . 15100 1 12 . 1 1 32 32 GLU H H 1 8.37 0.02 . 1 . . . . 2 GLU H . 15100 1 13 . 1 1 32 32 GLU HA H 1 4.28 0.02 . 1 . . . . 2 GLU HA . 15100 1 14 . 1 1 32 32 GLU HB2 H 1 1.9 0.02 . 1 . . . . 2 GLU HB2 . 15100 1 15 . 1 1 32 32 GLU HB3 H 1 1.9 0.02 . 1 . . . . 2 GLU HB3 . 15100 1 16 . 1 1 32 32 GLU HG2 H 1 2.16 0.02 . 2 . . . . 2 GLU HG2 . 15100 1 17 . 1 1 32 32 GLU HG3 H 1 2.25 0.02 . 2 . . . . 2 GLU HG3 . 15100 1 18 . 1 1 32 32 GLU C C 13 175.1 0.2 . 1 . . . . 2 GLU C . 15100 1 19 . 1 1 32 32 GLU CA C 13 56.1 0.2 . 1 . . . . 2 GLU CA . 15100 1 20 . 1 1 32 32 GLU CB C 13 30.7 0.2 . 1 . . . . 2 GLU CB . 15100 1 21 . 1 1 32 32 GLU CG C 13 36.5 0.2 . 1 . . . . 2 GLU CG . 15100 1 22 . 1 1 32 32 GLU N N 15 122.2 0.2 . 1 . . . . 2 GLU N . 15100 1 23 . 1 1 33 33 LEU H H 1 8.53 0.02 . 1 . . . . 3 LEU H . 15100 1 24 . 1 1 33 33 LEU HA H 1 4.6 0.02 . 1 . . . . 3 LEU HA . 15100 1 25 . 1 1 33 33 LEU HB2 H 1 1.3 0.02 . 2 . . . . 3 LEU HB2 . 15100 1 26 . 1 1 33 33 LEU HB3 H 1 1.57 0.02 . 2 . . . . 3 LEU HB3 . 15100 1 27 . 1 1 33 33 LEU HG H 1 1.63 0.02 . 1 . . . . 3 LEU HG . 15100 1 28 . 1 1 33 33 LEU HD11 H 1 0.75 0.02 . 1 . . . . 3 LEU HD1 . 15100 1 29 . 1 1 33 33 LEU HD12 H 1 0.75 0.02 . 1 . . . . 3 LEU HD1 . 15100 1 30 . 1 1 33 33 LEU HD13 H 1 0.75 0.02 . 1 . . . . 3 LEU HD1 . 15100 1 31 . 1 1 33 33 LEU HD21 H 1 0.87 0.02 . 1 . . . . 3 LEU HD2 . 15100 1 32 . 1 1 33 33 LEU HD22 H 1 0.87 0.02 . 1 . . . . 3 LEU HD2 . 15100 1 33 . 1 1 33 33 LEU HD23 H 1 0.87 0.02 . 1 . . . . 3 LEU HD2 . 15100 1 34 . 1 1 33 33 LEU C C 13 175.7 0.2 . 1 . . . . 3 LEU C . 15100 1 35 . 1 1 33 33 LEU CA C 13 53.7 0.2 . 1 . . . . 3 LEU CA . 15100 1 36 . 1 1 33 33 LEU CB C 13 44.8 0.2 . 1 . . . . 3 LEU CB . 15100 1 37 . 1 1 33 33 LEU CG C 13 26.9 0.2 . 1 . . . . 3 LEU CG . 15100 1 38 . 1 1 33 33 LEU CD1 C 13 25.9 0.02 . 1 . . . . 3 LEU CD1 . 15100 1 39 . 1 1 33 33 LEU CD2 C 13 23.4 0.02 . 1 . . . . 3 LEU CD2 . 15100 1 40 . 1 1 33 33 LEU N N 15 123.5 0.2 . 1 . . . . 3 LEU N . 15100 1 41 . 1 1 34 34 HIS H H 1 8.42 0.02 . 1 . . . . 4 HIS H . 15100 1 42 . 1 1 34 34 HIS HA H 1 4.82 0.02 . 1 . . . . 4 HIS HA . 15100 1 43 . 1 1 34 34 HIS HB2 H 1 2.65 0.02 . 2 . . . . 4 HIS HB2 . 15100 1 44 . 1 1 34 34 HIS HB3 H 1 2.79 0.02 . 2 . . . . 4 HIS HB3 . 15100 1 45 . 1 1 34 34 HIS HD2 H 1 6.87 0.02 . 1 . . . . 4 HIS HD2 . 15100 1 46 . 1 1 34 34 HIS C C 13 173.5 0.2 . 1 . . . . 4 HIS C . 15100 1 47 . 1 1 34 34 HIS CA C 13 55.3 0.2 . 1 . . . . 4 HIS CA . 15100 1 48 . 1 1 34 34 HIS CB C 13 32.3 0.2 . 1 . . . . 4 HIS CB . 15100 1 49 . 1 1 34 34 HIS CD2 C 13 120.8 0.2 . 1 . . . . 4 HIS CD2 . 15100 1 50 . 1 1 34 34 HIS N N 15 119.6 0.2 . 1 . . . . 4 HIS N . 15100 1 51 . 1 1 35 35 CYS H H 1 9.32 0.02 . 1 . . . . 5 CYS H . 15100 1 52 . 1 1 35 35 CYS HA H 1 4.31 0.02 . 1 . . . . 5 CYS HA . 15100 1 53 . 1 1 35 35 CYS HB2 H 1 3.11 0.02 . 2 . . . . 5 CYS HB2 . 15100 1 54 . 1 1 35 35 CYS HB3 H 1 3.21 0.02 . 2 . . . . 5 CYS HB3 . 15100 1 55 . 1 1 35 35 CYS CA C 13 57.3 0.2 . 1 . . . . 5 CYS CA . 15100 1 56 . 1 1 35 35 CYS CB C 13 31.9 0.2 . 1 . . . . 5 CYS CB . 15100 1 57 . 1 1 35 35 CYS N N 15 125.6 0.2 . 1 . . . . 5 CYS N . 15100 1 58 . 1 1 36 36 PRO HA H 1 4.46 0.02 . 1 . . . . 6 PRO HA . 15100 1 59 . 1 1 36 36 PRO HB2 H 1 2.08 0.02 . 2 . . . . 6 PRO HB2 . 15100 1 60 . 1 1 36 36 PRO HB3 H 1 2.4 0.02 . 2 . . . . 6 PRO HB3 . 15100 1 61 . 1 1 36 36 PRO HG2 H 1 2.14 0.02 . 1 . . . . 6 PRO HG2 . 15100 1 62 . 1 1 36 36 PRO HG3 H 1 2.14 0.02 . 1 . . . . 6 PRO HG3 . 15100 1 63 . 1 1 36 36 PRO HD2 H 1 3.94 0.02 . 2 . . . . 6 PRO HD2 . 15100 1 64 . 1 1 36 36 PRO HD3 H 1 4.13 0.02 . 2 . . . . 6 PRO HD3 . 15100 1 65 . 1 1 36 36 PRO C C 13 177 0.2 . 1 . . . . 6 PRO C . 15100 1 66 . 1 1 36 36 PRO CA C 13 64.2 0.2 . 1 . . . . 6 PRO CA . 15100 1 67 . 1 1 36 36 PRO CB C 13 32.3 0.2 . 1 . . . . 6 PRO CB . 15100 1 68 . 1 1 36 36 PRO CG C 13 27.4 0.2 . 1 . . . . 6 PRO CG . 15100 1 69 . 1 1 36 36 PRO CD C 13 51.5 0.2 . 1 . . . . 6 PRO CD . 15100 1 70 . 1 1 37 37 GLN H H 1 9.28 0.02 . 1 . . . . 7 GLN H . 15100 1 71 . 1 1 37 37 GLN HA H 1 4.51 0.02 . 1 . . . . 7 GLN HA . 15100 1 72 . 1 1 37 37 GLN HB2 H 1 2.18 0.02 . 2 . . . . 7 GLN HB2 . 15100 1 73 . 1 1 37 37 GLN HB3 H 1 2.28 0.02 . 2 . . . . 7 GLN HB3 . 15100 1 74 . 1 1 37 37 GLN HG2 H 1 2.33 0.02 . 2 . . . . 7 GLN HG2 . 15100 1 75 . 1 1 37 37 GLN HG3 H 1 2.38 0.02 . 2 . . . . 7 GLN HG3 . 15100 1 76 . 1 1 37 37 GLN HE21 H 1 7.74 0.02 . 2 . . . . 7 GLN HE21 . 15100 1 77 . 1 1 37 37 GLN HE22 H 1 6.84 0.02 . 2 . . . . 7 GLN HE22 . 15100 1 78 . 1 1 37 37 GLN C C 13 177.6 0.2 . 1 . . . . 7 GLN C . 15100 1 79 . 1 1 37 37 GLN CA C 13 57.4 0.2 . 1 . . . . 7 GLN CA . 15100 1 80 . 1 1 37 37 GLN CB C 13 29.9 0.2 . 1 . . . . 7 GLN CB . 15100 1 81 . 1 1 37 37 GLN CG C 13 33.6 0.2 . 1 . . . . 7 GLN CG . 15100 1 82 . 1 1 37 37 GLN CD C 13 179.8 0.2 . 1 . . . . 7 GLN CD . 15100 1 83 . 1 1 37 37 GLN N N 15 119.8 0.2 . 1 . . . . 7 GLN N . 15100 1 84 . 1 1 37 37 GLN NE2 N 15 112.6 0.2 . 1 . . . . 7 GLN NE2 . 15100 1 85 . 1 1 38 38 CYS H H 1 8.77 0.02 . 1 . . . . 8 CYS H . 15100 1 86 . 1 1 38 38 CYS HA H 1 5.04 0.02 . 1 . . . . 8 CYS HA . 15100 1 87 . 1 1 38 38 CYS HB2 H 1 2.55 0.02 . 2 . . . . 8 CYS HB2 . 15100 1 88 . 1 1 38 38 CYS HB3 H 1 3.25 0.02 . 2 . . . . 8 CYS HB3 . 15100 1 89 . 1 1 38 38 CYS C C 13 176.4 0.2 . 1 . . . . 8 CYS C . 15100 1 90 . 1 1 38 38 CYS CA C 13 59.2 0.2 . 1 . . . . 8 CYS CA . 15100 1 91 . 1 1 38 38 CYS CB C 13 32.8 0.2 . 1 . . . . 8 CYS CB . 15100 1 92 . 1 1 38 38 CYS N N 15 119.8 0.2 . 1 . . . . 8 CYS N . 15100 1 93 . 1 1 39 39 GLN H H 1 8.21 0.02 . 1 . . . . 9 GLN H . 15100 1 94 . 1 1 39 39 GLN HA H 1 4.17 0.02 . 1 . . . . 9 GLN HA . 15100 1 95 . 1 1 39 39 GLN HB2 H 1 2.34 0.02 . 2 . . . . 9 GLN HB2 . 15100 1 96 . 1 1 39 39 GLN HB3 H 1 2.47 0.02 . 2 . . . . 9 GLN HB3 . 15100 1 97 . 1 1 39 39 GLN HG2 H 1 2.26 0.02 . 1 . . . . 9 GLN HG2 . 15100 1 98 . 1 1 39 39 GLN HG3 H 1 2.26 0.02 . 1 . . . . 9 GLN HG3 . 15100 1 99 . 1 1 39 39 GLN HE21 H 1 7.24 0.02 . 2 . . . . 9 GLN HE21 . 15100 1 100 . 1 1 39 39 GLN HE22 H 1 6.48 0.02 . 2 . . . . 9 GLN HE22 . 15100 1 101 . 1 1 39 39 GLN C C 13 174.7 0.2 . 1 . . . . 9 GLN C . 15100 1 102 . 1 1 39 39 GLN CA C 13 59.1 0.2 . 1 . . . . 9 GLN CA . 15100 1 103 . 1 1 39 39 GLN CB C 13 26.1 0.2 . 1 . . . . 9 GLN CB . 15100 1 104 . 1 1 39 39 GLN CG C 13 34.5 0.2 . 1 . . . . 9 GLN CG . 15100 1 105 . 1 1 39 39 GLN CD C 13 180.4 0.2 . 1 . . . . 9 GLN CD . 15100 1 106 . 1 1 39 39 GLN N N 15 116.2 0.2 . 1 . . . . 9 GLN N . 15100 1 107 . 1 1 39 39 GLN NE2 N 15 112.4 0.2 . 1 . . . . 9 GLN NE2 . 15100 1 108 . 1 1 40 40 HIS H H 1 8.67 0.02 . 1 . . . . 10 HIS H . 15100 1 109 . 1 1 40 40 HIS HA H 1 4.54 0.02 . 1 . . . . 10 HIS HA . 15100 1 110 . 1 1 40 40 HIS HB2 H 1 3.39 0.02 . 1 . . . . 10 HIS HB2 . 15100 1 111 . 1 1 40 40 HIS HB3 H 1 3.39 0.02 . 1 . . . . 10 HIS HB3 . 15100 1 112 . 1 1 40 40 HIS HD2 H 1 7.26 0.02 . 1 . . . . 10 HIS HD2 . 15100 1 113 . 1 1 40 40 HIS C C 13 175.2 0.2 . 1 . . . . 10 HIS C . 15100 1 114 . 1 1 40 40 HIS CA C 13 58 0.2 . 1 . . . . 10 HIS CA . 15100 1 115 . 1 1 40 40 HIS CB C 13 31.2 0.2 . 1 . . . . 10 HIS CB . 15100 1 116 . 1 1 40 40 HIS CD2 C 13 123.7 0.2 . 1 . . . . 10 HIS CD2 . 15100 1 117 . 1 1 40 40 HIS N N 15 123.2 0.2 . 1 . . . . 10 HIS N . 15100 1 118 . 1 1 41 41 VAL H H 1 8.18 0.02 . 1 . . . . 11 VAL H . 15100 1 119 . 1 1 41 41 VAL HA H 1 3.88 0.02 . 1 . . . . 11 VAL HA . 15100 1 120 . 1 1 41 41 VAL HB H 1 1.85 0.02 . 1 . . . . 11 VAL HB . 15100 1 121 . 1 1 41 41 VAL HG11 H 1 0.88 0.02 . 1 . . . . 11 VAL HG1 . 15100 1 122 . 1 1 41 41 VAL HG12 H 1 0.88 0.02 . 1 . . . . 11 VAL HG1 . 15100 1 123 . 1 1 41 41 VAL HG13 H 1 0.88 0.02 . 1 . . . . 11 VAL HG1 . 15100 1 124 . 1 1 41 41 VAL HG21 H 1 0.87 0.02 . 1 . . . . 11 VAL HG2 . 15100 1 125 . 1 1 41 41 VAL HG22 H 1 0.87 0.02 . 1 . . . . 11 VAL HG2 . 15100 1 126 . 1 1 41 41 VAL HG23 H 1 0.87 0.02 . 1 . . . . 11 VAL HG2 . 15100 1 127 . 1 1 41 41 VAL C C 13 176.3 0.2 . 1 . . . . 11 VAL C . 15100 1 128 . 1 1 41 41 VAL CA C 13 64.1 0.2 . 1 . . . . 11 VAL CA . 15100 1 129 . 1 1 41 41 VAL CB C 13 32.1 0.2 . 1 . . . . 11 VAL CB . 15100 1 130 . 1 1 41 41 VAL CG1 C 13 21.1 0.02 . 1 . . . . 11 VAL CG1 . 15100 1 131 . 1 1 41 41 VAL CG2 C 13 22.2 0.02 . 1 . . . . 11 VAL CG2 . 15100 1 132 . 1 1 41 41 VAL N N 15 123.4 0.2 . 1 . . . . 11 VAL N . 15100 1 133 . 1 1 42 42 LEU H H 1 8.34 0.02 . 1 . . . . 12 LEU H . 15100 1 134 . 1 1 42 42 LEU HA H 1 4.48 0.02 . 1 . . . . 12 LEU HA . 15100 1 135 . 1 1 42 42 LEU HB2 H 1 1.16 0.02 . 2 . . . . 12 LEU HB2 . 15100 1 136 . 1 1 42 42 LEU HB3 H 1 1.5 0.02 . 2 . . . . 12 LEU HB3 . 15100 1 137 . 1 1 42 42 LEU HG H 1 1.55 0.02 . 1 . . . . 12 LEU HG . 15100 1 138 . 1 1 42 42 LEU HD11 H 1 0.66 0.02 . 1 . . . . 12 LEU HD1 . 15100 1 139 . 1 1 42 42 LEU HD12 H 1 0.66 0.02 . 1 . . . . 12 LEU HD1 . 15100 1 140 . 1 1 42 42 LEU HD13 H 1 0.66 0.02 . 1 . . . . 12 LEU HD1 . 15100 1 141 . 1 1 42 42 LEU HD21 H 1 0.75 0.02 . 1 . . . . 12 LEU HD2 . 15100 1 142 . 1 1 42 42 LEU HD22 H 1 0.75 0.02 . 1 . . . . 12 LEU HD2 . 15100 1 143 . 1 1 42 42 LEU HD23 H 1 0.75 0.02 . 1 . . . . 12 LEU HD2 . 15100 1 144 . 1 1 42 42 LEU C C 13 176.7 0.2 . 1 . . . . 12 LEU C . 15100 1 145 . 1 1 42 42 LEU CA C 13 54.3 0.2 . 1 . . . . 12 LEU CA . 15100 1 146 . 1 1 42 42 LEU CB C 13 43.8 0.2 . 1 . . . . 12 LEU CB . 15100 1 147 . 1 1 42 42 LEU CG C 13 26.8 0.2 . 1 . . . . 12 LEU CG . 15100 1 148 . 1 1 42 42 LEU CD1 C 13 26.7 0.02 . 1 . . . . 12 LEU CD1 . 15100 1 149 . 1 1 42 42 LEU CD2 C 13 23.6 0.02 . 1 . . . . 12 LEU CD2 . 15100 1 150 . 1 1 42 42 LEU N N 15 126.6 0.2 . 1 . . . . 12 LEU N . 15100 1 151 . 1 1 43 43 ASP H H 1 8.66 0.02 . 1 . . . . 13 ASP H . 15100 1 152 . 1 1 43 43 ASP HA H 1 4.91 0.02 . 1 . . . . 13 ASP HA . 15100 1 153 . 1 1 43 43 ASP HB2 H 1 2.68 0.02 . 1 . . . . 13 ASP HB2 . 15100 1 154 . 1 1 43 43 ASP HB3 H 1 2.68 0.02 . 1 . . . . 13 ASP HB3 . 15100 1 155 . 1 1 43 43 ASP C C 13 175.7 0.2 . 1 . . . . 13 ASP C . 15100 1 156 . 1 1 43 43 ASP CA C 13 53.8 0.2 . 1 . . . . 13 ASP CA . 15100 1 157 . 1 1 43 43 ASP CB C 13 42.4 0.2 . 1 . . . . 13 ASP CB . 15100 1 158 . 1 1 43 43 ASP N N 15 121.8 0.2 . 1 . . . . 13 ASP N . 15100 1 159 . 1 1 44 44 GLN H H 1 8.74 0.02 . 1 . . . . 14 GLN H . 15100 1 160 . 1 1 44 44 GLN HA H 1 4.8 0.02 . 1 . . . . 14 GLN HA . 15100 1 161 . 1 1 44 44 GLN HB2 H 1 1.83 0.02 . 2 . . . . 14 GLN HB2 . 15100 1 162 . 1 1 44 44 GLN HB3 H 1 2.04 0.02 . 2 . . . . 14 GLN HB3 . 15100 1 163 . 1 1 44 44 GLN HG2 H 1 2.1 0.02 . 2 . . . . 14 GLN HG2 . 15100 1 164 . 1 1 44 44 GLN HG3 H 1 2.2 0.02 . 2 . . . . 14 GLN HG3 . 15100 1 165 . 1 1 44 44 GLN HE21 H 1 7.54 0.02 . 2 . . . . 14 GLN HE21 . 15100 1 166 . 1 1 44 44 GLN HE22 H 1 6.66 0.02 . 2 . . . . 14 GLN HE22 . 15100 1 167 . 1 1 44 44 GLN C C 13 175 0.2 . 1 . . . . 14 GLN C . 15100 1 168 . 1 1 44 44 GLN CA C 13 55.7 0.2 . 1 . . . . 14 GLN CA . 15100 1 169 . 1 1 44 44 GLN CB C 13 30.6 0.2 . 1 . . . . 14 GLN CB . 15100 1 170 . 1 1 44 44 GLN CG C 13 34.4 0.2 . 1 . . . . 14 GLN CG . 15100 1 171 . 1 1 44 44 GLN CD C 13 179 0.2 . 1 . . . . 14 GLN CD . 15100 1 172 . 1 1 44 44 GLN N N 15 122.6 0.2 . 1 . . . . 14 GLN N . 15100 1 173 . 1 1 44 44 GLN NE2 N 15 111.2 0.2 . 1 . . . . 14 GLN NE2 . 15100 1 174 . 1 1 45 45 ASP H H 1 8.46 0.02 . 1 . . . . 15 ASP H . 15100 1 175 . 1 1 45 45 ASP HA H 1 4.64 0.02 . 1 . . . . 15 ASP HA . 15100 1 176 . 1 1 45 45 ASP HB2 H 1 2.54 0.02 . 1 . . . . 15 ASP HB2 . 15100 1 177 . 1 1 45 45 ASP HB3 H 1 2.54 0.02 . 1 . . . . 15 ASP HB3 . 15100 1 178 . 1 1 45 45 ASP CA C 13 54 0.2 . 1 . . . . 15 ASP CA . 15100 1 179 . 1 1 45 45 ASP CB C 13 42.8 0.2 . 1 . . . . 15 ASP CB . 15100 1 180 . 1 1 45 45 ASP N N 15 122.8 0.2 . 1 . . . . 15 ASP N . 15100 1 181 . 1 1 46 46 ASN HA H 1 4.33 0.02 . 1 . . . . 16 ASN HA . 15100 1 182 . 1 1 46 46 ASN HB2 H 1 2.7 0.02 . 2 . . . . 16 ASN HB2 . 15100 1 183 . 1 1 46 46 ASN HB3 H 1 2.95 0.02 . 2 . . . . 16 ASN HB3 . 15100 1 184 . 1 1 46 46 ASN HD21 H 1 7.7 0.02 . 2 . . . . 16 ASN HD21 . 15100 1 185 . 1 1 46 46 ASN HD22 H 1 6.91 0.02 . 2 . . . . 16 ASN HD22 . 15100 1 186 . 1 1 46 46 ASN CA C 13 54.4 0.2 . 1 . . . . 16 ASN CA . 15100 1 187 . 1 1 46 46 ASN CB C 13 38.5 0.2 . 1 . . . . 16 ASN CB . 15100 1 188 . 1 1 46 46 ASN ND2 N 15 113.7 0.2 . 1 . . . . 16 ASN ND2 . 15100 1 189 . 1 1 47 47 GLY H H 1 8.36 0.02 . 1 . . . . 17 GLY H . 15100 1 190 . 1 1 47 47 GLY HA2 H 1 2.96 0.02 . 2 . . . . 17 GLY HA2 . 15100 1 191 . 1 1 47 47 GLY HA3 H 1 3.27 0.02 . 2 . . . . 17 GLY HA3 . 15100 1 192 . 1 1 47 47 GLY C C 13 173.5 0.2 . 1 . . . . 17 GLY C . 15100 1 193 . 1 1 47 47 GLY CA C 13 45.5 0.2 . 1 . . . . 17 GLY CA . 15100 1 194 . 1 1 47 47 GLY N N 15 106.8 0.2 . 1 . . . . 17 GLY N . 15100 1 195 . 1 1 48 48 HIS H H 1 7.94 0.02 . 1 . . . . 18 HIS H . 15100 1 196 . 1 1 48 48 HIS HA H 1 5.05 0.02 . 1 . . . . 18 HIS HA . 15100 1 197 . 1 1 48 48 HIS HB2 H 1 2.97 0.02 . 2 . . . . 18 HIS HB2 . 15100 1 198 . 1 1 48 48 HIS HB3 H 1 3.14 0.02 . 2 . . . . 18 HIS HB3 . 15100 1 199 . 1 1 48 48 HIS HD2 H 1 6.79 0.02 . 1 . . . . 18 HIS HD2 . 15100 1 200 . 1 1 48 48 HIS HE1 H 1 7.80 0.02 . 1 . . . . 18 HIS HE1 . 15100 1 201 . 1 1 48 48 HIS C C 13 173.4 0.2 . 1 . . . . 18 HIS C . 15100 1 202 . 1 1 48 48 HIS CA C 13 54.7 0.2 . 1 . . . . 18 HIS CA . 15100 1 203 . 1 1 48 48 HIS CB C 13 32.4 0.2 . 1 . . . . 18 HIS CB . 15100 1 204 . 1 1 48 48 HIS CD2 C 13 120.8 0.2 . 1 . . . . 18 HIS CD2 . 15100 1 205 . 1 1 48 48 HIS N N 15 119.1 0.2 . 1 . . . . 18 HIS N . 15100 1 206 . 1 1 49 49 ALA H H 1 8.94 0.02 . 1 . . . . 19 ALA H . 15100 1 207 . 1 1 49 49 ALA HA H 1 5.18 0.02 . 1 . . . . 19 ALA HA . 15100 1 208 . 1 1 49 49 ALA HB1 H 1 1.26 0.02 . 1 . . . . 19 ALA HB . 15100 1 209 . 1 1 49 49 ALA HB2 H 1 1.26 0.02 . 1 . . . . 19 ALA HB . 15100 1 210 . 1 1 49 49 ALA HB3 H 1 1.26 0.02 . 1 . . . . 19 ALA HB . 15100 1 211 . 1 1 49 49 ALA C C 13 175.3 0.2 . 1 . . . . 19 ALA C . 15100 1 212 . 1 1 49 49 ALA CA C 13 50.6 0.2 . 1 . . . . 19 ALA CA . 15100 1 213 . 1 1 49 49 ALA CB C 13 22.2 0.2 . 1 . . . . 19 ALA CB . 15100 1 214 . 1 1 49 49 ALA N N 15 124.7 0.2 . 1 . . . . 19 ALA N . 15100 1 215 . 1 1 50 50 ARG H H 1 8.54 0.02 . 1 . . . . 20 ARG H . 15100 1 216 . 1 1 50 50 ARG HA H 1 5.18 0.02 . 1 . . . . 20 ARG HA . 15100 1 217 . 1 1 50 50 ARG HB2 H 1 1.69 0.02 . 1 . . . . 20 ARG HB2 . 15100 1 218 . 1 1 50 50 ARG HB3 H 1 1.69 0.02 . 1 . . . . 20 ARG HB3 . 15100 1 219 . 1 1 50 50 ARG HG2 H 1 1.37 0.02 . 1 . . . . 20 ARG HG2 . 15100 1 220 . 1 1 50 50 ARG HG3 H 1 1.37 0.02 . 1 . . . . 20 ARG HG3 . 15100 1 221 . 1 1 50 50 ARG HD2 H 1 2.98 0.02 . 2 . . . . 20 ARG HD2 . 15100 1 222 . 1 1 50 50 ARG HD3 H 1 3.08 0.02 . 2 . . . . 20 ARG HD3 . 15100 1 223 . 1 1 50 50 ARG C C 13 174.4 0.2 . 1 . . . . 20 ARG C . 15100 1 224 . 1 1 50 50 ARG CA C 13 54.2 0.2 . 1 . . . . 20 ARG CA . 15100 1 225 . 1 1 50 50 ARG CB C 13 34.2 0.2 . 1 . . . . 20 ARG CB . 15100 1 226 . 1 1 50 50 ARG CG C 13 27.4 0.2 . 1 . . . . 20 ARG CG . 15100 1 227 . 1 1 50 50 ARG CD C 13 43.2 0.2 . 1 . . . . 20 ARG CD . 15100 1 228 . 1 1 50 50 ARG N N 15 120 0.2 . 1 . . . . 20 ARG N . 15100 1 229 . 1 1 51 51 CYS H H 1 8.94 0.02 . 1 . . . . 21 CYS H . 15100 1 230 . 1 1 51 51 CYS HA H 1 4.66 0.02 . 1 . . . . 21 CYS HA . 15100 1 231 . 1 1 51 51 CYS HB2 H 1 2.68 0.02 . 2 . . . . 21 CYS HB2 . 15100 1 232 . 1 1 51 51 CYS HB3 H 1 3.16 0.02 . 2 . . . . 21 CYS HB3 . 15100 1 233 . 1 1 51 51 CYS C C 13 178 0.2 . 1 . . . . 21 CYS C . 15100 1 234 . 1 1 51 51 CYS CA C 13 59.1 0.2 . 1 . . . . 21 CYS CA . 15100 1 235 . 1 1 51 51 CYS CB C 13 31.7 0.2 . 1 . . . . 21 CYS CB . 15100 1 236 . 1 1 51 51 CYS N N 15 127.7 0.2 . 1 . . . . 21 CYS N . 15100 1 237 . 1 1 52 52 ARG H H 1 9.32 0.02 . 1 . . . . 22 ARG H . 15100 1 238 . 1 1 52 52 ARG HA H 1 4.13 0.02 . 1 . . . . 22 ARG HA . 15100 1 239 . 1 1 52 52 ARG HB2 H 1 1.86 0.02 . 2 . . . . 22 ARG HB2 . 15100 1 240 . 1 1 52 52 ARG HB3 H 1 1.91 0.02 . 2 . . . . 22 ARG HB3 . 15100 1 241 . 1 1 52 52 ARG HG2 H 1 1.68 0.02 . 1 . . . . 22 ARG HG2 . 15100 1 242 . 1 1 52 52 ARG HG3 H 1 1.68 0.02 . 1 . . . . 22 ARG HG3 . 15100 1 243 . 1 1 52 52 ARG HD2 H 1 3.2 0.02 . 1 . . . . 22 ARG HD2 . 15100 1 244 . 1 1 52 52 ARG HD3 H 1 3.2 0.02 . 1 . . . . 22 ARG HD3 . 15100 1 245 . 1 1 52 52 ARG C C 13 176.4 0.2 . 1 . . . . 22 ARG C . 15100 1 246 . 1 1 52 52 ARG CA C 13 57.9 0.2 . 1 . . . . 22 ARG CA . 15100 1 247 . 1 1 52 52 ARG CB C 13 30.3 0.2 . 1 . . . . 22 ARG CB . 15100 1 248 . 1 1 52 52 ARG CG C 13 27.5 0.2 . 1 . . . . 22 ARG CG . 15100 1 249 . 1 1 52 52 ARG CD C 13 43.4 0.2 . 1 . . . . 22 ARG CD . 15100 1 250 . 1 1 52 52 ARG N N 15 130.2 0.2 . 1 . . . . 22 ARG N . 15100 1 251 . 1 1 53 53 SER H H 1 8.72 0.02 . 1 . . . . 23 SER H . 15100 1 252 . 1 1 53 53 SER HA H 1 4.36 0.02 . 1 . . . . 23 SER HA . 15100 1 253 . 1 1 53 53 SER HB2 H 1 3.1 0.02 . 2 . . . . 23 SER HB2 . 15100 1 254 . 1 1 53 53 SER HB3 H 1 3.84 0.02 . 2 . . . . 23 SER HB3 . 15100 1 255 . 1 1 53 53 SER C C 13 176 0.2 . 1 . . . . 23 SER C . 15100 1 256 . 1 1 53 53 SER CA C 13 59.9 0.2 . 1 . . . . 23 SER CA . 15100 1 257 . 1 1 53 53 SER CB C 13 62.9 0.2 . 1 . . . . 23 SER CB . 15100 1 258 . 1 1 53 53 SER N N 15 116.8 0.2 . 1 . . . . 23 SER N . 15100 1 259 . 1 1 54 54 CYS H H 1 9.29 0.02 . 1 . . . . 24 CYS H . 15100 1 260 . 1 1 54 54 CYS C C 13 177.2 0.2 . 1 . . . . 24 CYS C . 15100 1 261 . 1 1 54 54 CYS N N 15 121 0.2 . 1 . . . . 24 CYS N . 15100 1 262 . 1 1 55 55 GLY H H 1 7.63 0.02 . 1 . . . . 25 GLY H . 15100 1 263 . 1 1 55 55 GLY HA2 H 1 3.81 0.02 . 2 . . . . 25 GLY HA2 . 15100 1 264 . 1 1 55 55 GLY HA3 H 1 4.22 0.02 . 2 . . . . 25 GLY HA3 . 15100 1 265 . 1 1 55 55 GLY CA C 13 46 0.2 . 1 . . . . 25 GLY CA . 15100 1 266 . 1 1 55 55 GLY N N 15 111.5 0.2 . 1 . . . . 25 GLY N . 15100 1 267 . 1 1 56 56 GLU HA H 1 4.29 0.02 . 1 . . . . 26 GLU HA . 15100 1 268 . 1 1 56 56 GLU HB2 H 1 1.97 0.02 . 2 . . . . 26 GLU HB2 . 15100 1 269 . 1 1 56 56 GLU HB3 H 1 2.03 0.02 . 2 . . . . 26 GLU HB3 . 15100 1 270 . 1 1 56 56 GLU HG2 H 1 2.28 0.02 . 1 . . . . 26 GLU HG2 . 15100 1 271 . 1 1 56 56 GLU HG3 H 1 2.28 0.02 . 1 . . . . 26 GLU HG3 . 15100 1 272 . 1 1 56 56 GLU C C 13 175 0.2 . 1 . . . . 26 GLU C . 15100 1 273 . 1 1 56 56 GLU CA C 13 57.5 0.2 . 1 . . . . 26 GLU CA . 15100 1 274 . 1 1 56 56 GLU CB C 13 30.3 0.2 . 1 . . . . 26 GLU CB . 15100 1 275 . 1 1 57 57 PHE H H 1 8.61 0.02 . 1 . . . . 27 PHE H . 15100 1 276 . 1 1 57 57 PHE HA H 1 5.21 0.02 . 1 . . . . 27 PHE HA . 15100 1 277 . 1 1 57 57 PHE HB2 H 1 3 0.02 . 2 . . . . 27 PHE HB2 . 15100 1 278 . 1 1 57 57 PHE HB3 H 1 3.06 0.02 . 2 . . . . 27 PHE HB3 . 15100 1 279 . 1 1 57 57 PHE HD1 H 1 7.18 0.02 . 1 . . . . 27 PHE HD1 . 15100 1 280 . 1 1 57 57 PHE HD2 H 1 7.18 0.02 . 1 . . . . 27 PHE HD2 . 15100 1 281 . 1 1 57 57 PHE HE1 H 1 6.97 0.02 . 1 . . . . 27 PHE HE1 . 15100 1 282 . 1 1 57 57 PHE HE2 H 1 6.97 0.02 . 1 . . . . 27 PHE HE2 . 15100 1 283 . 1 1 57 57 PHE HZ H 1 6.96 0.02 . 1 . . . . 27 PHE HZ . 15100 1 284 . 1 1 57 57 PHE C C 13 175 0.2 . 1 . . . . 27 PHE C . 15100 1 285 . 1 1 57 57 PHE CA C 13 57.1 0.2 . 1 . . . . 27 PHE CA . 15100 1 286 . 1 1 57 57 PHE CB C 13 40.8 0.2 . 1 . . . . 27 PHE CB . 15100 1 287 . 1 1 57 57 PHE CD1 C 13 131.7 0.02 . 1 . . . . 27 PHE CD1 . 15100 1 288 . 1 1 57 57 PHE CD2 C 13 131.7 0.02 . 1 . . . . 27 PHE CD2 . 15100 1 289 . 1 1 57 57 PHE CE1 C 13 129.4 0.02 . 1 . . . . 27 PHE CE1 . 15100 1 290 . 1 1 57 57 PHE CE2 C 13 129.4 0.02 . 1 . . . . 27 PHE CE2 . 15100 1 291 . 1 1 57 57 PHE CZ C 13 132.2 0.2 . 1 . . . . 27 PHE CZ . 15100 1 292 . 1 1 57 57 PHE N N 15 124.5 0.2 . 1 . . . . 27 PHE N . 15100 1 293 . 1 1 58 58 ILE H H 1 8.73 0.02 . 1 . . . . 28 ILE H . 15100 1 294 . 1 1 58 58 ILE HA H 1 4.3 0.02 . 1 . . . . 28 ILE HA . 15100 1 295 . 1 1 58 58 ILE HB H 1 1.66 0.02 . 1 . . . . 28 ILE HB . 15100 1 296 . 1 1 58 58 ILE HG12 H 1 1.2 0.02 . 2 . . . . 28 ILE HG12 . 15100 1 297 . 1 1 58 58 ILE HG13 H 1 1.39 0.02 . 2 . . . . 28 ILE HG13 . 15100 1 298 . 1 1 58 58 ILE HG21 H 1 0.84 0.02 . 1 . . . . 28 ILE HG2 . 15100 1 299 . 1 1 58 58 ILE HG22 H 1 0.84 0.02 . 1 . . . . 28 ILE HG2 . 15100 1 300 . 1 1 58 58 ILE HG23 H 1 0.84 0.02 . 1 . . . . 28 ILE HG2 . 15100 1 301 . 1 1 58 58 ILE HD11 H 1 0.85 0.02 . 1 . . . . 28 ILE HD1 . 15100 1 302 . 1 1 58 58 ILE HD12 H 1 0.85 0.02 . 1 . . . . 28 ILE HD1 . 15100 1 303 . 1 1 58 58 ILE HD13 H 1 0.85 0.02 . 1 . . . . 28 ILE HD1 . 15100 1 304 . 1 1 58 58 ILE C C 13 174.6 0.2 . 1 . . . . 28 ILE C . 15100 1 305 . 1 1 58 58 ILE CA C 13 59.7 0.2 . 1 . . . . 28 ILE CA . 15100 1 306 . 1 1 58 58 ILE CB C 13 41.7 0.2 . 1 . . . . 28 ILE CB . 15100 1 307 . 1 1 58 58 ILE CG1 C 13 27.7 0.2 . 1 . . . . 28 ILE CG1 . 15100 1 308 . 1 1 58 58 ILE CG2 C 13 18.5 0.2 . 1 . . . . 28 ILE CG2 . 15100 1 309 . 1 1 58 58 ILE CD1 C 13 14.1 0.2 . 1 . . . . 28 ILE CD1 . 15100 1 310 . 1 1 58 58 ILE N N 15 126.1 0.2 . 1 . . . . 28 ILE N . 15100 1 311 . 1 1 59 59 GLU H H 1 8.64 0.02 . 1 . . . . 29 GLU H . 15100 1 312 . 1 1 59 59 GLU HA H 1 4.29 0.02 . 1 . . . . 29 GLU HA . 15100 1 313 . 1 1 59 59 GLU HB2 H 1 1.95 0.02 . 2 . . . . 29 GLU HB2 . 15100 1 314 . 1 1 59 59 GLU HB3 H 1 2.03 0.02 . 2 . . . . 29 GLU HB3 . 15100 1 315 . 1 1 59 59 GLU HG2 H 1 2.21 0.02 . 1 . . . . 29 GLU HG2 . 15100 1 316 . 1 1 59 59 GLU HG3 H 1 2.21 0.02 . 1 . . . . 29 GLU HG3 . 15100 1 317 . 1 1 59 59 GLU C C 13 175.6 0.2 . 1 . . . . 29 GLU C . 15100 1 318 . 1 1 59 59 GLU CA C 13 56.4 0.2 . 1 . . . . 29 GLU CA . 15100 1 319 . 1 1 59 59 GLU CB C 13 30.3 0.2 . 1 . . . . 29 GLU CB . 15100 1 320 . 1 1 59 59 GLU CG C 13 36.6 0.2 . 1 . . . . 29 GLU CG . 15100 1 321 . 1 1 59 59 GLU N N 15 127.1 0.2 . 1 . . . . 29 GLU N . 15100 1 322 . 1 1 60 60 MET H H 1 8.41 0.02 . 1 . . . . 30 MET H . 15100 1 323 . 1 1 60 60 MET HA H 1 4.86 0.02 . 1 . . . . 30 MET HA . 15100 1 324 . 1 1 60 60 MET HB2 H 1 1.79 0.02 . 2 . . . . 30 MET HB2 . 15100 1 325 . 1 1 60 60 MET HB3 H 1 2.15 0.02 . 2 . . . . 30 MET HB3 . 15100 1 326 . 1 1 60 60 MET HG2 H 1 2 0.02 . 2 . . . . 30 MET HG2 . 15100 1 327 . 1 1 60 60 MET HG3 H 1 2.28 0.02 . 2 . . . . 30 MET HG3 . 15100 1 328 . 1 1 60 60 MET HE1 H 1 1.56 0.02 . 1 . . . . 30 MET HE . 15100 1 329 . 1 1 60 60 MET HE2 H 1 1.56 0.02 . 1 . . . . 30 MET HE . 15100 1 330 . 1 1 60 60 MET HE3 H 1 1.56 0.02 . 1 . . . . 30 MET HE . 15100 1 331 . 1 1 60 60 MET C C 13 175.2 0.2 . 1 . . . . 30 MET C . 15100 1 332 . 1 1 60 60 MET CA C 13 55.3 0.2 . 1 . . . . 30 MET CA . 15100 1 333 . 1 1 60 60 MET CB C 13 35.3 0.2 . 1 . . . . 30 MET CB . 15100 1 334 . 1 1 60 60 MET CG C 13 32.6 0.2 . 1 . . . . 30 MET CG . 15100 1 335 . 1 1 60 60 MET CE C 13 17.4 0.2 . 1 . . . . 30 MET CE . 15100 1 336 . 1 1 60 60 MET N N 15 123.8 0.2 . 1 . . . . 30 MET N . 15100 1 337 . 1 1 61 61 LYS H H 1 9.18 0.02 . 1 . . . . 31 LYS H . 15100 1 338 . 1 1 61 61 LYS HA H 1 4.65 0.02 . 1 . . . . 31 LYS HA . 15100 1 339 . 1 1 61 61 LYS HB2 H 1 1.66 0.02 . 1 . . . . 31 LYS HB2 . 15100 1 340 . 1 1 61 61 LYS HB3 H 1 1.66 0.02 . 1 . . . . 31 LYS HB3 . 15100 1 341 . 1 1 61 61 LYS HG2 H 1 1.3 0.02 . 2 . . . . 31 LYS HG2 . 15100 1 342 . 1 1 61 61 LYS HG3 H 1 1.44 0.02 . 2 . . . . 31 LYS HG3 . 15100 1 343 . 1 1 61 61 LYS HD2 H 1 1.68 0.02 . 1 . . . . 31 LYS HD2 . 15100 1 344 . 1 1 61 61 LYS HD3 H 1 1.68 0.02 . 1 . . . . 31 LYS HD3 . 15100 1 345 . 1 1 61 61 LYS HE2 H 1 2.95 0.02 . 1 . . . . 31 LYS HE2 . 15100 1 346 . 1 1 61 61 LYS HE3 H 1 2.95 0.02 . 1 . . . . 31 LYS HE3 . 15100 1 347 . 1 1 61 61 LYS C C 13 174.3 0.2 . 1 . . . . 31 LYS C . 15100 1 348 . 1 1 61 61 LYS CA C 13 55.2 0.2 . 1 . . . . 31 LYS CA . 15100 1 349 . 1 1 61 61 LYS CB C 13 34.4 0.2 . 1 . . . . 31 LYS CB . 15100 1 350 . 1 1 61 61 LYS CG C 13 24.5 0.2 . 1 . . . . 31 LYS CG . 15100 1 351 . 1 1 61 61 LYS CD C 13 29.4 0.2 . 1 . . . . 31 LYS CD . 15100 1 352 . 1 1 61 61 LYS CE C 13 41.7 0.2 . 1 . . . . 31 LYS CE . 15100 1 353 . 1 1 61 61 LYS N N 15 122.6 0.2 . 1 . . . . 31 LYS N . 15100 1 354 . 1 1 62 62 ALA H H 1 8.35 0.02 . 1 . . . . 32 ALA H . 15100 1 355 . 1 1 62 62 ALA HA H 1 4.21 0.02 . 1 . . . . 32 ALA HA . 15100 1 356 . 1 1 62 62 ALA HB1 H 1 1.1 0.02 . 1 . . . . 32 ALA HB . 15100 1 357 . 1 1 62 62 ALA HB2 H 1 1.1 0.02 . 1 . . . . 32 ALA HB . 15100 1 358 . 1 1 62 62 ALA HB3 H 1 1.1 0.02 . 1 . . . . 32 ALA HB . 15100 1 359 . 1 1 62 62 ALA C C 13 176 0.2 . 1 . . . . 32 ALA C . 15100 1 360 . 1 1 62 62 ALA CA C 13 50.9 0.2 . 1 . . . . 32 ALA CA . 15100 1 361 . 1 1 62 62 ALA CB C 13 21.1 0.2 . 1 . . . . 32 ALA CB . 15100 1 362 . 1 1 62 62 ALA N N 15 127.2 0.2 . 1 . . . . 32 ALA N . 15100 1 363 . 1 1 63 63 LEU H H 1 9.18 0.02 . 1 . . . . 33 LEU H . 15100 1 364 . 1 1 63 63 LEU HA H 1 4.61 0.02 . 1 . . . . 33 LEU HA . 15100 1 365 . 1 1 63 63 LEU HB2 H 1 1.88 0.02 . 2 . . . . 33 LEU HB2 . 15100 1 366 . 1 1 63 63 LEU HB3 H 1 0.83 0.02 . 2 . . . . 33 LEU HB3 . 15100 1 367 . 1 1 63 63 LEU HG H 1 1.52 0.02 . 1 . . . . 33 LEU HG . 15100 1 368 . 1 1 63 63 LEU HD11 H 1 0.76 0.02 . 1 . . . . 33 LEU HD1 . 15100 1 369 . 1 1 63 63 LEU HD12 H 1 0.76 0.02 . 1 . . . . 33 LEU HD1 . 15100 1 370 . 1 1 63 63 LEU HD13 H 1 0.76 0.02 . 1 . . . . 33 LEU HD1 . 15100 1 371 . 1 1 63 63 LEU HD21 H 1 0.57 0.02 . 1 . . . . 33 LEU HD2 . 15100 1 372 . 1 1 63 63 LEU HD22 H 1 0.57 0.02 . 1 . . . . 33 LEU HD2 . 15100 1 373 . 1 1 63 63 LEU HD23 H 1 0.57 0.02 . 1 . . . . 33 LEU HD2 . 15100 1 374 . 1 1 63 63 LEU C C 13 175 0.2 . 1 . . . . 33 LEU C . 15100 1 375 . 1 1 63 63 LEU CA C 13 52.8 0.2 . 1 . . . . 33 LEU CA . 15100 1 376 . 1 1 63 63 LEU CB C 13 44.2 0.2 . 1 . . . . 33 LEU CB . 15100 1 377 . 1 1 63 63 LEU CG C 13 26.7 0.2 . 1 . . . . 33 LEU CG . 15100 1 378 . 1 1 63 63 LEU CD1 C 13 26 0.02 . 1 . . . . 33 LEU CD1 . 15100 1 379 . 1 1 63 63 LEU CD2 C 13 21.9 0.02 . 1 . . . . 33 LEU CD2 . 15100 1 380 . 1 1 63 63 LEU N N 15 125.1 0.2 . 1 . . . . 33 LEU N . 15100 1 381 . 1 1 64 64 CYS H H 1 8.05 0.02 . 1 . . . . 34 CYS H . 15100 1 382 . 1 1 64 64 CYS HA H 1 4.37 0.02 . 1 . . . . 34 CYS HA . 15100 1 383 . 1 1 64 64 CYS HB2 H 1 2.84 0.02 . 2 . . . . 34 CYS HB2 . 15100 1 384 . 1 1 64 64 CYS HB3 H 1 3.27 0.02 . 2 . . . . 34 CYS HB3 . 15100 1 385 . 1 1 64 64 CYS CA C 13 56.5 0.2 . 1 . . . . 34 CYS CA . 15100 1 386 . 1 1 64 64 CYS CB C 13 31.5 0.2 . 1 . . . . 34 CYS CB . 15100 1 387 . 1 1 64 64 CYS N N 15 123.4 0.2 . 1 . . . . 34 CYS N . 15100 1 388 . 1 1 65 65 PRO HA H 1 4.24 0.02 . 1 . . . . 35 PRO HA . 15100 1 389 . 1 1 65 65 PRO HB2 H 1 1.88 0.02 . 2 . . . . 35 PRO HB2 . 15100 1 390 . 1 1 65 65 PRO HB3 H 1 2.35 0.02 . 2 . . . . 35 PRO HB3 . 15100 1 391 . 1 1 65 65 PRO HG2 H 1 1.79 0.02 . 1 . . . . 35 PRO HG2 . 15100 1 392 . 1 1 65 65 PRO HG3 H 1 1.79 0.02 . 1 . . . . 35 PRO HG3 . 15100 1 393 . 1 1 65 65 PRO HD2 H 1 3.4 0.02 . 2 . . . . 35 PRO HD2 . 15100 1 394 . 1 1 65 65 PRO HD3 H 1 4.32 0.02 . 2 . . . . 35 PRO HD3 . 15100 1 395 . 1 1 65 65 PRO C C 13 175.5 0.2 . 1 . . . . 35 PRO C . 15100 1 396 . 1 1 65 65 PRO CA C 13 63.8 0.2 . 1 . . . . 35 PRO CA . 15100 1 397 . 1 1 65 65 PRO CB C 13 32 0.2 . 1 . . . . 35 PRO CB . 15100 1 398 . 1 1 65 65 PRO CG C 13 26.8 0.2 . 1 . . . . 35 PRO CG . 15100 1 399 . 1 1 65 65 PRO CD C 13 51 0.2 . 1 . . . . 35 PRO CD . 15100 1 400 . 1 1 66 66 ASP H H 1 8.79 0.02 . 1 . . . . 36 ASP H . 15100 1 401 . 1 1 66 66 ASP HA H 1 4.52 0.02 . 1 . . . . 36 ASP HA . 15100 1 402 . 1 1 66 66 ASP HB2 H 1 1.09 0.02 . 2 . . . . 36 ASP HB2 . 15100 1 403 . 1 1 66 66 ASP HB3 H 1 1.59 0.02 . 2 . . . . 36 ASP HB3 . 15100 1 404 . 1 1 66 66 ASP C C 13 176.6 0.2 . 1 . . . . 36 ASP C . 15100 1 405 . 1 1 66 66 ASP CA C 13 56.3 0.2 . 1 . . . . 36 ASP CA . 15100 1 406 . 1 1 66 66 ASP CB C 13 40.8 0.2 . 1 . . . . 36 ASP CB . 15100 1 407 . 1 1 66 66 ASP N N 15 121.7 0.2 . 1 . . . . 36 ASP N . 15100 1 408 . 1 1 67 67 CYS H H 1 7.75 0.02 . 1 . . . . 37 CYS H . 15100 1 409 . 1 1 67 67 CYS HA H 1 4.9 0.02 . 1 . . . . 37 CYS HA . 15100 1 410 . 1 1 67 67 CYS HB2 H 1 2.96 0.02 . 2 . . . . 37 CYS HB2 . 15100 1 411 . 1 1 67 67 CYS HB3 H 1 3.29 0.02 . 2 . . . . 37 CYS HB3 . 15100 1 412 . 1 1 67 67 CYS C C 13 175.8 0.2 . 1 . . . . 37 CYS C . 15100 1 413 . 1 1 67 67 CYS CA C 13 58.2 0.2 . 1 . . . . 37 CYS CA . 15100 1 414 . 1 1 67 67 CYS CB C 13 32.8 0.2 . 1 . . . . 37 CYS CB . 15100 1 415 . 1 1 67 67 CYS N N 15 116 0.2 . 1 . . . . 37 CYS N . 15100 1 416 . 1 1 68 68 HIS H H 1 7.93 0.02 . 1 . . . . 38 HIS H . 15100 1 417 . 1 1 68 68 HIS HA H 1 4.49 0.02 . 1 . . . . 38 HIS HA . 15100 1 418 . 1 1 68 68 HIS HB2 H 1 3.34 0.02 . 1 . . . . 38 HIS HB2 . 15100 1 419 . 1 1 68 68 HIS HB3 H 1 3.34 0.02 . 1 . . . . 38 HIS HB3 . 15100 1 420 . 1 1 68 68 HIS HD2 H 1 6.93 0.02 . 1 . . . . 38 HIS HD2 . 15100 1 421 . 1 1 68 68 HIS C C 13 172.9 0.2 . 1 . . . . 38 HIS C . 15100 1 422 . 1 1 68 68 HIS CA C 13 57.6 0.2 . 1 . . . . 38 HIS CA . 15100 1 423 . 1 1 68 68 HIS CB C 13 26.6 0.2 . 1 . . . . 38 HIS CB . 15100 1 424 . 1 1 68 68 HIS CD2 C 13 119.6 0.2 . 1 . . . . 38 HIS CD2 . 15100 1 425 . 1 1 68 68 HIS N N 15 118.1 0.2 . 1 . . . . 38 HIS N . 15100 1 426 . 1 1 69 69 GLN H H 1 7.65 0.02 . 1 . . . . 39 GLN H . 15100 1 427 . 1 1 69 69 GLN HA H 1 4.83 0.02 . 1 . . . . 39 GLN HA . 15100 1 428 . 1 1 69 69 GLN HB2 H 1 2.07 0.02 . 2 . . . . 39 GLN HB2 . 15100 1 429 . 1 1 69 69 GLN HB3 H 1 2.11 0.02 . 2 . . . . 39 GLN HB3 . 15100 1 430 . 1 1 69 69 GLN HG2 H 1 1.84 0.02 . 2 . . . . 39 GLN HG2 . 15100 1 431 . 1 1 69 69 GLN HG3 H 1 2.25 0.02 . 2 . . . . 39 GLN HG3 . 15100 1 432 . 1 1 69 69 GLN HE21 H 1 6.7 0.02 . 2 . . . . 39 GLN HE21 . 15100 1 433 . 1 1 69 69 GLN HE22 H 1 7.17 0.02 . 2 . . . . 39 GLN HE22 . 15100 1 434 . 1 1 69 69 GLN CA C 13 53.6 0.2 . 1 . . . . 39 GLN CA . 15100 1 435 . 1 1 69 69 GLN CB C 13 28.5 0.2 . 1 . . . . 39 GLN CB . 15100 1 436 . 1 1 69 69 GLN CG C 13 33.7 0.2 . 1 . . . . 39 GLN CG . 15100 1 437 . 1 1 69 69 GLN CD C 13 180 0.2 . 1 . . . . 39 GLN CD . 15100 1 438 . 1 1 69 69 GLN N N 15 116.7 0.2 . 1 . . . . 39 GLN N . 15100 1 439 . 1 1 69 69 GLN NE2 N 15 112.9 0.2 . 1 . . . . 39 GLN NE2 . 15100 1 440 . 1 1 70 70 PRO HA H 1 4.68 0.02 . 1 . . . . 40 PRO HA . 15100 1 441 . 1 1 70 70 PRO HB2 H 1 2.07 0.02 . 2 . . . . 40 PRO HB2 . 15100 1 442 . 1 1 70 70 PRO HB3 H 1 2.33 0.02 . 2 . . . . 40 PRO HB3 . 15100 1 443 . 1 1 70 70 PRO HG2 H 1 1.88 0.02 . 2 . . . . 40 PRO HG2 . 15100 1 444 . 1 1 70 70 PRO HG3 H 1 2.31 0.02 . 2 . . . . 40 PRO HG3 . 15100 1 445 . 1 1 70 70 PRO HD2 H 1 3.81 0.02 . 2 . . . . 40 PRO HD2 . 15100 1 446 . 1 1 70 70 PRO HD3 H 1 3.91 0.02 . 2 . . . . 40 PRO HD3 . 15100 1 447 . 1 1 70 70 PRO C C 13 176.7 0.2 . 1 . . . . 40 PRO C . 15100 1 448 . 1 1 70 70 PRO CA C 13 63.9 0.2 . 1 . . . . 40 PRO CA . 15100 1 449 . 1 1 70 70 PRO CB C 13 32.2 0.2 . 1 . . . . 40 PRO CB . 15100 1 450 . 1 1 70 70 PRO CG C 13 28.1 0.2 . 1 . . . . 40 PRO CG . 15100 1 451 . 1 1 70 70 PRO CD C 13 50.9 0.2 . 1 . . . . 40 PRO CD . 15100 1 452 . 1 1 71 71 LEU H H 1 8.24 0.02 . 1 . . . . 41 LEU H . 15100 1 453 . 1 1 71 71 LEU HA H 1 4.55 0.02 . 1 . . . . 41 LEU HA . 15100 1 454 . 1 1 71 71 LEU HB2 H 1 1.47 0.02 . 2 . . . . 41 LEU HB2 . 15100 1 455 . 1 1 71 71 LEU HB3 H 1 1.54 0.02 . 2 . . . . 41 LEU HB3 . 15100 1 456 . 1 1 71 71 LEU HG H 1 1.67 0.02 . 1 . . . . 41 LEU HG . 15100 1 457 . 1 1 71 71 LEU HD11 H 1 0.58 0.02 . 1 . . . . 41 LEU HD1 . 15100 1 458 . 1 1 71 71 LEU HD12 H 1 0.58 0.02 . 1 . . . . 41 LEU HD1 . 15100 1 459 . 1 1 71 71 LEU HD13 H 1 0.58 0.02 . 1 . . . . 41 LEU HD1 . 15100 1 460 . 1 1 71 71 LEU HD21 H 1 0.89 0.02 . 1 . . . . 41 LEU HD2 . 15100 1 461 . 1 1 71 71 LEU HD22 H 1 0.89 0.02 . 1 . . . . 41 LEU HD2 . 15100 1 462 . 1 1 71 71 LEU HD23 H 1 0.89 0.02 . 1 . . . . 41 LEU HD2 . 15100 1 463 . 1 1 71 71 LEU C C 13 177.7 0.2 . 1 . . . . 41 LEU C . 15100 1 464 . 1 1 71 71 LEU CA C 13 54.6 0.2 . 1 . . . . 41 LEU CA . 15100 1 465 . 1 1 71 71 LEU CB C 13 43.5 0.2 . 1 . . . . 41 LEU CB . 15100 1 466 . 1 1 71 71 LEU CG C 13 27.8 0.2 . 1 . . . . 41 LEU CG . 15100 1 467 . 1 1 71 71 LEU CD1 C 13 28.4 0.02 . 1 . . . . 41 LEU CD1 . 15100 1 468 . 1 1 71 71 LEU CD2 C 13 25.5 0.02 . 1 . . . . 41 LEU CD2 . 15100 1 469 . 1 1 71 71 LEU N N 15 124.6 0.2 . 1 . . . . 41 LEU N . 15100 1 470 . 1 1 72 72 GLN H H 1 9.24 0.02 . 1 . . . . 42 GLN H . 15100 1 471 . 1 1 72 72 GLN HA H 1 4.54 0.02 . 1 . . . . 42 GLN HA . 15100 1 472 . 1 1 72 72 GLN HB2 H 1 2.2 0.02 . 2 . . . . 42 GLN HB2 . 15100 1 473 . 1 1 72 72 GLN HB3 H 1 2.38 0.02 . 2 . . . . 42 GLN HB3 . 15100 1 474 . 1 1 72 72 GLN HG2 H 1 2.31 0.02 . 2 . . . . 42 GLN HG2 . 15100 1 475 . 1 1 72 72 GLN HG3 H 1 2.51 0.02 . 2 . . . . 42 GLN HG3 . 15100 1 476 . 1 1 72 72 GLN HE21 H 1 7.32 0.02 . 2 . . . . 42 GLN HE21 . 15100 1 477 . 1 1 72 72 GLN HE22 H 1 6.6 0.02 . 2 . . . . 42 GLN HE22 . 15100 1 478 . 1 1 72 72 GLN C C 13 175 0.2 . 1 . . . . 42 GLN C . 15100 1 479 . 1 1 72 72 GLN CA C 13 55.6 0.2 . 1 . . . . 42 GLN CA . 15100 1 480 . 1 1 72 72 GLN CB C 13 29.7 0.2 . 1 . . . . 42 GLN CB . 15100 1 481 . 1 1 72 72 GLN CG C 13 33.9 0.2 . 1 . . . . 42 GLN CG . 15100 1 482 . 1 1 72 72 GLN CD C 13 179.3 0.2 . 1 . . . . 42 GLN CD . 15100 1 483 . 1 1 72 72 GLN N N 15 122 0.2 . 1 . . . . 42 GLN N . 15100 1 484 . 1 1 72 72 GLN NE2 N 15 110.1 0.2 . 1 . . . . 42 GLN NE2 . 15100 1 485 . 1 1 73 73 VAL H H 1 8.57 0.02 . 1 . . . . 43 VAL H . 15100 1 486 . 1 1 73 73 VAL HA H 1 4.31 0.02 . 1 . . . . 43 VAL HA . 15100 1 487 . 1 1 73 73 VAL HB H 1 2.01 0.02 . 1 . . . . 43 VAL HB . 15100 1 488 . 1 1 73 73 VAL HG11 H 1 0.7 0.02 . 1 . . . . 43 VAL HG1 . 15100 1 489 . 1 1 73 73 VAL HG12 H 1 0.7 0.02 . 1 . . . . 43 VAL HG1 . 15100 1 490 . 1 1 73 73 VAL HG13 H 1 0.7 0.02 . 1 . . . . 43 VAL HG1 . 15100 1 491 . 1 1 73 73 VAL HG21 H 1 1.06 0.02 . 1 . . . . 43 VAL HG2 . 15100 1 492 . 1 1 73 73 VAL HG22 H 1 1.06 0.02 . 1 . . . . 43 VAL HG2 . 15100 1 493 . 1 1 73 73 VAL HG23 H 1 1.06 0.02 . 1 . . . . 43 VAL HG2 . 15100 1 494 . 1 1 73 73 VAL C C 13 175.7 0.2 . 1 . . . . 43 VAL C . 15100 1 495 . 1 1 73 73 VAL CA C 13 62.3 0.2 . 1 . . . . 43 VAL CA . 15100 1 496 . 1 1 73 73 VAL CB C 13 32.1 0.2 . 1 . . . . 43 VAL CB . 15100 1 497 . 1 1 73 73 VAL CG1 C 13 21.6 0.02 . 1 . . . . 43 VAL CG1 . 15100 1 498 . 1 1 73 73 VAL CG2 C 13 20.9 0.02 . 1 . . . . 43 VAL CG2 . 15100 1 499 . 1 1 73 73 VAL N N 15 126.6 0.2 . 1 . . . . 43 VAL N . 15100 1 500 . 1 1 74 74 LEU H H 1 9.01 0.02 . 1 . . . . 44 LEU H . 15100 1 501 . 1 1 74 74 LEU HA H 1 4.54 0.02 . 1 . . . . 44 LEU HA . 15100 1 502 . 1 1 74 74 LEU HB2 H 1 1.34 0.02 . 2 . . . . 44 LEU HB2 . 15100 1 503 . 1 1 74 74 LEU HB3 H 1 1.6 0.02 . 2 . . . . 44 LEU HB3 . 15100 1 504 . 1 1 74 74 LEU HG H 1 1.41 0.02 . 1 . . . . 44 LEU HG . 15100 1 505 . 1 1 74 74 LEU HD11 H 1 0.65 0.02 . 1 . . . . 44 LEU HD1 . 15100 1 506 . 1 1 74 74 LEU HD12 H 1 0.65 0.02 . 1 . . . . 44 LEU HD1 . 15100 1 507 . 1 1 74 74 LEU HD13 H 1 0.65 0.02 . 1 . . . . 44 LEU HD1 . 15100 1 508 . 1 1 74 74 LEU HD21 H 1 0.66 0.02 . 1 . . . . 44 LEU HD2 . 15100 1 509 . 1 1 74 74 LEU HD22 H 1 0.66 0.02 . 1 . . . . 44 LEU HD2 . 15100 1 510 . 1 1 74 74 LEU HD23 H 1 0.66 0.02 . 1 . . . . 44 LEU HD2 . 15100 1 511 . 1 1 74 74 LEU C C 13 175.7 0.2 . 1 . . . . 44 LEU C . 15100 1 512 . 1 1 74 74 LEU CA C 13 53.6 0.2 . 1 . . . . 44 LEU CA . 15100 1 513 . 1 1 74 74 LEU CB C 13 42.6 0.2 . 1 . . . . 44 LEU CB . 15100 1 514 . 1 1 74 74 LEU CG C 13 27 0.2 . 1 . . . . 44 LEU CG . 15100 1 515 . 1 1 74 74 LEU CD1 C 13 25.5 0.02 . 1 . . . . 44 LEU CD1 . 15100 1 516 . 1 1 74 74 LEU CD2 C 13 23.5 0.02 . 1 . . . . 44 LEU CD2 . 15100 1 517 . 1 1 74 74 LEU N N 15 130.5 0.2 . 1 . . . . 44 LEU N . 15100 1 518 . 1 1 75 75 LYS H H 1 8.48 0.02 . 1 . . . . 45 LYS H . 15100 1 519 . 1 1 75 75 LYS HA H 1 4.88 0.02 . 1 . . . . 45 LYS HA . 15100 1 520 . 1 1 75 75 LYS HB2 H 1 1.7 0.02 . 2 . . . . 45 LYS HB2 . 15100 1 521 . 1 1 75 75 LYS HB3 H 1 1.82 0.02 . 2 . . . . 45 LYS HB3 . 15100 1 522 . 1 1 75 75 LYS HG2 H 1 1.3 0.02 . 2 . . . . 45 LYS HG2 . 15100 1 523 . 1 1 75 75 LYS HG3 H 1 1.38 0.02 . 2 . . . . 45 LYS HG3 . 15100 1 524 . 1 1 75 75 LYS HD2 H 1 1.68 0.02 . 1 . . . . 45 LYS HD2 . 15100 1 525 . 1 1 75 75 LYS HD3 H 1 1.68 0.02 . 1 . . . . 45 LYS HD3 . 15100 1 526 . 1 1 75 75 LYS HE2 H 1 2.94 0.02 . 1 . . . . 45 LYS HE2 . 15100 1 527 . 1 1 75 75 LYS HE3 H 1 2.94 0.02 . 1 . . . . 45 LYS HE3 . 15100 1 528 . 1 1 75 75 LYS C C 13 175.7 0.2 . 1 . . . . 45 LYS C . 15100 1 529 . 1 1 75 75 LYS CA C 13 55.8 0.2 . 1 . . . . 45 LYS CA . 15100 1 530 . 1 1 75 75 LYS CB C 13 33.8 0.2 . 1 . . . . 45 LYS CB . 15100 1 531 . 1 1 75 75 LYS CG C 13 25.3 0.2 . 1 . . . . 45 LYS CG . 15100 1 532 . 1 1 75 75 LYS CD C 13 29.5 0.2 . 1 . . . . 45 LYS CD . 15100 1 533 . 1 1 75 75 LYS CE C 13 41.9 0.2 . 1 . . . . 45 LYS CE . 15100 1 534 . 1 1 75 75 LYS N N 15 124.1 0.2 . 1 . . . . 45 LYS N . 15100 1 535 . 1 1 76 76 ALA H H 1 8.25 0.02 . 1 . . . . 46 ALA H . 15100 1 536 . 1 1 76 76 ALA HA H 1 4.56 0.02 . 1 . . . . 46 ALA HA . 15100 1 537 . 1 1 76 76 ALA HB1 H 1 1.36 0.02 . 1 . . . . 46 ALA HB . 15100 1 538 . 1 1 76 76 ALA HB2 H 1 1.36 0.02 . 1 . . . . 46 ALA HB . 15100 1 539 . 1 1 76 76 ALA HB3 H 1 1.36 0.02 . 1 . . . . 46 ALA HB . 15100 1 540 . 1 1 76 76 ALA CA C 13 52.1 0.2 . 1 . . . . 46 ALA CA . 15100 1 541 . 1 1 76 76 ALA CB C 13 20.9 0.2 . 1 . . . . 46 ALA CB . 15100 1 542 . 1 1 76 76 ALA N N 15 126.6 0.2 . 1 . . . . 46 ALA N . 15100 1 543 . 1 1 77 77 CYS HA H 1 4.14 0.02 . 1 . . . . 47 CYS HA . 15100 1 544 . 1 1 77 77 CYS HB2 H 1 2.93 0.02 . 2 . . . . 47 CYS HB2 . 15100 1 545 . 1 1 77 77 CYS HB3 H 1 3.1 0.02 . 2 . . . . 47 CYS HB3 . 15100 1 546 . 1 1 77 77 CYS CA C 13 59.9 0.2 . 1 . . . . 47 CYS CA . 15100 1 547 . 1 1 77 77 CYS CB C 13 25.9 0.2 . 1 . . . . 47 CYS CB . 15100 1 548 . 1 1 78 78 GLY HA2 H 1 3.72 0.02 . 2 . . . . 48 GLY HA2 . 15100 1 549 . 1 1 78 78 GLY HA3 H 1 4.11 0.02 . 2 . . . . 48 GLY HA3 . 15100 1 550 . 1 1 78 78 GLY C C 13 173.3 0.2 . 1 . . . . 48 GLY C . 15100 1 551 . 1 1 78 78 GLY CA C 13 45.6 0.2 . 1 . . . . 48 GLY CA . 15100 1 552 . 1 1 79 79 ALA H H 1 7.83 0.02 . 1 . . . . 49 ALA H . 15100 1 553 . 1 1 79 79 ALA HA H 1 4.66 0.02 . 1 . . . . 49 ALA HA . 15100 1 554 . 1 1 79 79 ALA HB1 H 1 1.41 0.02 . 1 . . . . 49 ALA HB . 15100 1 555 . 1 1 79 79 ALA HB2 H 1 1.41 0.02 . 1 . . . . 49 ALA HB . 15100 1 556 . 1 1 79 79 ALA HB3 H 1 1.41 0.02 . 1 . . . . 49 ALA HB . 15100 1 557 . 1 1 79 79 ALA C C 13 176.2 0.2 . 1 . . . . 49 ALA C . 15100 1 558 . 1 1 79 79 ALA CA C 13 51.3 0.2 . 1 . . . . 49 ALA CA . 15100 1 559 . 1 1 79 79 ALA CB C 13 21.4 0.2 . 1 . . . . 49 ALA CB . 15100 1 560 . 1 1 79 79 ALA N N 15 124.1 0.2 . 1 . . . . 49 ALA N . 15100 1 561 . 1 1 80 80 VAL H H 1 8.09 0.02 . 1 . . . . 50 VAL H . 15100 1 562 . 1 1 80 80 VAL HA H 1 4.63 0.02 . 1 . . . . 50 VAL HA . 15100 1 563 . 1 1 80 80 VAL HB H 1 1.83 0.02 . 1 . . . . 50 VAL HB . 15100 1 564 . 1 1 80 80 VAL HG11 H 1 0.57 0.02 . 1 . . . . 50 VAL HG1 . 15100 1 565 . 1 1 80 80 VAL HG12 H 1 0.57 0.02 . 1 . . . . 50 VAL HG1 . 15100 1 566 . 1 1 80 80 VAL HG13 H 1 0.57 0.02 . 1 . . . . 50 VAL HG1 . 15100 1 567 . 1 1 80 80 VAL HG21 H 1 0.76 0.02 . 1 . . . . 50 VAL HG2 . 15100 1 568 . 1 1 80 80 VAL HG22 H 1 0.76 0.02 . 1 . . . . 50 VAL HG2 . 15100 1 569 . 1 1 80 80 VAL HG23 H 1 0.76 0.02 . 1 . . . . 50 VAL HG2 . 15100 1 570 . 1 1 80 80 VAL C C 13 174.3 0.2 . 1 . . . . 50 VAL C . 15100 1 571 . 1 1 80 80 VAL CA C 13 61.5 0.2 . 1 . . . . 50 VAL CA . 15100 1 572 . 1 1 80 80 VAL CB C 13 34.2 0.2 . 1 . . . . 50 VAL CB . 15100 1 573 . 1 1 80 80 VAL CG1 C 13 21.3 0.02 . 1 . . . . 50 VAL CG1 . 15100 1 574 . 1 1 80 80 VAL CG2 C 13 21.1 0.02 . 1 . . . . 50 VAL CG2 . 15100 1 575 . 1 1 80 80 VAL N N 15 119.8 0.2 . 1 . . . . 50 VAL N . 15100 1 576 . 1 1 81 81 ASP H H 1 8.55 0.02 . 1 . . . . 51 ASP H . 15100 1 577 . 1 1 81 81 ASP HA H 1 5.08 0.02 . 1 . . . . 51 ASP HA . 15100 1 578 . 1 1 81 81 ASP HB2 H 1 2.39 0.02 . 2 . . . . 51 ASP HB2 . 15100 1 579 . 1 1 81 81 ASP HB3 H 1 2.52 0.02 . 2 . . . . 51 ASP HB3 . 15100 1 580 . 1 1 81 81 ASP C C 13 173.6 0.2 . 1 . . . . 51 ASP C . 15100 1 581 . 1 1 81 81 ASP CA C 13 52.9 0.2 . 1 . . . . 51 ASP CA . 15100 1 582 . 1 1 81 81 ASP CB C 13 45.5 0.2 . 1 . . . . 51 ASP CB . 15100 1 583 . 1 1 81 81 ASP N N 15 125.5 0.2 . 1 . . . . 51 ASP N . 15100 1 584 . 1 1 82 82 TYR H H 1 8.97 0.02 . 1 . . . . 52 TYR H . 15100 1 585 . 1 1 82 82 TYR HA H 1 5.14 0.02 . 1 . . . . 52 TYR HA . 15100 1 586 . 1 1 82 82 TYR HB2 H 1 2.76 0.02 . 2 . . . . 52 TYR HB2 . 15100 1 587 . 1 1 82 82 TYR HB3 H 1 3.07 0.02 . 2 . . . . 52 TYR HB3 . 15100 1 588 . 1 1 82 82 TYR HD1 H 1 6.97 0.02 . 1 . . . . 52 TYR HD1 . 15100 1 589 . 1 1 82 82 TYR HD2 H 1 6.97 0.02 . 1 . . . . 52 TYR HD2 . 15100 1 590 . 1 1 82 82 TYR HE1 H 1 6.75 0.02 . 1 . . . . 52 TYR HE1 . 15100 1 591 . 1 1 82 82 TYR HE2 H 1 6.75 0.02 . 1 . . . . 52 TYR HE2 . 15100 1 592 . 1 1 82 82 TYR C C 13 174.6 0.2 . 1 . . . . 52 TYR C . 15100 1 593 . 1 1 82 82 TYR CA C 13 57.4 0.2 . 1 . . . . 52 TYR CA . 15100 1 594 . 1 1 82 82 TYR CB C 13 41.2 0.2 . 1 . . . . 52 TYR CB . 15100 1 595 . 1 1 82 82 TYR CD1 C 13 133.3 0.02 . 1 . . . . 52 TYR CD1 . 15100 1 596 . 1 1 82 82 TYR CD2 C 13 133.3 0.02 . 1 . . . . 52 TYR CD2 . 15100 1 597 . 1 1 82 82 TYR CE1 C 13 117.6 0.02 . 1 . . . . 52 TYR CE1 . 15100 1 598 . 1 1 82 82 TYR CE2 C 13 117.6 0.02 . 1 . . . . 52 TYR CE2 . 15100 1 599 . 1 1 82 82 TYR N N 15 118.7 0.2 . 1 . . . . 52 TYR N . 15100 1 600 . 1 1 83 83 PHE H H 1 9.21 0.02 . 1 . . . . 53 PHE H . 15100 1 601 . 1 1 83 83 PHE HA H 1 5.08 0.02 . 1 . . . . 53 PHE HA . 15100 1 602 . 1 1 83 83 PHE HB2 H 1 2.69 0.02 . 2 . . . . 53 PHE HB2 . 15100 1 603 . 1 1 83 83 PHE HB3 H 1 2.98 0.02 . 2 . . . . 53 PHE HB3 . 15100 1 604 . 1 1 83 83 PHE HD1 H 1 6.98 0.02 . 1 . . . . 53 PHE HD1 . 15100 1 605 . 1 1 83 83 PHE HD2 H 1 6.98 0.02 . 1 . . . . 53 PHE HD2 . 15100 1 606 . 1 1 83 83 PHE HE1 H 1 7.28 0.02 . 1 . . . . 53 PHE HE1 . 15100 1 607 . 1 1 83 83 PHE HE2 H 1 7.28 0.02 . 1 . . . . 53 PHE HE2 . 15100 1 608 . 1 1 83 83 PHE HZ H 1 7.29 0.02 . 1 . . . . 53 PHE HZ . 15100 1 609 . 1 1 83 83 PHE C C 13 173.2 0.2 . 1 . . . . 53 PHE C . 15100 1 610 . 1 1 83 83 PHE CA C 13 56.6 0.2 . 1 . . . . 53 PHE CA . 15100 1 611 . 1 1 83 83 PHE CB C 13 44.4 0.2 . 1 . . . . 53 PHE CB . 15100 1 612 . 1 1 83 83 PHE CD1 C 13 131.5 0.02 . 1 . . . . 53 PHE CD1 . 15100 1 613 . 1 1 83 83 PHE CD2 C 13 131.5 0.02 . 1 . . . . 53 PHE CD2 . 15100 1 614 . 1 1 83 83 PHE CE1 C 13 131.6 0.02 . 1 . . . . 53 PHE CE1 . 15100 1 615 . 1 1 83 83 PHE CE2 C 13 131.6 0.02 . 1 . . . . 53 PHE CE2 . 15100 1 616 . 1 1 83 83 PHE CZ C 13 130 0.2 . 1 . . . . 53 PHE CZ . 15100 1 617 . 1 1 83 83 PHE N N 15 123.3 0.2 . 1 . . . . 53 PHE N . 15100 1 618 . 1 1 84 84 CYS H H 1 9.13 0.02 . 1 . . . . 54 CYS H . 15100 1 619 . 1 1 84 84 CYS HA H 1 4.82 0.02 . 1 . . . . 54 CYS HA . 15100 1 620 . 1 1 84 84 CYS HB2 H 1 2.78 0.02 . 2 . . . . 54 CYS HB2 . 15100 1 621 . 1 1 84 84 CYS HB3 H 1 2.82 0.02 . 2 . . . . 54 CYS HB3 . 15100 1 622 . 1 1 84 84 CYS C C 13 175.9 0.2 . 1 . . . . 54 CYS C . 15100 1 623 . 1 1 84 84 CYS CA C 13 58.3 0.2 . 1 . . . . 54 CYS CA . 15100 1 624 . 1 1 84 84 CYS CB C 13 29.7 0.2 . 1 . . . . 54 CYS CB . 15100 1 625 . 1 1 84 84 CYS N N 15 131 0.2 . 1 . . . . 54 CYS N . 15100 1 626 . 1 1 85 85 GLN H H 1 9.5 0.02 . 1 . . . . 55 GLN H . 15100 1 627 . 1 1 85 85 GLN HA H 1 4.2 0.02 . 1 . . . . 55 GLN HA . 15100 1 628 . 1 1 85 85 GLN HB2 H 1 1.89 0.02 . 2 . . . . 55 GLN HB2 . 15100 1 629 . 1 1 85 85 GLN HB3 H 1 2.03 0.02 . 2 . . . . 55 GLN HB3 . 15100 1 630 . 1 1 85 85 GLN HG2 H 1 2.04 0.02 . 2 . . . . 55 GLN HG2 . 15100 1 631 . 1 1 85 85 GLN HG3 H 1 2.29 0.02 . 2 . . . . 55 GLN HG3 . 15100 1 632 . 1 1 85 85 GLN HE21 H 1 7.45 0.02 . 2 . . . . 55 GLN HE21 . 15100 1 633 . 1 1 85 85 GLN HE22 H 1 6.87 0.02 . 2 . . . . 55 GLN HE22 . 15100 1 634 . 1 1 85 85 GLN C C 13 174.7 0.2 . 1 . . . . 55 GLN C . 15100 1 635 . 1 1 85 85 GLN CA C 13 56.7 0.2 . 1 . . . . 55 GLN CA . 15100 1 636 . 1 1 85 85 GLN CB C 13 29 0.2 . 1 . . . . 55 GLN CB . 15100 1 637 . 1 1 85 85 GLN CG C 13 33.8 0.2 . 1 . . . . 55 GLN CG . 15100 1 638 . 1 1 85 85 GLN CD C 13 180.1 0.2 . 1 . . . . 55 GLN CD . 15100 1 639 . 1 1 85 85 GLN N N 15 129 0.2 . 1 . . . . 55 GLN N . 15100 1 640 . 1 1 85 85 GLN NE2 N 15 112.1 0.2 . 1 . . . . 55 GLN NE2 . 15100 1 641 . 1 1 86 86 HIS H H 1 8.88 0.02 . 1 . . . . 56 HIS H . 15100 1 642 . 1 1 86 86 HIS HA H 1 4.6 0.02 . 1 . . . . 56 HIS HA . 15100 1 643 . 1 1 86 86 HIS HB2 H 1 3.09 0.02 . 2 . . . . 56 HIS HB2 . 15100 1 644 . 1 1 86 86 HIS HB3 H 1 3.32 0.02 . 2 . . . . 56 HIS HB3 . 15100 1 645 . 1 1 86 86 HIS HD2 H 1 7.26 0.02 . 1 . . . . 56 HIS HD2 . 15100 1 646 . 1 1 86 86 HIS C C 13 175 0.2 . 1 . . . . 56 HIS C . 15100 1 647 . 1 1 86 86 HIS CA C 13 55.3 0.2 . 1 . . . . 56 HIS CA . 15100 1 648 . 1 1 86 86 HIS CB C 13 30.3 0.2 . 1 . . . . 56 HIS CB . 15100 1 649 . 1 1 86 86 HIS CD2 C 13 121.2 0.2 . 1 . . . . 56 HIS CD2 . 15100 1 650 . 1 1 86 86 HIS N N 15 122.5 0.2 . 1 . . . . 56 HIS N . 15100 1 651 . 1 1 87 87 GLY H H 1 7.29 0.02 . 1 . . . . 57 GLY H . 15100 1 652 . 1 1 87 87 GLY HA2 H 1 3.48 0.02 . 2 . . . . 57 GLY HA2 . 15100 1 653 . 1 1 87 87 GLY HA3 H 1 4.17 0.02 . 2 . . . . 57 GLY HA3 . 15100 1 654 . 1 1 87 87 GLY C C 13 175.8 0.2 . 1 . . . . 57 GLY C . 15100 1 655 . 1 1 87 87 GLY CA C 13 45.1 0.2 . 1 . . . . 57 GLY CA . 15100 1 656 . 1 1 87 87 GLY N N 15 105.8 0.2 . 1 . . . . 57 GLY N . 15100 1 657 . 1 1 88 88 HIS H H 1 7.49 0.02 . 1 . . . . 58 HIS H . 15100 1 658 . 1 1 88 88 HIS HA H 1 4.68 0.02 . 1 . . . . 58 HIS HA . 15100 1 659 . 1 1 88 88 HIS HB2 H 1 3.09 0.02 . 2 . . . . 58 HIS HB2 . 15100 1 660 . 1 1 88 88 HIS HB3 H 1 3.42 0.02 . 2 . . . . 58 HIS HB3 . 15100 1 661 . 1 1 88 88 HIS HD2 H 1 7.18 0.02 . 1 . . . . 58 HIS HD2 . 15100 1 662 . 1 1 88 88 HIS HE1 H 1 7.66 0.02 . 1 . . . . 58 HIS HE1 . 15100 1 663 . 1 1 88 88 HIS C C 13 174.2 0.2 . 1 . . . . 58 HIS C . 15100 1 664 . 1 1 88 88 HIS CA C 13 59.9 0.2 . 1 . . . . 58 HIS CA . 15100 1 665 . 1 1 88 88 HIS CB C 13 30.1 0.2 . 1 . . . . 58 HIS CB . 15100 1 666 . 1 1 88 88 HIS CD2 C 13 118 0.2 . 1 . . . . 58 HIS CD2 . 15100 1 667 . 1 1 88 88 HIS CE1 C 13 137.6 0.2 . 1 . . . . 58 HIS CE1 . 15100 1 668 . 1 1 88 88 HIS N N 15 116.4 0.2 . 1 . . . . 58 HIS N . 15100 1 669 . 1 1 89 89 GLY H H 1 7.61 0.02 . 1 . . . . 59 GLY H . 15100 1 670 . 1 1 89 89 GLY HA2 H 1 3 0.02 . 2 . . . . 59 GLY HA2 . 15100 1 671 . 1 1 89 89 GLY HA3 H 1 3.77 0.02 . 2 . . . . 59 GLY HA3 . 15100 1 672 . 1 1 89 89 GLY C C 13 173.1 0.2 . 1 . . . . 59 GLY C . 15100 1 673 . 1 1 89 89 GLY CA C 13 45.7 0.2 . 1 . . . . 59 GLY CA . 15100 1 674 . 1 1 89 89 GLY N N 15 108 0.2 . 1 . . . . 59 GLY N . 15100 1 675 . 1 1 90 90 LEU H H 1 8.43 0.02 . 1 . . . . 60 LEU H . 15100 1 676 . 1 1 90 90 LEU HA H 1 4.72 0.02 . 1 . . . . 60 LEU HA . 15100 1 677 . 1 1 90 90 LEU HB2 H 1 1.69 0.02 . 2 . . . . 60 LEU HB2 . 15100 1 678 . 1 1 90 90 LEU HB3 H 1 1.73 0.02 . 2 . . . . 60 LEU HB3 . 15100 1 679 . 1 1 90 90 LEU HG H 1 1.72 0.02 . 1 . . . . 60 LEU HG . 15100 1 680 . 1 1 90 90 LEU HD11 H 1 1.01 0.02 . 1 . . . . 60 LEU HD1 . 15100 1 681 . 1 1 90 90 LEU HD12 H 1 1.01 0.02 . 1 . . . . 60 LEU HD1 . 15100 1 682 . 1 1 90 90 LEU HD13 H 1 1.01 0.02 . 1 . . . . 60 LEU HD1 . 15100 1 683 . 1 1 90 90 LEU HD21 H 1 0.99 0.02 . 1 . . . . 60 LEU HD2 . 15100 1 684 . 1 1 90 90 LEU HD22 H 1 0.99 0.02 . 1 . . . . 60 LEU HD2 . 15100 1 685 . 1 1 90 90 LEU HD23 H 1 0.99 0.02 . 1 . . . . 60 LEU HD2 . 15100 1 686 . 1 1 90 90 LEU C C 13 176.9 0.2 . 1 . . . . 60 LEU C . 15100 1 687 . 1 1 90 90 LEU CA C 13 55.9 0.2 . 1 . . . . 60 LEU CA . 15100 1 688 . 1 1 90 90 LEU CB C 13 42.4 0.2 . 1 . . . . 60 LEU CB . 15100 1 689 . 1 1 90 90 LEU CG C 13 27.4 0.2 . 1 . . . . 60 LEU CG . 15100 1 690 . 1 1 90 90 LEU CD1 C 13 25 0.02 . 1 . . . . 60 LEU CD1 . 15100 1 691 . 1 1 90 90 LEU CD2 C 13 24.7 0.02 . 1 . . . . 60 LEU CD2 . 15100 1 692 . 1 1 90 90 LEU N N 15 124.4 0.2 . 1 . . . . 60 LEU N . 15100 1 693 . 1 1 91 91 ILE H H 1 8.75 0.02 . 1 . . . . 61 ILE H . 15100 1 694 . 1 1 91 91 ILE HA H 1 4.3 0.02 . 1 . . . . 61 ILE HA . 15100 1 695 . 1 1 91 91 ILE HB H 1 1.85 0.02 . 1 . . . . 61 ILE HB . 15100 1 696 . 1 1 91 91 ILE HG12 H 1 1.25 0.02 . 2 . . . . 61 ILE HG12 . 15100 1 697 . 1 1 91 91 ILE HG13 H 1 1.84 0.02 . 2 . . . . 61 ILE HG13 . 15100 1 698 . 1 1 91 91 ILE HG21 H 1 0.78 0.02 . 1 . . . . 61 ILE HG2 . 15100 1 699 . 1 1 91 91 ILE HG22 H 1 0.78 0.02 . 1 . . . . 61 ILE HG2 . 15100 1 700 . 1 1 91 91 ILE HG23 H 1 0.78 0.02 . 1 . . . . 61 ILE HG2 . 15100 1 701 . 1 1 91 91 ILE HD11 H 1 0.64 0.02 . 1 . . . . 61 ILE HD1 . 15100 1 702 . 1 1 91 91 ILE HD12 H 1 0.64 0.02 . 1 . . . . 61 ILE HD1 . 15100 1 703 . 1 1 91 91 ILE HD13 H 1 0.64 0.02 . 1 . . . . 61 ILE HD1 . 15100 1 704 . 1 1 91 91 ILE C C 13 175.7 0.2 . 1 . . . . 61 ILE C . 15100 1 705 . 1 1 91 91 ILE CA C 13 57.3 0.2 . 1 . . . . 61 ILE CA . 15100 1 706 . 1 1 91 91 ILE CB C 13 37.9 0.2 . 1 . . . . 61 ILE CB . 15100 1 707 . 1 1 91 91 ILE CG1 C 13 27.2 0.2 . 1 . . . . 61 ILE CG1 . 15100 1 708 . 1 1 91 91 ILE CG2 C 13 18.2 0.2 . 1 . . . . 61 ILE CG2 . 15100 1 709 . 1 1 91 91 ILE CD1 C 13 9.8 0.2 . 1 . . . . 61 ILE CD1 . 15100 1 710 . 1 1 91 91 ILE N N 15 128.4 0.2 . 1 . . . . 61 ILE N . 15100 1 711 . 1 1 92 92 SER H H 1 8.46 0.02 . 1 . . . . 62 SER H . 15100 1 712 . 1 1 92 92 SER HA H 1 4.45 0.02 . 1 . . . . 62 SER HA . 15100 1 713 . 1 1 92 92 SER HB2 H 1 3.84 0.02 . 2 . . . . 62 SER HB2 . 15100 1 714 . 1 1 92 92 SER HB3 H 1 4.1 0.02 . 2 . . . . 62 SER HB3 . 15100 1 715 . 1 1 92 92 SER C C 13 176.5 0.2 . 1 . . . . 62 SER C . 15100 1 716 . 1 1 92 92 SER CA C 13 58.6 0.2 . 1 . . . . 62 SER CA . 15100 1 717 . 1 1 92 92 SER CB C 13 63.7 0.2 . 1 . . . . 62 SER CB . 15100 1 718 . 1 1 92 92 SER N N 15 121.7 0.2 . 1 . . . . 62 SER N . 15100 1 719 . 1 1 93 93 LYS H H 1 9.04 0.02 . 1 . . . . 63 LYS H . 15100 1 720 . 1 1 93 93 LYS HA H 1 3.88 0.02 . 1 . . . . 63 LYS HA . 15100 1 721 . 1 1 93 93 LYS HB2 H 1 2.06 0.02 . 2 . . . . 63 LYS HB2 . 15100 1 722 . 1 1 93 93 LYS HB3 H 1 2.21 0.02 . 2 . . . . 63 LYS HB3 . 15100 1 723 . 1 1 93 93 LYS HG2 H 1 1.7 0.02 . 1 . . . . 63 LYS HG2 . 15100 1 724 . 1 1 93 93 LYS HG3 H 1 1.7 0.02 . 1 . . . . 63 LYS HG3 . 15100 1 725 . 1 1 93 93 LYS HD2 H 1 1.96 0.02 . 1 . . . . 63 LYS HD2 . 15100 1 726 . 1 1 93 93 LYS HD3 H 1 1.96 0.02 . 1 . . . . 63 LYS HD3 . 15100 1 727 . 1 1 93 93 LYS HE2 H 1 3.15 0.02 . 2 . . . . 63 LYS HE2 . 15100 1 728 . 1 1 93 93 LYS HE3 H 1 3.2 0.02 . 2 . . . . 63 LYS HE3 . 15100 1 729 . 1 1 93 93 LYS C C 13 178.1 0.2 . 1 . . . . 63 LYS C . 15100 1 730 . 1 1 93 93 LYS CA C 13 60.4 0.2 . 1 . . . . 63 LYS CA . 15100 1 731 . 1 1 93 93 LYS CB C 13 32.3 0.2 . 1 . . . . 63 LYS CB . 15100 1 732 . 1 1 93 93 LYS CG C 13 25.5 0.2 . 1 . . . . 63 LYS CG . 15100 1 733 . 1 1 93 93 LYS CD C 13 29.5 0.2 . 1 . . . . 63 LYS CD . 15100 1 734 . 1 1 93 93 LYS CE C 13 42.3 0.2 . 1 . . . . 63 LYS CE . 15100 1 735 . 1 1 93 93 LYS N N 15 126.7 0.2 . 1 . . . . 63 LYS N . 15100 1 736 . 1 1 94 94 LYS H H 1 8.04 0.02 . 1 . . . . 64 LYS H . 15100 1 737 . 1 1 94 94 LYS HA H 1 4.22 0.02 . 1 . . . . 64 LYS HA . 15100 1 738 . 1 1 94 94 LYS HB2 H 1 1.84 0.02 . 2 . . . . 64 LYS HB2 . 15100 1 739 . 1 1 94 94 LYS HB3 H 1 1.9 0.02 . 2 . . . . 64 LYS HB3 . 15100 1 740 . 1 1 94 94 LYS HG2 H 1 1.5 0.02 . 1 . . . . 64 LYS HG2 . 15100 1 741 . 1 1 94 94 LYS HG3 H 1 1.5 0.02 . 1 . . . . 64 LYS HG3 . 15100 1 742 . 1 1 94 94 LYS HD2 H 1 1.74 0.02 . 1 . . . . 64 LYS HD2 . 15100 1 743 . 1 1 94 94 LYS HD3 H 1 1.74 0.02 . 1 . . . . 64 LYS HD3 . 15100 1 744 . 1 1 94 94 LYS HE2 H 1 3.04 0.02 . 1 . . . . 64 LYS HE2 . 15100 1 745 . 1 1 94 94 LYS HE3 H 1 3.04 0.02 . 1 . . . . 64 LYS HE3 . 15100 1 746 . 1 1 94 94 LYS C C 13 176.9 0.2 . 1 . . . . 64 LYS C . 15100 1 747 . 1 1 94 94 LYS CA C 13 57.9 0.2 . 1 . . . . 64 LYS CA . 15100 1 748 . 1 1 94 94 LYS CB C 13 32.4 0.2 . 1 . . . . 64 LYS CB . 15100 1 749 . 1 1 94 94 LYS CG C 13 25.1 0.2 . 1 . . . . 64 LYS CG . 15100 1 750 . 1 1 94 94 LYS CD C 13 29.1 0.2 . 1 . . . . 64 LYS CD . 15100 1 751 . 1 1 94 94 LYS CE C 13 42 0.2 . 1 . . . . 64 LYS CE . 15100 1 752 . 1 1 94 94 LYS N N 15 114.8 0.2 . 1 . . . . 64 LYS N . 15100 1 753 . 1 1 95 95 ARG H H 1 7.99 0.02 . 1 . . . . 65 ARG H . 15100 1 754 . 1 1 95 95 ARG HA H 1 4.35 0.02 . 1 . . . . 65 ARG HA . 15100 1 755 . 1 1 95 95 ARG HB2 H 1 1.69 0.02 . 2 . . . . 65 ARG HB2 . 15100 1 756 . 1 1 95 95 ARG HB3 H 1 1.94 0.02 . 2 . . . . 65 ARG HB3 . 15100 1 757 . 1 1 95 95 ARG HG2 H 1 1.53 0.02 . 2 . . . . 65 ARG HG2 . 15100 1 758 . 1 1 95 95 ARG HG3 H 1 1.63 0.02 . 2 . . . . 65 ARG HG3 . 15100 1 759 . 1 1 95 95 ARG HD2 H 1 3.2 0.02 . 2 . . . . 65 ARG HD2 . 15100 1 760 . 1 1 95 95 ARG HD3 H 1 3.35 0.02 . 2 . . . . 65 ARG HD3 . 15100 1 761 . 1 1 95 95 ARG C C 13 176.1 0.2 . 1 . . . . 65 ARG C . 15100 1 762 . 1 1 95 95 ARG CA C 13 56 0.2 . 1 . . . . 65 ARG CA . 15100 1 763 . 1 1 95 95 ARG CB C 13 32.4 0.2 . 1 . . . . 65 ARG CB . 15100 1 764 . 1 1 95 95 ARG CG C 13 28.7 0.2 . 1 . . . . 65 ARG CG . 15100 1 765 . 1 1 95 95 ARG CD C 13 43.5 0.2 . 1 . . . . 65 ARG CD . 15100 1 766 . 1 1 95 95 ARG N N 15 116.5 0.2 . 1 . . . . 65 ARG N . 15100 1 767 . 1 1 96 96 VAL H H 1 6.82 0.02 . 1 . . . . 66 VAL H . 15100 1 768 . 1 1 96 96 VAL HA H 1 2.85 0.02 . 1 . . . . 66 VAL HA . 15100 1 769 . 1 1 96 96 VAL HB H 1 1.33 0.02 . 1 . . . . 66 VAL HB . 15100 1 770 . 1 1 96 96 VAL HG11 H 1 -0.55 0.02 . 1 . . . . 66 VAL HG1 . 15100 1 771 . 1 1 96 96 VAL HG12 H 1 -0.55 0.02 . 1 . . . . 66 VAL HG1 . 15100 1 772 . 1 1 96 96 VAL HG13 H 1 -0.55 0.02 . 1 . . . . 66 VAL HG1 . 15100 1 773 . 1 1 96 96 VAL HG21 H 1 0.21 0.02 . 1 . . . . 66 VAL HG2 . 15100 1 774 . 1 1 96 96 VAL HG22 H 1 0.21 0.02 . 1 . . . . 66 VAL HG2 . 15100 1 775 . 1 1 96 96 VAL HG23 H 1 0.21 0.02 . 1 . . . . 66 VAL HG2 . 15100 1 776 . 1 1 96 96 VAL C C 13 174.4 0.2 . 1 . . . . 66 VAL C . 15100 1 777 . 1 1 96 96 VAL CA C 13 65.2 0.2 . 1 . . . . 66 VAL CA . 15100 1 778 . 1 1 96 96 VAL CB C 13 32.3 0.2 . 1 . . . . 66 VAL CB . 15100 1 779 . 1 1 96 96 VAL CG1 C 13 21.1 0.02 . 1 . . . . 66 VAL CG1 . 15100 1 780 . 1 1 96 96 VAL CG2 C 13 23.1 0.02 . 1 . . . . 66 VAL CG2 . 15100 1 781 . 1 1 96 96 VAL N N 15 120 0.2 . 1 . . . . 66 VAL N . 15100 1 782 . 1 1 97 97 GLU H H 1 7.29 0.02 . 1 . . . . 67 GLU H . 15100 1 783 . 1 1 97 97 GLU HA H 1 4.38 0.02 . 1 . . . . 67 GLU HA . 15100 1 784 . 1 1 97 97 GLU HB2 H 1 1.62 0.02 . 2 . . . . 67 GLU HB2 . 15100 1 785 . 1 1 97 97 GLU HB3 H 1 1.84 0.02 . 2 . . . . 67 GLU HB3 . 15100 1 786 . 1 1 97 97 GLU HG2 H 1 1.99 0.02 . 2 . . . . 67 GLU HG2 . 15100 1 787 . 1 1 97 97 GLU HG3 H 1 2.09 0.02 . 2 . . . . 67 GLU HG3 . 15100 1 788 . 1 1 97 97 GLU C C 13 173.8 0.2 . 1 . . . . 67 GLU C . 15100 1 789 . 1 1 97 97 GLU CA C 13 54.5 0.2 . 1 . . . . 67 GLU CA . 15100 1 790 . 1 1 97 97 GLU CB C 13 30.7 0.2 . 1 . . . . 67 GLU CB . 15100 1 791 . 1 1 97 97 GLU CG C 13 35.9 0.2 . 1 . . . . 67 GLU CG . 15100 1 792 . 1 1 97 97 GLU N N 15 126.2 0.2 . 1 . . . . 67 GLU N . 15100 1 793 . 1 1 98 98 PHE H H 1 8.35 0.02 . 1 . . . . 68 PHE H . 15100 1 794 . 1 1 98 98 PHE HA H 1 5.4 0.02 . 1 . . . . 68 PHE HA . 15100 1 795 . 1 1 98 98 PHE HB2 H 1 2.71 0.02 . 2 . . . . 68 PHE HB2 . 15100 1 796 . 1 1 98 98 PHE HB3 H 1 2.87 0.02 . 2 . . . . 68 PHE HB3 . 15100 1 797 . 1 1 98 98 PHE HD1 H 1 6.98 0.02 . 1 . . . . 68 PHE HD1 . 15100 1 798 . 1 1 98 98 PHE HD2 H 1 6.98 0.02 . 1 . . . . 68 PHE HD2 . 15100 1 799 . 1 1 98 98 PHE HE1 H 1 7.2 0.02 . 1 . . . . 68 PHE HE1 . 15100 1 800 . 1 1 98 98 PHE HE2 H 1 7.2 0.02 . 1 . . . . 68 PHE HE2 . 15100 1 801 . 1 1 98 98 PHE HZ H 1 6.95 0.02 . 1 . . . . 68 PHE HZ . 15100 1 802 . 1 1 98 98 PHE C C 13 176.2 0.2 . 1 . . . . 68 PHE C . 15100 1 803 . 1 1 98 98 PHE CA C 13 57.8 0.2 . 1 . . . . 68 PHE CA . 15100 1 804 . 1 1 98 98 PHE CB C 13 41.1 0.2 . 1 . . . . 68 PHE CB . 15100 1 805 . 1 1 98 98 PHE CD1 C 13 132.1 0.02 . 1 . . . . 68 PHE CD1 . 15100 1 806 . 1 1 98 98 PHE CD2 C 13 132.1 0.02 . 1 . . . . 68 PHE CD2 . 15100 1 807 . 1 1 98 98 PHE CE1 C 13 131.5 0.02 . 1 . . . . 68 PHE CE1 . 15100 1 808 . 1 1 98 98 PHE CE2 C 13 131.5 0.02 . 1 . . . . 68 PHE CE2 . 15100 1 809 . 1 1 98 98 PHE CZ C 13 129.1 0.2 . 1 . . . . 68 PHE CZ . 15100 1 810 . 1 1 98 98 PHE N N 15 124.5 0.2 . 1 . . . . 68 PHE N . 15100 1 811 . 1 1 99 99 VAL H H 1 8.8 0.02 . 1 . . . . 69 VAL H . 15100 1 812 . 1 1 99 99 VAL HA H 1 4.72 0.02 . 1 . . . . 69 VAL HA . 15100 1 813 . 1 1 99 99 VAL HB H 1 2.25 0.02 . 1 . . . . 69 VAL HB . 15100 1 814 . 1 1 99 99 VAL HG11 H 1 0.85 0.02 . 1 . . . . 69 VAL HG1 . 15100 1 815 . 1 1 99 99 VAL HG12 H 1 0.85 0.02 . 1 . . . . 69 VAL HG1 . 15100 1 816 . 1 1 99 99 VAL HG13 H 1 0.85 0.02 . 1 . . . . 69 VAL HG1 . 15100 1 817 . 1 1 99 99 VAL HG21 H 1 0.8 0.02 . 1 . . . . 69 VAL HG2 . 15100 1 818 . 1 1 99 99 VAL HG22 H 1 0.8 0.02 . 1 . . . . 69 VAL HG2 . 15100 1 819 . 1 1 99 99 VAL HG23 H 1 0.8 0.02 . 1 . . . . 69 VAL HG2 . 15100 1 820 . 1 1 99 99 VAL C C 13 175.1 0.2 . 1 . . . . 69 VAL C . 15100 1 821 . 1 1 99 99 VAL CA C 13 58.9 0.2 . 1 . . . . 69 VAL CA . 15100 1 822 . 1 1 99 99 VAL CB C 13 35.7 0.2 . 1 . . . . 69 VAL CB . 15100 1 823 . 1 1 99 99 VAL CG1 C 13 21.7 0.02 . 1 . . . . 69 VAL CG1 . 15100 1 824 . 1 1 99 99 VAL CG2 C 13 19 0.02 . 1 . . . . 69 VAL CG2 . 15100 1 825 . 1 1 99 99 VAL N N 15 115.6 0.2 . 1 . . . . 69 VAL N . 15100 1 826 . 1 1 100 100 LEU H H 1 8.51 0.02 . 1 . . . . 70 LEU H . 15100 1 827 . 1 1 100 100 LEU HA H 1 4.46 0.02 . 1 . . . . 70 LEU HA . 15100 1 828 . 1 1 100 100 LEU HB2 H 1 1.66 0.02 . 1 . . . . 70 LEU HB2 . 15100 1 829 . 1 1 100 100 LEU HB3 H 1 1.66 0.02 . 1 . . . . 70 LEU HB3 . 15100 1 830 . 1 1 100 100 LEU HG H 1 1.74 0.02 . 1 . . . . 70 LEU HG . 15100 1 831 . 1 1 100 100 LEU HD11 H 1 0.96 0.02 . 1 . . . . 70 LEU HD1 . 15100 1 832 . 1 1 100 100 LEU HD12 H 1 0.96 0.02 . 1 . . . . 70 LEU HD1 . 15100 1 833 . 1 1 100 100 LEU HD13 H 1 0.96 0.02 . 1 . . . . 70 LEU HD1 . 15100 1 834 . 1 1 100 100 LEU HD21 H 1 0.83 0.02 . 1 . . . . 70 LEU HD2 . 15100 1 835 . 1 1 100 100 LEU HD22 H 1 0.83 0.02 . 1 . . . . 70 LEU HD2 . 15100 1 836 . 1 1 100 100 LEU HD23 H 1 0.83 0.02 . 1 . . . . 70 LEU HD2 . 15100 1 837 . 1 1 100 100 LEU C C 13 176.5 0.2 . 1 . . . . 70 LEU C . 15100 1 838 . 1 1 100 100 LEU CA C 13 55.8 0.2 . 1 . . . . 70 LEU CA . 15100 1 839 . 1 1 100 100 LEU CB C 13 41.8 0.2 . 1 . . . . 70 LEU CB . 15100 1 840 . 1 1 100 100 LEU CG C 13 27.2 0.2 . 1 . . . . 70 LEU CG . 15100 1 841 . 1 1 100 100 LEU CD1 C 13 25.7 0.02 . 1 . . . . 70 LEU CD1 . 15100 1 842 . 1 1 100 100 LEU CD2 C 13 23.5 0.02 . 1 . . . . 70 LEU CD2 . 15100 1 843 . 1 1 100 100 LEU N N 15 122.1 0.2 . 1 . . . . 70 LEU N . 15100 1 844 . 1 1 101 101 ALA H H 1 7.99 0.02 . 1 . . . . 71 ALA H . 15100 1 845 . 1 1 101 101 ALA HA H 1 4.07 0.02 . 1 . . . . 71 ALA HA . 15100 1 846 . 1 1 101 101 ALA HB1 H 1 1.3 0.02 . 1 . . . . 71 ALA HB . 15100 1 847 . 1 1 101 101 ALA HB2 H 1 1.3 0.02 . 1 . . . . 71 ALA HB . 15100 1 848 . 1 1 101 101 ALA HB3 H 1 1.3 0.02 . 1 . . . . 71 ALA HB . 15100 1 849 . 1 1 101 101 ALA CA C 13 53.8 0.2 . 1 . . . . 71 ALA CA . 15100 1 850 . 1 1 101 101 ALA CB C 13 20.5 0.2 . 1 . . . . 71 ALA CB . 15100 1 851 . 1 1 101 101 ALA N N 15 129.7 0.2 . 1 . . . . 71 ALA N . 15100 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 15100 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; YfgJ_n15_noesy.list w1 w2 w3 Data Height 125.088 1.051 9.177 1583689 119.981 1.604 8.544 1785142 124.101 4.765 7.831 17168572 124.278 2.928 7.841 505915 126.591 4.786 8.230 17716636 124.081 4.771 8.483 12963020 126.638 2.464 8.571 1603256 116.718 7.977 7.648 3121958 121.642 2.749 8.775 1358839 122.520 9.199 8.718 430472 122.512 9.092 8.712 453929 122.803 5.070 8.462 790055 122.742 7.761 8.449 798459 125.485 3.859 9.314 925616 115.632 6.931 8.804 439544 115.610 8.463 8.787 437205 116.575 4.769 7.991 1766573 114.800 4.770 8.040 10833072 126.479 1.588 9.042 375364 126.644 4.770 9.043 8841094 121.695 4.771 8.454 19814514 121.754 8.795 8.456 761201 124.737 4.916 8.919 2629378 127.733 5.097 8.937 3008984 105.775 4.771 7.294 13303270 122.523 4.773 8.876 4272255 122.413 8.476 8.876 599824 122.523 9.195 8.886 578061 130.739 1.766 9.159 320771 131.048 4.769 9.132 2477152 118.666 3.018 8.978 3622368 119.880 7.291 8.105 640585 119.787 0.959 8.080 344732 126.819 9.190 8.322 684424 120.809 4.767 8.211 4076082 120.962 8.784 9.284 455419 109.919 2.131 7.321 786938 110.053 4.771 7.321 3659258 110.062 4.770 6.593 3528144 110.097 7.660 7.340 380907 110.087 7.651 6.614 452401 112.373 4.769 7.232 3845056 112.373 4.767 6.478 2941897 112.851 4.772 7.163 2459523 112.885 4.769 6.688 2780616 113.643 4.771 7.706 5981124 113.646 4.769 6.900 4768729 112.338 4.772 7.739 2712079 112.099 2.574 6.861 496522 112.078 4.772 7.454 7904056 125.490 4.832 8.549 1049717 108.038 4.171 7.609 407649 128.438 3.003 8.747 917103 126.832 1.660 8.326 2168312 119.968 5.074 8.541 4904884 122.759 2.946 8.464 485782 123.766 1.874 8.409 1739580 123.781 2.075 8.412 1722103 122.677 2.077 9.184 2432000 115.966 4.316 7.757 629960 124.424 5.133 8.610 773007 126.073 5.124 8.732 6358670 127.070 2.163 8.635 1766380 124.687 2.887 8.334 1022866 116.236 8.770 8.212 4709896 116.235 4.155 8.211 7936350 106.945 2.913 8.370 397226 126.856 1.052 8.325 5462711 118.689 0.225 8.960 543212 119.866 0.803 6.809 1177678 122.241 2.255 8.374 423426 119.560 2.653 8.422 1960397 119.560 4.814 8.418 3734110 125.564 3.209 9.318 2763296 119.811 2.286 8.764 2294013 123.237 4.172 8.678 369595 126.636 1.138 8.344 1654329 126.636 1.234 8.344 1376919 126.636 0.665 8.341 943171 122.546 4.838 8.726 9316816 118.957 3.273 7.935 298479 130.231 4.561 9.318 4257954 122.253 4.431 8.373 2136388 122.214 2.110 8.361 484865 122.241 4.273 8.359 610588 122.271 1.886 8.370 1773353 123.500 4.266 8.528 8670571 123.649 2.219 8.526 602196 123.488 1.890 8.528 2411841 123.489 8.541 8.528 39590880 123.529 4.588 8.528 1231162 123.478 1.283 8.527 1319082 123.491 1.556 8.528 4547098 123.554 0.826 8.523 1226209 119.578 4.587 8.420 9689277 119.571 1.296 8.423 1960437 119.608 1.573 8.422 1400638 119.593 0.837 8.420 1883310 119.581 8.431 8.420 45999092 119.583 2.773 8.421 3684145 125.568 4.838 9.317 3387223 125.580 2.649 9.321 906067 125.569 9.334 9.321 17498778 125.590 4.316 9.323 1282486 125.556 3.110 9.319 2544999 125.623 8.753 9.326 538812 125.507 4.167 9.319 638384 125.517 2.368 9.316 432960 125.668 8.364 9.324 707257 125.654 0.716 9.323 863549 125.511 1.550 9.313 1053224 119.764 4.332 9.279 661158 119.867 3.243 9.281 640128 119.944 3.925 9.261 394886 119.779 4.126 9.277 1930648 119.802 9.287 9.276 53076764 119.808 8.778 9.275 5921678 119.838 8.221 9.273 1056326 119.805 4.485 9.276 3010424 119.811 2.170 9.275 5691259 119.844 2.330 9.275 4084025 112.344 7.752 7.739 79987744 112.352 7.751 6.843 22674852 112.348 6.855 7.738 33792252 112.353 2.311 7.742 1158428 119.830 4.154 8.765 635110 119.823 9.285 8.765 4895498 119.809 4.470 8.759 960294 119.816 2.201 8.765 2543990 119.836 8.775 8.766 25838724 119.814 5.025 8.771 1430730 119.850 2.545 8.768 1070897 119.827 8.224 8.767 3507242 119.821 3.207 8.764 2055038 116.223 3.201 8.212 3304850 116.228 9.299 8.211 1528404 116.236 8.770 8.212 4709896 116.198 5.011 8.204 479385 116.401 2.541 8.227 432279 116.231 8.223 8.212 33204932 116.235 4.155 8.211 7936350 116.252 2.273 8.212 2480420 112.546 4.436 7.237 378810 112.347 4.435 6.470 462836 112.410 7.243 7.233 46389868 112.412 7.245 6.476 22528352 112.407 6.487 7.231 25411954 112.416 6.486 6.477 56358368 112.360 2.246 7.236 1523581 112.319 2.251 6.473 581840 123.198 9.295 8.667 437909 123.336 3.182 8.676 921094 123.206 8.225 8.677 516360 123.260 8.681 8.674 7607027 123.150 4.497 8.680 530627 123.232 3.348 8.674 1244770 123.434 4.529 8.175 3189065 123.590 3.389 8.175 631006 123.476 8.184 8.175 13520713 123.489 3.836 8.171 1014759 123.464 1.829 8.175 2650376 123.471 0.850 8.177 2288022 126.619 4.847 8.342 1147627 126.844 4.160 8.326 1728683 126.560 3.851 8.344 7175752 126.560 0.843 8.342 2522415 126.816 8.336 8.327 54994448 126.637 4.472 8.341 1425024 126.574 1.510 8.342 4753808 126.846 4.678 8.324 11124516 121.823 1.596 8.660 660015 121.731 0.839 8.659 368821 121.816 4.471 8.663 6624521 121.836 1.176 8.660 1914853 121.802 1.495 8.665 896124 121.844 0.758 8.662 1344337 121.825 8.679 8.664 33070640 121.823 2.683 8.664 4200246 121.807 4.788 8.665 2844289 122.573 2.688 8.726 1171648 122.568 4.782 8.725 11150649 122.555 1.797 8.723 1872935 122.647 2.187 8.726 763018 122.672 4.630 8.731 932458 111.218 0.783 7.520 372690 111.174 0.738 6.658 476676 111.264 4.773 7.540 1395965 111.260 4.758 6.661 979562 111.327 1.845 6.648 301872 111.222 7.555 7.540 25152506 111.272 7.552 6.662 12481044 111.259 6.674 7.537 13491437 111.239 6.673 6.662 21857304 111.218 2.183 7.540 1631148 111.342 2.179 6.661 404465 111.197 1.558 7.540 500772 111.379 1.603 6.665 474008 122.705 4.765 8.463 3949632 122.728 1.857 8.468 927409 122.729 8.474 8.462 31815366 122.754 4.611 8.462 6783815 122.751 2.565 8.463 2489118 113.630 2.713 7.709 603534 113.660 2.982 7.714 402799 113.630 7.715 7.703 10721695 113.656 7.715 6.899 6851527 113.653 6.908 7.704 8588361 113.631 6.908 6.900 16304638 119.064 4.774 7.944 487407 118.984 7.943 7.934 10709996 118.953 3.143 7.930 522133 118.936 1.228 7.948 459957 119.085 2.949 7.935 767073 124.706 4.773 8.918 5346838 124.691 5.072 8.916 1121480 124.762 2.976 8.913 1352521 124.727 8.928 8.917 11778012 124.689 1.282 8.920 1666341 119.959 1.287 8.539 1673780 119.927 8.557 8.542 19981532 127.760 0.746 8.931 379018 127.741 1.271 8.936 644250 127.963 8.525 8.954 412551 127.690 8.947 8.937 11854108 127.711 4.697 8.936 505415 127.697 2.709 8.934 1084545 127.663 3.146 8.937 1218689 127.722 1.619 8.929 564889 130.221 9.333 9.318 14868782 130.205 4.116 9.321 1232853 130.224 1.855 9.316 2527376 130.209 1.679 9.314 1763129 130.298 8.719 9.321 1156936 116.884 8.734 8.726 8638966 116.830 4.346 8.718 531501 116.846 3.114 8.724 776785 116.951 3.832 8.725 624312 116.916 9.273 8.729 1050150 121.037 9.287 9.266 1853611 121.043 3.139 9.295 351499 111.592 9.258 7.648 741907 111.567 7.656 7.642 7295467 111.483 3.780 7.634 983747 111.531 4.214 7.644 396325 111.385 3.145 7.633 450220 124.497 4.293 8.614 4108790 124.342 1.974 8.615 629723 124.558 2.313 8.619 927839 124.443 8.624 8.614 19346136 124.476 3.009 8.614 2089498 124.512 7.183 8.608 474554 126.084 1.268 8.727 1401016 126.103 8.944 8.722 915985 126.110 3.006 8.731 1068012 126.032 8.736 8.728 28277480 125.991 4.308 8.729 1471818 126.044 1.661 8.731 2264363 125.990 1.403 8.738 915461 126.098 0.857 8.736 938603 127.069 0.862 8.633 2951922 127.067 8.645 8.634 45579232 127.058 1.963 8.635 5480740 127.068 4.313 8.634 12720728 123.785 4.281 8.409 4997306 123.726 2.244 8.404 1528611 122.631 4.855 9.184 4209181 122.675 1.666 9.183 3821748 122.600 8.788 9.183 1356769 122.617 4.689 9.182 1745314 122.637 0.800 9.181 1145563 122.542 4.428 9.180 761299 122.602 8.378 9.185 545368 122.524 1.299 9.185 528923 127.221 4.611 8.353 4209424 127.452 1.479 8.353 383626 127.183 1.678 8.354 785044 127.183 4.175 8.354 615056 127.183 1.110 8.350 1666197 126.856 1.052 8.325 5462711 124.986 8.338 9.179 618432 125.067 4.200 9.181 8935542 125.069 9.193 9.180 40100432 125.046 4.587 9.181 1483739 125.112 0.813 9.180 1985303 125.103 0.556 9.179 1422396 125.098 1.511 9.178 2807124 125.220 8.030 9.175 353062 125.140 -0.580 9.173 1144293 125.046 7.300 9.183 983481 125.031 5.385 9.182 1271176 125.144 6.987 9.189 377084 125.070 1.847 9.182 2831122 123.586 9.195 8.046 314468 123.404 4.595 8.055 9714350 123.435 0.841 8.055 4763679 123.394 0.567 8.054 2466081 123.417 8.065 8.053 43440636 123.393 4.338 8.047 1549597 123.410 2.828 8.054 4672280 123.405 3.259 8.053 5077688 123.397 7.667 8.056 1444516 123.327 2.083 8.060 412729 123.410 1.658 8.054 2975734 123.433 1.829 8.055 1845581 121.639 3.380 8.799 1299450 121.656 4.287 8.794 3017132 121.656 1.787 8.792 3857270 121.655 8.804 8.791 53662808 121.686 4.501 8.788 3152724 121.655 1.072 8.793 5748994 121.663 1.590 8.793 2656375 121.665 7.766 8.793 6539790 121.666 7.956 8.794 1515512 121.743 0.650 8.791 610233 116.035 2.861 7.754 1269650 116.000 8.803 7.753 5927918 116.007 4.499 7.756 2174436 115.992 1.075 7.753 2472185 116.042 1.600 7.756 1250180 116.005 7.765 7.754 48308572 116.016 4.902 7.755 2043022 116.020 2.938 7.756 1388820 116.005 3.266 7.754 3725197 116.023 7.953 7.754 8249188 118.065 0.809 7.936 972918 118.199 2.845 7.945 1392254 118.165 8.810 7.934 1022972 118.093 7.762 7.935 7501056 118.112 4.896 7.936 1036003 118.074 3.283 7.935 4547160 118.101 7.946 7.936 35011288 118.080 4.475 7.933 10937652 118.191 1.817 7.945 475779 116.693 0.859 7.648 959540 116.726 8.070 7.650 2062254 116.723 2.825 7.646 1878142 116.725 3.270 7.647 4676888 116.700 4.478 7.649 2779354 116.709 7.661 7.649 59958472 116.690 4.814 7.649 2925666 116.712 2.099 7.649 6463936 116.735 1.826 7.648 1914592 116.726 2.241 7.651 4508121 116.790 3.819 7.650 696032 116.684 7.215 7.651 761206 112.756 3.298 6.680 511416 112.758 3.320 7.172 514417 112.870 6.696 6.687 41557072 112.877 6.697 7.160 26488084 112.880 7.168 6.686 23710422 112.867 7.170 7.161 42356924 112.970 1.824 6.683 536177 112.924 1.815 7.163 655035 112.968 2.232 6.688 747766 112.824 2.243 7.161 1685066 124.617 4.655 8.244 10008292 124.702 2.044 8.245 600583 124.677 2.328 8.241 910984 124.637 8.257 8.243 30555684 124.622 1.487 8.243 4786736 124.631 0.901 8.243 1090765 124.607 1.633 8.240 4241027 124.720 1.016 8.246 740066 124.615 0.562 8.244 2917294 122.044 8.268 9.233 495371 121.967 1.527 9.239 3538715 122.021 0.559 9.246 523989 122.024 0.874 9.245 1657967 121.946 9.245 9.235 49341824 121.988 2.198 9.237 3968868 121.965 2.368 9.239 3703358 122.063 8.595 9.226 379607 122.003 2.951 9.236 926422 121.981 4.797 9.235 949901 121.952 4.527 9.235 11702938 110.038 7.331 7.320 44383984 110.059 7.333 6.591 24982746 110.057 6.600 7.320 29055022 110.058 6.602 6.592 48297948 110.035 2.291 7.321 1319459 110.154 2.301 6.589 621483 110.047 2.492 7.322 1470151 110.148 2.511 6.598 587461 110.097 0.642 7.327 517228 126.768 0.852 8.572 963708 126.625 9.240 8.572 724777 126.628 4.528 8.571 15856454 126.657 2.339 8.576 2428462 126.675 8.584 8.574 75987728 126.823 4.287 8.569 5635718 126.688 2.007 8.575 6786100 126.629 1.037 8.573 4984174 126.677 9.019 8.573 621918 126.620 0.673 8.581 2302572 130.453 4.300 9.015 13311802 130.480 1.049 9.017 947696 130.457 9.026 9.015 56585172 130.463 4.537 9.012 2477206 130.447 1.582 9.013 4604878 130.450 2.345 9.012 579090 130.449 2.498 9.024 574393 130.447 5.137 9.009 1397645 130.468 8.569 9.015 2617862 130.461 0.673 9.014 4446073 130.461 1.372 9.014 4850771 124.088 0.656 8.486 1293608 124.081 4.538 8.481 8789530 124.089 8.488 8.478 39916496 124.163 1.704 8.472 4542066 124.066 1.355 8.483 3095854 126.571 1.787 8.230 1034129 126.590 8.241 8.229 36436736 126.590 4.575 8.230 2847524 126.604 1.360 8.229 3843744 126.601 7.834 8.232 1042727 126.622 8.580 8.232 1181788 124.104 8.252 7.831 1442198 124.120 3.731 7.830 1484290 124.081 4.117 7.830 1733736 124.104 4.645 7.829 4839622 124.105 1.402 7.831 6570405 119.766 1.406 8.088 4926090 119.780 8.100 8.089 88407016 119.796 1.816 8.087 4843748 119.788 0.600 8.089 1597210 119.776 0.753 8.087 3347546 119.655 8.538 8.081 813127 119.775 4.654 8.089 15104354 125.520 9.020 8.550 2339423 125.575 1.363 8.551 1417909 125.542 1.598 8.552 1714672 125.673 8.113 8.563 1054679 125.533 4.619 8.549 14072062 125.499 1.797 8.547 1416973 125.615 0.725 8.556 2091830 125.518 8.561 8.552 65925288 125.517 5.058 8.552 2561830 125.520 2.381 8.551 4010392 125.598 0.610 8.561 2267028 118.805 8.556 8.980 460747 118.691 5.063 8.978 8924734 118.730 2.375 8.979 1546320 118.689 2.521 8.980 3643900 118.689 8.984 8.977 54317408 118.687 2.740 8.979 1856043 118.700 6.953 8.980 2249637 118.719 1.727 8.986 756150 118.681 0.977 8.973 1420734 123.313 1.525 9.215 1841290 123.178 0.926 9.213 1004416 123.268 2.376 9.215 947450 123.193 4.302 9.207 1002632 123.225 0.615 9.218 1342589 123.263 5.132 9.210 11257206 123.254 9.228 9.214 47411480 123.259 2.695 9.211 3833049 123.250 2.964 9.210 4548234 123.233 6.960 9.214 933681 123.145 4.533 9.215 629609 131.076 0.891 9.134 1650469 131.038 5.071 9.134 8720110 130.961 6.991 9.128 725335 131.039 9.147 9.134 36441148 131.066 2.794 9.134 5332272 130.993 7.632 9.133 1081804 130.944 8.424 9.130 518810 131.254 4.696 9.143 1697973 131.104 0.636 9.133 811519 131.099 1.830 9.131 1474761 131.254 2.993 9.133 1404606 129.150 4.543 9.495 569980 128.980 0.889 9.495 950444 129.029 7.306 9.485 600839 129.265 9.144 9.507 367522 129.028 4.790 9.497 10739156 129.082 2.787 9.495 817918 129.024 9.508 9.498 24209600 129.039 4.190 9.497 1976558 128.998 1.889 9.499 2354712 129.034 2.275 9.501 1108948 129.004 8.896 9.498 1832708 129.028 2.024 9.498 3166181 112.082 7.466 7.454 45510424 112.094 7.466 6.858 18923146 112.089 6.870 7.453 20020752 112.230 6.863 6.849 80190584 112.049 2.280 7.454 1704676 112.138 2.300 6.858 965409 112.028 2.003 7.458 753838 112.153 2.034 6.861 644202 122.480 2.804 8.873 611646 122.523 9.512 8.879 3608992 122.540 4.191 8.880 2043115 122.556 2.326 8.869 506946 122.524 8.890 8.879 63718560 122.531 4.598 8.878 2781094 122.520 3.077 8.880 4468425 122.522 3.307 8.877 2276826 122.540 7.289 8.879 3808586 122.523 7.502 8.876 1234208 122.518 2.004 8.877 1170752 105.776 8.891 7.294 1419910 105.817 4.571 7.300 986838 105.777 7.304 7.293 8114286 105.795 3.484 7.294 1934751 105.758 4.179 7.296 1564373 105.760 7.499 7.295 1367131 116.372 2.801 7.491 3858466 116.381 8.920 7.481 955914 116.366 7.313 7.493 3523194 116.377 4.178 7.491 1495508 116.367 7.506 7.492 61107328 116.374 4.689 7.491 2844036 116.360 3.075 7.491 4490866 116.399 3.444 7.492 3315642 108.016 9.144 7.614 1371329 108.041 2.805 7.613 6396809 108.047 4.683 7.616 1243723 108.080 3.435 7.619 981851 108.042 7.621 7.613 64820352 108.043 3.006 7.613 10305617 108.043 3.765 7.613 5226893 108.067 8.436 7.608 693444 108.035 7.296 7.611 1457223 124.340 5.075 8.424 777269 124.490 6.963 8.446 615614 124.363 7.272 8.425 810721 124.334 7.623 8.436 812099 124.355 3.002 8.433 4228962 124.346 3.761 8.432 9668348 124.337 8.439 8.433 68415152 124.320 4.712 8.433 3267922 124.438 8.774 8.443 770140 124.382 0.979 8.432 1598621 128.368 0.590 8.745 1138641 128.406 2.784 8.747 666263 128.434 5.076 8.758 1691601 128.336 9.158 8.760 485998 128.403 4.704 8.750 9243803 128.375 0.975 8.750 1417033 128.400 8.757 8.751 31719710 128.419 4.283 8.749 1658946 128.398 1.255 8.756 1012778 128.331 8.475 8.750 627004 128.402 1.829 8.749 6041698 121.649 4.281 8.459 11383032 121.651 1.858 8.451 1493292 121.666 0.779 8.456 3223325 121.679 8.471 8.458 49139672 121.667 4.456 8.457 3225428 121.655 3.834 8.461 4316399 121.653 4.110 8.459 4286600 121.667 8.015 8.460 660169 121.677 3.196 8.466 921218 126.663 4.442 9.044 2403494 126.735 4.113 9.058 492083 126.646 9.051 9.044 3336024 126.648 3.911 9.043 1013321 126.626 2.172 9.042 1614384 126.604 1.692 9.040 833801 126.566 8.029 9.038 347057 114.771 8.042 8.037 5447166 114.773 4.223 8.040 1308344 114.788 1.861 8.038 1891303 114.795 1.473 8.041 1090732 116.569 0.781 7.994 835086 116.508 3.854 7.996 1414117 116.516 4.317 7.994 3076156 116.376 3.230 7.994 537374 116.511 6.821 7.992 6728811 116.572 0.224 7.988 933803 116.536 8.013 7.996 57815960 116.578 1.913 7.997 2900934 116.529 1.664 7.996 5654960 119.866 0.803 6.809 1177678 119.947 3.915 6.816 1038213 120.017 4.210 6.813 873434 119.973 8.011 6.817 6096856 119.993 4.315 6.818 1431087 119.897 1.662 6.807 1372049 120.018 1.916 6.816 1171013 119.985 6.831 6.819 46741132 119.979 2.852 6.816 2076554 119.969 1.350 6.819 5670219 119.883 -0.536 6.811 1000920 119.967 0.223 6.816 4956911 126.334 4.235 7.293 750560 126.203 9.185 7.297 863830 126.230 3.393 7.301 1195253 126.331 0.770 7.309 579139 126.329 6.860 7.304 622983 126.181 2.849 7.294 9760300 126.197 1.366 7.313 741016 126.177 -0.543 7.294 3793350 126.172 0.242 7.287 990585 126.178 7.307 7.294 46695756 126.177 4.371 7.294 2871080 126.182 1.612 7.296 3248920 126.124 2.076 7.292 1102556 126.246 8.361 7.296 389218 126.169 1.832 7.294 3777884 124.555 7.286 8.351 574073 124.524 4.371 8.354 10325334 124.554 1.627 8.355 1076526 124.467 1.844 8.352 853433 124.695 2.024 8.339 588007 124.533 8.367 8.355 53118532 124.551 5.406 8.357 1359126 124.505 2.702 8.354 3795350 124.460 2.864 8.354 1969452 124.536 6.950 8.356 1760822 124.429 0.845 8.364 490484 115.585 9.194 8.799 1880628 115.705 1.668 8.799 911510 115.593 4.204 8.800 830427 115.584 2.066 8.795 758471 115.595 8.384 8.791 515671 115.592 5.386 8.796 7398118 115.602 2.876 8.797 1013143 115.584 8.808 8.797 32272860 115.604 4.686 8.799 1934142 115.600 0.803 8.796 4273947 115.593 2.247 8.799 709664 122.105 4.698 8.512 7011803 122.132 2.240 8.510 5761119 122.150 8.523 8.510 49856976 122.126 4.456 8.508 2306072 122.131 8.005 8.509 616590 122.122 0.820 8.512 3515978 122.122 1.700 8.510 8195886 129.681 0.820 7.993 1642755 129.620 1.955 7.996 468595 129.659 4.847 7.997 1575970 129.700 2.136 7.997 590271 129.720 2.266 7.999 733417 129.556 9.188 7.999 501395 129.570 8.496 7.987 865153 129.653 4.456 7.995 7398849 129.713 1.673 7.999 2708613 129.665 8.009 7.995 59618204 129.634 4.058 7.996 1750724 129.655 1.277 7.994 3569874 c13_noesy_aliph.list w1 w2 w3 Data Height 45.798 0.694 1.289 836834 38.925 3.340 3.839 306889 45.208 7.479 3.472 117980 33.124 8.840 5.219 542427 32.797 9.181 2.086 105122 50.019 8.276 2.437 88754 52.636 8.740 4.588 94272 49.584 8.111 0.872 144239 42.491 0.866 1.602 905208 42.513 4.374 1.601 392286 42.435 7.294 1.718 85393 36.449 0.222 3.894 687596 36.527 1.355 3.902 124303 36.482 2.205 3.884 436052 36.432 2.052 3.890 282274 36.494 6.959 3.892 81650 36.467 6.783 3.893 138216 33.919 8.542 1.808 138979 48.628 8.996 1.327 109418 48.641 4.277 1.446 131625 54.284 1.637 5.147 182448 43.264 1.318 2.967 412744 43.330 1.622 2.962 229250 43.299 1.634 3.063 366294 43.301 1.292 3.058 399337 32.135 2.283 1.890 5082220 32.186 1.894 2.271 5197202 40.054 1.608 4.676 164775 52.174 3.860 1.885 464068 50.913 0.563 3.784 117537 34.515 2.392 2.119 613620 38.813 3.725 3.826 6846064 53.758 6.916 4.096 118618 45.186 0.566 -0.531 599117 41.762 4.379 1.660 225074 47.586 4.369 0.839 458012 34.617 6.912 4.465 119466 51.249 0.833 1.250 538768 51.193 0.838 1.851 437037 46.360 8.868 1.242 147360 33.148 8.545 5.219 95264 35.055 9.469 4.658 200309 50.513 8.884 5.189 156158 45.892 0.839 1.286 1047787 46.269 7.938 0.859 107405 35.659 0.861 4.329 964529 32.749 2.048 4.390 576351 33.227 1.857 5.147 100246 48.715 1.705 0.980 1885215 45.167 8.530 0.879 114498 46.393 2.204 0.859 119545 53.505 1.019 1.674 268751 48.683 6.970 0.980 502714 47.463 8.581 0.862 142604 43.745 4.471 1.179 133940 43.515 4.504 1.486 112919 43.685 1.490 1.183 1343598 35.642 1.663 4.329 297573 45.136 1.490 1.113 237769 52.703 4.581 4.585 731169 50.865 2.342 3.396 137683 54.206 8.912 3.329 177397 38.011 2.784 1.843 133393 54.748 4.277 1.901 817955 54.804 8.549 1.897 292006 35.094 2.305 4.165 1080165 34.057 8.183 4.539 590050 54.381 8.363 4.480 164289 42.492 1.680 2.690 220064 45.652 3.273 2.981 688086 45.884 5.075 1.290 334969 45.866 8.727 1.290 166818 46.279 0.849 1.240 1475707 45.877 7.637 3.779 743295 53.498 2.940 1.677 2138285 32.684 8.080 4.377 253008 49.470 8.532 1.298 115675 52.946 0.591 5.063 189628 51.677 3.219 1.685 835725 52.428 3.078 0.572 253710 31.429 2.070 4.439 917859 31.426 2.444 4.441 332531 32.414 4.441 2.069 312943 32.208 8.528 4.290 1963095 32.208 8.391 4.290 556752 32.303 2.179 4.289 783308 32.271 1.911 4.287 1615559 32.315 0.865 4.278 333206 54.888 8.394 1.898 195857 54.748 4.277 1.901 817955 54.752 2.137 1.906 1362122 54.760 1.896 1.901 25171220 54.804 8.549 1.897 292006 54.791 0.862 1.898 658528 36.594 8.406 2.169 129441 36.625 4.284 2.157 392718 36.627 4.283 2.260 456628 36.623 2.164 2.158 20323584 36.647 2.242 2.258 28285770 36.656 1.924 2.258 1973950 36.703 8.546 2.256 143557 36.658 0.867 2.146 410440 36.644 0.867 2.261 428009 53.769 1.305 4.593 755426 53.739 1.581 4.583 615808 53.741 0.861 4.597 1127226 53.748 8.451 4.595 1016414 44.812 8.493 1.302 169507 44.792 8.529 1.566 228601 44.770 4.584 1.294 138106 44.819 1.330 1.541 4617688 44.767 1.566 1.303 2695211 44.730 1.558 1.558 4031762 44.765 0.782 1.302 920909 44.776 0.759 1.558 745663 49.742 1.294 0.758 428996 49.936 1.565 0.764 1044503 47.407 4.589 0.862 504976 47.377 1.307 0.864 454630 47.463 8.433 0.862 149414 47.412 1.590 0.859 1629096 32.323 8.434 2.661 166887 32.317 8.435 2.801 247082 32.309 2.640 2.649 4505173 32.317 2.658 2.790 2704744 32.283 2.781 2.656 2350530 32.199 2.786 2.791 3784469 32.318 4.163 2.657 247192 32.282 4.167 2.790 236043 33.319 9.338 4.321 236274 33.316 3.127 4.313 419734 33.305 3.940 4.315 852118 33.255 4.145 4.305 942540 33.324 2.129 4.320 206874 33.311 1.554 4.310 158056 33.269 4.284 4.291 12602417 33.284 0.657 4.296 1445266 31.892 9.352 3.123 292800 31.882 9.355 3.215 289606 31.905 4.274 3.108 154711 31.889 4.286 3.212 131360 31.923 4.158 3.122 132757 31.967 4.164 3.217 133576 31.919 8.741 3.223 240617 31.865 8.244 3.114 192923 31.916 8.243 3.220 247799 31.899 0.744 3.113 358455 31.831 0.760 3.216 289941 40.308 2.090 4.465 1389491 40.324 2.398 4.465 2102500 40.338 9.306 4.468 200742 40.353 7.234 4.445 105826 32.285 4.456 2.071 336084 32.322 4.459 2.404 733984 32.331 2.079 2.402 5504809 32.381 3.935 2.399 214132 32.324 4.118 2.072 181604 32.738 0.922 2.053 2021835 32.296 2.380 2.072 5611256 32.281 3.912 2.071 613413 51.491 4.308 3.949 934588 51.522 4.304 4.134 783802 51.548 2.406 3.952 240788 51.501 3.948 3.948 4145888 51.496 3.946 4.135 2453756 51.496 4.131 3.948 2594118 51.500 4.133 4.135 3410167 51.467 2.128 3.948 1087604 51.483 2.129 4.135 1108496 51.519 9.299 4.141 208029 51.529 2.349 4.129 142018 51.523 0.678 3.948 289327 51.474 0.682 4.131 219044 51.504 0.841 3.946 502277 51.518 0.833 4.132 533163 51.334 4.320 2.134 228697 51.378 4.460 2.141 240540 51.330 2.390 2.136 1550585 51.356 3.937 2.136 753380 51.365 4.127 2.137 740640 51.334 2.131 2.137 27183560 51.401 9.293 2.140 165693 51.349 0.845 2.136 597929 33.490 9.289 4.503 496877 33.438 8.789 4.510 160238 33.510 2.285 4.503 1295388 53.837 9.291 2.280 427875 53.842 4.509 2.292 263336 53.810 2.246 2.278 5616408 53.906 8.792 2.190 269457 53.944 8.790 2.289 210110 53.756 9.264 2.199 769988 53.790 2.201 2.192 11288380 33.714 9.287 2.327 217169 33.712 9.293 2.384 222459 33.756 4.509 2.384 94849 33.928 9.259 2.314 221716 33.896 4.527 2.309 184601 35.156 2.280 5.042 250322 35.183 8.791 5.039 318057 35.198 5.037 5.040 4068255 35.187 2.556 5.039 841732 35.198 3.256 5.038 961679 35.165 8.235 5.039 143656 32.775 8.792 2.555 211271 32.726 8.797 3.263 185943 32.768 5.037 2.564 373829 32.761 5.034 3.258 375928 32.753 2.555 3.259 2819868 32.763 3.255 2.560 2993435 32.765 3.263 3.271 5458620 35.081 2.650 4.165 508178 35.039 3.207 4.166 168014 35.110 8.240 4.165 1284995 35.094 2.305 4.165 1080165 35.088 8.708 4.164 142421 50.121 8.245 2.343 121023 50.166 4.162 2.341 411055 50.146 4.166 2.480 355753 50.134 2.326 2.343 5328710 50.131 2.324 2.474 4707037 50.133 2.467 2.343 3625081 50.142 2.470 2.476 5332108 34.490 8.239 2.263 238228 34.506 4.166 2.265 745247 34.493 2.454 2.263 3095521 34.611 7.242 2.249 141034 34.091 8.701 4.539 228582 34.035 3.384 4.539 582008 34.057 8.183 4.539 590050 34.044 0.868 4.539 121743 31.289 8.693 3.402 468415 31.262 4.525 3.405 120911 31.260 3.816 3.394 185280 40.054 4.837 3.912 15119 40.077 1.849 3.866 379486 40.114 8.363 3.865 1198013 40.087 0.859 3.866 972902 32.071 8.180 1.847 423055 32.117 3.873 1.860 306071 32.117 8.372 1.850 102349 32.077 0.868 1.849 2031512 45.165 8.191 0.883 129777 45.124 8.351 0.875 303189 45.138 3.860 0.873 351172 45.065 1.850 0.875 1097525 46.325 6.905 0.854 224380 46.255 8.180 0.854 438477 46.291 3.870 0.854 617989 46.273 1.855 0.854 1372808 46.246 8.366 0.857 238035 54.381 8.363 4.480 164289 54.307 1.168 4.486 506108 54.289 0.755 4.484 875948 54.304 8.697 4.483 865643 54.304 1.522 4.485 474259 43.797 8.763 1.507 85581 43.745 8.339 1.167 165025 43.800 8.351 1.508 304635 43.850 4.471 1.173 135220 43.682 4.492 1.496 121681 43.716 1.182 1.184 2502606 43.715 1.178 1.489 1398333 43.748 0.684 1.175 378896 43.773 0.669 1.500 588255 43.836 1.516 1.138 855893 43.672 8.685 1.165 91902 43.660 1.490 1.483 3331281 50.741 9.356 0.671 161713 50.673 4.312 0.667 332791 50.658 3.928 0.663 199085 50.735 8.360 0.658 301467 50.755 4.490 0.659 124433 50.677 0.661 0.665 30349400 50.692 1.268 0.666 1202584 50.647 4.145 0.667 131773 50.700 1.537 0.664 4124500 47.536 9.348 0.763 135649 47.576 4.323 0.766 374346 47.648 4.494 0.770 401619 47.618 1.195 0.768 450676 47.645 8.713 0.770 136656 47.617 3.145 0.774 631968 47.652 1.544 0.766 1043499 47.619 2.706 0.762 464548 50.750 0.667 1.554 3712184 50.754 8.370 1.555 254745 42.322 8.694 2.706 414872 54.385 1.282 2.026 282447 34.346 1.832 2.101 372038 34.370 7.563 2.106 95874 54.051 2.566 4.635 632873 42.792 8.486 2.571 167374 42.770 4.629 2.564 148073 54.384 2.702 4.323 230929 54.568 2.956 4.328 272643 38.605 4.319 2.943 144703 38.535 2.705 2.947 2751498 38.542 2.946 2.710 2390349 45.704 2.982 3.279 998241 45.652 3.273 2.981 688086 54.734 8.896 5.047 310303 32.447 5.062 2.962 146724 32.423 2.970 3.134 979626 32.439 8.906 3.130 93104 32.642 2.968 2.973 8586482 50.510 1.231 5.186 433042 50.475 8.548 5.208 23674 46.352 0.664 1.248 461529 45.839 2.050 1.284 144182 45.884 5.075 1.290 334969 45.865 8.933 1.292 122924 46.373 5.184 1.246 291589 45.867 1.283 1.290 29947636 45.868 8.552 1.287 210020 45.842 1.640 1.289 400399 46.309 1.590 1.240 346721 45.911 2.280 1.292 215371 46.357 8.697 1.254 183111 46.279 0.849 1.240 1475707 54.183 1.295 5.162 41210 54.213 5.165 5.171 894560 54.183 8.960 5.169 216086 54.177 8.721 5.169 32043 54.177 1.642 5.161 166582 34.286 5.175 1.697 104750 34.230 3.082 1.708 99455 34.464 2.952 1.682 193040 51.765 5.203 1.378 135700 51.732 3.049 1.359 224343 31.561 0.751 2.680 264456 31.673 0.738 3.157 262630 31.546 8.941 2.686 102495 31.598 8.950 3.160 246437 31.603 2.708 3.159 1473388 31.565 3.155 2.685 987958 31.936 8.714 3.136 205471 31.625 7.625 3.156 100829 31.577 1.969 2.685 53682 31.509 2.009 3.152 105550 34.008 9.330 4.129 130824 33.998 1.880 4.129 1139964 34.106 3.232 4.123 143043 34.002 1.696 4.128 647476 54.310 9.338 1.894 172072 54.328 4.124 1.858 517967 54.335 4.129 1.900 516977 54.266 3.226 1.861 285307 54.266 3.226 1.912 291657 43.491 1.860 3.218 1471542 43.493 1.683 3.216 3663659 51.719 4.120 1.697 285514 51.252 3.201 1.683 604725 51.174 4.381 1.710 174743 51.267 1.702 1.713 42705676 35.887 8.716 4.339 577729 36.081 3.122 4.360 546245 35.868 3.854 4.388 2071498 38.987 3.401 3.106 168943 38.914 8.738 3.098 95659 38.932 8.749 3.838 368869 38.885 4.340 3.100 174993 38.832 4.322 3.831 283701 38.932 3.139 3.117 1604015 38.920 3.132 3.840 1651646 38.915 3.838 3.100 604662 38.942 9.280 3.835 197586 35.959 2.937 4.148 531248 35.947 3.110 4.145 1044962 50.028 4.137 2.935 353177 50.049 4.137 3.114 624267 50.041 2.935 2.936 22308388 50.043 2.938 3.114 7789327 50.048 3.108 2.937 6935414 50.042 3.109 3.115 22519388 46.113 7.640 4.218 279746 46.101 3.797 4.223 2168355 46.095 4.219 3.795 2419878 45.877 7.637 3.779 743295 33.470 2.004 4.304 268111 33.687 2.294 4.313 239655 33.445 8.619 4.292 527197 54.387 4.284 1.956 225130 54.379 4.289 2.025 314262 54.380 8.642 1.947 326009 54.367 8.636 2.028 389404 33.185 3.016 5.211 156147 33.111 1.414 5.225 117948 40.808 8.614 3.001 265293 40.821 8.610 3.061 274494 41.096 5.196 3.012 187781 40.918 7.174 2.997 232217 40.854 7.190 3.061 206178 35.807 1.621 4.276 184669 35.640 1.222 4.332 327300 35.736 1.394 4.322 237787 35.792 0.829 4.292 584354 35.678 8.630 4.313 964029 41.602 0.830 1.637 783443 38.195 3.936 0.848 151602 38.063 4.133 0.852 348315 38.103 2.133 0.851 298902 38.040 2.299 0.855 211784 38.079 4.309 0.853 313993 38.045 1.643 0.852 340467 38.037 1.219 0.853 582947 38.042 1.382 0.850 583388 38.043 0.850 0.852 40018564 51.355 4.311 1.233 150853 51.798 4.282 1.380 175170 51.596 0.860 1.216 949884 51.626 0.851 1.395 980835 42.447 4.279 0.840 349349 42.579 1.226 0.873 512436 42.555 1.383 0.866 360016 42.474 8.644 0.853 157990 42.597 1.661 0.872 809534 42.589 0.868 0.871 41841084 32.208 8.620 4.291 503800 54.370 1.281 1.947 214004 36.615 8.636 2.195 162181 36.615 1.294 2.216 216902 35.384 1.841 1.802 803343 35.426 1.844 2.140 257558 35.425 2.080 1.797 328502 35.402 8.401 1.796 -1770 35.400 8.405 2.140 16930 35.464 2.280 1.800 129572 35.384 9.191 1.785 9076 35.252 9.203 2.149 21379 41.310 2.713 1.577 146110 41.378 2.892 1.583 240253 41.242 1.288 1.582 740111 41.286 0.805 1.589 1299900 32.765 1.266 2.287 149102 32.757 8.432 2.289 205296 32.729 0.833 2.295 183677 34.510 9.194 1.676 383612 34.478 1.433 1.678 859423 34.445 8.364 1.652 136485 34.535 0.804 1.674 687252 34.461 1.333 1.677 753966 53.501 0.767 1.676 651738 53.565 0.578 1.677 531004 53.486 4.067 1.680 162984 53.498 2.940 1.677 2138285 42.023 0.749 2.943 682892 41.985 0.574 2.949 437805 42.018 1.320 2.942 1101338 41.990 1.676 2.948 2926042 48.676 1.299 1.302 10826160 48.675 1.423 1.431 13051833 48.685 2.940 1.299 153625 48.694 2.961 1.434 160220 48.702 8.344 1.308 84073 48.525 8.343 1.446 127144 48.636 0.567 1.301 266247 48.595 0.565 1.436 160159 48.566 0.817 1.430 308896 48.632 9.204 1.445 111121 48.653 1.672 1.304 1538428 48.639 1.671 1.438 1996680 50.956 8.358 4.204 214665 50.953 4.203 4.204 5001752 50.961 1.075 4.202 1108645 50.969 9.196 4.203 1559026 50.960 -0.555 4.203 387864 50.950 5.403 4.203 465387 50.964 6.955 4.204 283417 50.979 0.565 4.202 135982 45.068 8.350 1.106 498104 45.068 4.202 1.109 430563 45.084 9.198 1.108 152360 45.171 0.569 1.126 492002 45.080 -0.586 1.107 510310 45.037 7.209 1.069 328778 52.866 9.194 4.606 208873 52.932 4.595 4.606 1352942 52.840 1.869 4.606 387214 52.836 0.825 4.607 751312 52.854 0.565 4.607 1183174 52.830 8.073 4.607 916407 52.904 8.257 4.606 301083 52.870 1.663 4.610 238326 52.794 1.510 4.608 203222 44.136 9.197 1.861 240468 44.127 9.196 0.844 134868 44.154 0.819 1.862 2103542 44.119 0.570 1.861 299688 44.121 0.572 0.836 536884 44.142 1.525 1.863 426326 44.077 8.074 1.862 161803 44.116 8.056 0.839 148583 44.192 4.485 1.868 134068 44.218 4.487 0.843 182884 44.135 1.851 1.857 2837065 44.134 1.858 0.839 2199362 50.181 9.202 0.761 133192 50.040 1.859 0.759 645277 50.062 3.346 0.755 206895 45.960 1.305 0.572 243764 45.926 1.674 0.569 870152 45.892 9.172 0.580 81120 45.903 4.628 0.570 527193 45.947 1.878 0.570 905599 45.937 0.769 0.568 3078908 45.931 0.564 0.568 57307132 45.925 1.518 0.569 1866200 45.907 8.078 0.569 163898 45.930 2.051 0.570 255002 45.904 2.327 0.568 443431 45.973 3.885 0.572 188826 45.932 8.265 0.573 234867 50.669 9.186 1.518 251084 50.697 1.848 1.519 495703 32.684 8.080 4.377 253008 32.594 2.834 4.375 558440 32.549 3.301 4.378 414612 32.566 3.394 4.375 718479 32.558 0.577 4.373 744552 32.585 0.886 4.374 732227 32.647 1.264 4.368 132475 32.594 1.844 4.386 260069 31.536 8.073 2.839 541478 31.510 8.076 3.275 593507 31.585 4.361 2.834 250248 31.509 3.267 2.837 2074542 31.418 7.948 3.274 222872 31.512 7.684 2.829 220735 31.510 7.682 3.275 342694 31.530 0.881 2.839 673817 31.489 0.880 3.267 430583 31.488 2.832 3.270 2120721 39.782 4.233 4.240 9805951 39.768 2.343 4.239 1175539 39.803 3.387 4.243 129395 39.746 8.819 4.250 104880 39.779 1.610 4.237 364675 39.714 2.060 4.237 271341 39.802 1.865 4.240 1007956 32.084 4.248 1.894 502991 31.901 4.241 2.348 518774 31.881 3.386 2.355 183327 32.294 4.375 1.893 269609 31.993 1.883 2.342 3291354 50.949 2.347 3.401 137545 50.928 3.398 4.308 1569746 50.952 4.321 3.398 1500248 50.932 4.308 4.306 1780600 50.927 1.790 4.309 648585 50.930 0.802 3.411 384565 50.907 0.796 4.309 372036 50.981 7.328 3.401 120700 50.981 7.309 4.307 98357 51.046 0.621 3.392 182909 50.950 0.608 4.307 365684 50.912 2.849 3.398 378705 50.932 2.849 4.307 267004 50.935 1.796 3.401 717232 50.766 2.342 1.784 677452 50.818 3.404 1.789 507400 50.779 4.297 1.788 570776 50.819 1.787 1.789 6418824 50.784 8.799 1.789 205176 50.830 0.628 1.789 249199 50.820 0.778 1.787 402861 32.387 8.812 4.530 359459 32.420 1.077 4.526 514092 32.409 1.594 4.531 1024804 32.430 7.768 4.531 152024 40.754 8.814 1.085 578862 40.812 8.807 1.598 250240 40.724 4.523 1.081 310749 40.808 4.527 1.595 323184 40.774 1.080 1.085 4386841 40.770 1.078 1.596 3504049 40.778 1.592 1.083 3075889 40.783 7.767 1.082 263907 40.813 7.773 1.595 205433 34.276 7.763 4.910 298192 34.259 2.950 4.909 724664 34.294 3.294 4.909 821452 32.675 4.924 2.980 159693 32.743 4.885 3.285 166902 32.774 2.957 3.291 2209695 32.766 3.289 2.964 2084706 32.538 7.199 2.970 104290 32.769 7.677 2.959 930612 32.757 7.674 3.291 607041 33.545 1.852 4.483 325449 33.609 0.818 4.489 605749 33.603 7.959 4.491 1131816 33.607 3.335 4.488 971435 33.617 7.688 4.487 237401 50.589 0.774 3.350 337746 50.706 0.595 3.358 118115 50.451 7.943 3.351 194085 50.514 4.477 3.348 395882 50.531 6.927 3.346 219248 50.510 3.343 3.345 11459115 50.589 1.868 3.348 71198 52.525 7.668 2.061 355859 52.512 7.675 2.119 282703 52.513 2.090 2.073 2894729 52.528 2.090 2.116 3157699 52.461 1.843 2.071 676589 52.477 1.839 2.112 622988 52.493 2.220 2.068 851283 52.493 2.230 2.112 790225 52.471 3.816 2.072 258737 52.481 3.820 2.112 304987 52.453 7.260 2.070 145333 52.552 7.248 2.118 219539 33.772 3.297 1.832 108967 33.765 3.289 2.253 187214 33.801 7.669 1.839 292346 33.801 7.669 1.839 292346 33.801 7.669 1.839 292346 33.804 7.674 2.253 438670 33.776 2.076 1.838 1745053 33.715 7.211 1.839 244603 33.850 7.191 2.251 203977 33.757 1.834 2.250 4540086 33.768 2.239 1.839 4017828 33.766 3.818 2.247 100180 33.943 1.827 1.829 18884314 39.931 1.674 4.675 193369 39.993 0.864 4.690 120842 39.959 0.567 4.676 1203162 39.833 8.087 4.680 158271 39.964 4.670 4.674 1155916 39.977 2.068 4.675 292077 39.998 1.877 4.675 281638 39.951 8.269 4.674 923051 40.027 1.505 4.675 251783 39.964 2.334 4.675 697423 32.208 0.567 2.069 256446 32.126 0.565 2.338 349451 32.151 4.677 2.080 101897 32.164 4.671 2.347 155028 32.164 2.069 2.341 3785404 32.215 1.900 2.063 3796988 50.985 0.569 3.809 175596 50.950 0.562 3.906 189231 51.009 4.823 3.910 129127 50.981 1.884 3.810 567843 50.955 1.888 3.905 597380 50.968 2.069 3.814 842802 50.927 2.064 3.902 560206 50.929 2.305 3.809 721525 50.967 2.306 3.903 613039 52.125 0.566 1.885 470686 52.115 0.573 2.314 289574 52.120 3.826 2.312 725417 52.145 3.908 2.312 464982 52.127 1.880 1.882 5719816 52.116 1.881 2.311 3907571 52.126 2.310 1.884 3522044 52.141 2.306 2.312 9300244 54.645 8.261 4.538 254275 54.583 4.533 4.540 2998710 54.607 1.522 4.543 797746 54.524 0.586 4.544 166189 54.623 0.881 4.538 972392 54.588 1.664 4.544 412560 54.632 9.256 4.541 1283242 43.476 8.277 1.474 252015 43.488 8.269 1.547 165651 43.500 1.530 1.551 3013080 43.409 0.572 1.485 491665 43.428 0.567 1.551 456196 43.451 0.877 1.483 362887 43.369 0.874 1.552 310558 43.406 9.245 1.484 297660 43.458 9.261 1.545 241122 43.380 2.747 1.541 143591 43.419 6.973 1.480 144463 43.406 6.974 1.566 123773 43.442 2.763 1.471 103906 52.446 1.072 0.571 778246 52.379 4.364 0.570 326358 52.398 1.519 0.570 710900 52.446 0.567 0.571 24831402 52.429 0.877 0.571 1057220 52.439 2.763 0.569 743535 52.522 3.052 0.573 256691 52.447 6.965 0.574 259942 52.418 1.273 0.571 164463 52.422 -0.548 0.570 764820 52.455 0.220 0.570 976816 52.468 9.217 0.576 159909 52.465 1.840 0.574 347756 49.475 4.367 0.891 462650 49.408 3.265 0.887 327073 49.447 4.534 0.888 543886 49.545 1.553 0.889 1081335 49.456 1.661 0.890 1284935 49.444 2.802 0.890 1664517 49.432 1.261 0.888 727909 49.433 1.843 0.888 687908 49.380 9.216 0.889 406729 51.751 8.272 1.667 236472 51.754 4.577 1.655 136356 52.011 0.565 1.663 598842 31.794 9.257 4.545 367448 31.737 2.201 4.540 741584 31.779 2.371 4.543 728302 31.753 8.593 4.540 2346449 31.837 1.052 4.535 234878 53.762 4.528 2.397 194985 53.724 2.377 2.386 6164048 53.714 2.505 2.200 828639 53.714 2.505 2.390 1411233 53.701 0.660 2.202 120312 53.703 0.639 2.382 184574 53.767 2.725 2.385 417714 53.755 2.960 2.205 261150 53.759 2.964 2.384 347338 53.764 9.253 2.386 521877 34.008 9.258 2.511 257372 33.988 4.545 2.505 123588 34.010 7.354 2.513 267477 34.077 8.595 2.306 159846 33.958 8.588 2.517 168545 34.014 0.658 2.309 339748 33.987 0.658 2.509 242165 33.926 1.386 2.297 253441 33.859 6.948 2.291 176855 33.830 7.304 2.298 357913 38.330 8.590 4.316 413887 38.298 2.005 4.308 379506 38.328 0.706 4.313 1068187 38.312 1.039 4.313 938301 38.330 9.036 4.312 2092949 38.094 1.335 4.309 88317 38.311 5.144 4.308 333735 38.292 6.959 4.311 204377 38.281 9.229 4.314 193099 38.334 1.576 4.315 114667 32.175 8.593 2.015 857296 32.161 0.705 2.018 1399359 32.165 1.043 2.016 1315511 45.572 4.312 0.708 845059 45.584 2.009 0.708 1733706 45.587 0.707 0.708 70698768 45.578 1.047 0.706 1953129 45.607 9.039 0.706 500148 45.590 1.367 0.708 384918 45.565 2.940 0.707 231902 45.569 6.963 0.712 191108 45.579 6.756 0.708 357604 45.586 8.591 0.709 261210 44.995 8.349 1.062 752355 45.000 4.231 1.062 813356 44.946 0.584 1.053 1376584 44.887 8.592 1.045 1143461 44.896 4.300 1.046 851512 44.893 2.013 1.046 1858051 44.897 0.707 1.046 3311723 44.878 9.040 1.045 217154 44.917 6.966 1.048 1103066 44.931 6.758 1.049 1073877 45.010 9.208 1.060 249986 44.983 -0.535 1.064 1028118 44.953 0.225 1.050 301846 44.950 1.490 1.075 265417 53.714 9.039 4.551 366848 53.721 1.352 4.551 1089830 53.702 0.659 4.552 1483359 53.675 8.493 4.552 877139 42.508 9.041 1.341 260483 42.576 9.036 1.599 405001 42.585 4.548 1.345 243402 42.546 4.512 1.591 132509 42.627 8.553 1.597 200388 42.538 2.386 1.343 267196 42.609 2.382 1.597 379707 42.599 2.533 1.337 119268 42.627 2.522 1.604 158810 42.576 0.645 1.346 728740 42.532 0.644 1.599 865665 49.477 1.597 0.640 434191 49.482 2.392 0.642 261064 49.410 2.487 0.636 189904 49.488 9.236 0.620 74486 49.537 2.690 0.644 342335 49.511 2.959 0.643 193027 49.477 6.965 0.639 144494 49.490 0.637 0.641 60462360 47.476 7.316 0.659 177908 47.477 8.542 0.676 91259 47.427 4.542 0.661 478425 47.459 2.336 0.659 314803 47.444 1.380 0.663 1304805 50.884 9.039 1.405 388804 31.853 1.322 4.880 484167 31.814 8.248 4.881 317064 31.801 0.575 4.875 99052 31.864 0.763 4.877 152212 31.867 8.574 4.874 304777 31.859 1.687 4.885 410469 31.817 1.814 4.884 390329 33.745 8.494 1.700 267915 33.757 8.500 1.820 98598 33.821 1.349 1.700 704024 33.888 4.909 1.805 87809 33.777 1.345 1.817 738652 53.497 1.404 1.677 2722172 49.437 0.720 1.299 438802 49.470 8.522 1.384 99446 49.395 1.328 1.302 12717725 49.435 1.350 1.379 13465887 49.473 2.934 1.304 239174 49.462 2.938 1.382 296543 49.435 0.750 1.379 373008 49.447 1.686 1.300 1363585 49.441 1.681 1.377 1025703 49.458 1.803 1.302 506878 49.458 1.813 1.377 292907 52.208 8.246 4.568 162060 52.138 1.355 4.566 1563868 44.915 8.257 1.359 233329 44.869 4.564 1.358 529684 45.718 3.726 4.117 6271122 45.718 4.116 3.734 6346502 45.731 7.860 3.725 107714 45.660 7.848 4.128 105795 51.268 4.660 4.661 4016535 51.280 1.417 4.661 1327599 51.264 8.108 4.661 1181949 45.427 7.846 1.418 472567 45.389 4.664 1.420 440253 45.403 8.114 1.420 680642 37.564 1.330 4.626 160101 37.568 8.123 4.620 220705 37.517 1.821 4.624 446665 37.543 0.570 4.624 732949 37.530 0.748 4.627 606605 37.552 8.580 4.625 1673928 34.199 8.117 1.830 354440 34.181 0.570 1.826 1256997 34.171 0.750 1.827 1199720 34.159 8.584 1.825 199261 45.339 9.021 0.570 228683 45.258 8.111 0.580 174434 45.325 4.620 0.571 207999 45.256 1.822 0.573 1408761 45.267 0.568 0.573 87716248 45.321 8.580 0.574 563725 45.362 6.759 0.573 287409 45.159 0.917 0.771 5165745 45.101 1.335 0.764 281726 45.053 8.112 0.760 391643 45.067 4.624 0.759 210948 45.062 1.824 0.760 1553528 45.172 0.582 0.757 5576842 45.066 0.759 0.760 92032224 45.089 8.589 0.762 224489 52.887 8.583 5.069 317394 52.898 5.067 5.070 6068178 52.918 2.392 5.067 643358 52.921 2.525 5.073 894863 52.908 8.991 5.068 1259158 52.910 6.958 5.065 220560 52.929 0.982 5.077 112329 45.585 1.333 2.380 157231 45.530 1.336 2.520 118087 45.593 1.590 2.378 429089 45.569 1.606 2.522 271787 45.540 0.623 2.375 188712 45.516 0.630 2.521 200944 45.535 8.570 2.384 366406 45.528 8.578 2.521 267830 45.545 5.073 2.388 252048 45.529 5.075 2.522 398642 45.544 2.384 2.384 5890420 45.546 2.389 2.524 4378017 45.556 2.521 2.384 3848510 45.553 2.523 2.525 5889240 45.531 8.997 2.380 256184 45.594 8.992 2.526 421816 45.567 0.982 2.379 330335 45.549 0.985 2.524 592978 33.461 1.576 5.147 152099 33.318 0.573 5.148 172677 33.514 1.030 5.150 186204 33.483 5.142 5.148 7082572 33.427 2.756 5.153 674018 33.524 3.028 5.143 642968 33.439 6.965 5.150 509569 33.441 9.235 5.149 1517387 33.608 8.747 5.142 734282 33.401 0.644 5.146 153178 33.457 9.005 5.150 396135 41.259 1.563 2.750 159963 41.231 0.569 2.767 609185 41.232 0.573 3.050 294201 41.170 0.881 2.752 182424 41.288 0.849 3.043 122576 41.235 8.993 3.081 249295 41.216 5.144 2.767 184064 40.849 5.145 3.070 193885 41.218 2.746 2.755 4195936 41.251 2.769 3.037 1683489 41.240 3.044 2.763 1656593 41.317 6.974 3.074 270555 41.328 1.020 3.091 113761 41.193 1.836 2.755 172866 41.164 1.854 3.067 199625 41.198 0.211 2.775 224636 41.199 0.222 3.055 213955 41.192 6.971 2.741 600535 32.593 2.691 5.081 773732 32.550 2.972 5.076 475968 32.572 6.975 5.082 372878 32.577 9.161 5.083 1393664 32.584 0.960 5.085 226677 32.553 1.731 5.079 143253 32.577 8.791 5.081 252621 32.539 1.838 5.076 182156 32.712 0.614 5.101 114655 44.481 2.192 2.689 140424 44.418 2.196 2.968 297212 44.446 2.374 2.691 183409 44.413 2.384 2.969 386532 44.409 2.504 2.966 229944 44.421 9.229 2.693 412444 44.433 9.240 2.968 519916 44.434 5.089 2.688 279298 44.423 5.084 2.964 171585 44.416 2.686 2.688 5182735 44.426 2.686 2.970 3003277 44.413 2.964 2.687 3196888 44.346 2.961 2.965 4597096 44.450 6.974 2.686 562027 44.413 6.973 2.969 599378 44.391 0.984 2.685 227969 44.418 0.648 2.690 504277 44.415 0.649 2.970 400793 53.700 0.878 2.787 425371 53.700 0.888 2.821 504715 53.700 9.164 2.787 312958 53.671 9.159 2.823 370916 53.678 3.086 2.790 450402 53.700 3.084 2.821 323113 53.745 3.397 2.814 191564 53.654 7.625 2.793 338860 53.693 7.615 2.833 266205 53.673 0.633 2.778 210641 53.700 0.624 2.834 118663 32.799 6.973 4.200 168221 32.791 7.291 4.198 708981 32.772 9.516 4.196 283700 32.791 1.888 4.198 831365 32.810 2.292 4.199 435975 32.771 8.901 4.199 151806 32.785 2.030 4.197 1280588 52.809 7.277 2.024 140186 53.023 9.511 1.891 254074 52.951 9.514 2.032 231908 52.948 4.188 1.885 334437 52.960 4.194 2.030 409562 52.988 1.885 1.885 4688759 52.985 1.887 2.029 3460161 53.014 2.292 1.884 484628 52.966 2.289 2.029 863625 52.966 2.033 1.885 5044071 52.993 2.030 2.030 6657832 33.826 6.975 2.052 130485 33.862 7.287 2.043 113068 33.893 9.511 2.038 247951 33.853 9.499 2.292 172916 33.810 4.179 2.047 267571 33.777 4.184 2.291 170314 33.786 2.289 2.042 5144744 31.355 8.901 4.602 356346 31.353 3.318 4.601 1034989 54.306 8.898 3.090 334332 54.351 8.900 3.320 195430 54.297 4.583 3.086 139887 54.274 4.588 3.326 156189 54.342 3.089 3.321 2531278 54.327 3.321 3.088 2564318 54.376 3.314 3.320 3253511 54.324 7.267 3.082 181209 45.129 7.301 3.493 230160 45.203 7.298 4.170 170335 45.168 3.487 4.181 3492012 45.172 4.175 3.490 3597468 45.036 7.496 3.497 109015 45.142 7.514 4.186 223715 35.877 7.525 4.675 243305 35.852 3.069 4.670 307086 35.906 3.415 4.672 694911 35.892 7.179 4.671 465415 35.892 7.618 4.674 128632 54.080 2.805 3.087 578180 54.130 2.809 3.425 464933 54.084 7.516 3.088 280257 54.101 7.522 3.428 229075 54.104 3.087 3.423 2146120 54.086 7.610 3.101 150268 54.085 0.628 3.089 276775 54.103 0.627 3.421 404879 45.755 7.288 3.016 366907 45.762 7.301 3.777 273977 45.793 7.633 3.019 905372 45.760 3.012 3.775 3931852 45.735 3.769 3.017 3585630 45.766 8.451 3.018 752381 45.792 8.451 3.777 1361031 45.830 1.718 3.761 183999 42.326 8.987 1.714 100268 42.440 8.453 1.711 1254859 42.455 0.988 1.714 1865164 42.426 8.787 1.716 232045 42.391 6.991 1.711 115698 42.449 1.710 1.714 29280106 48.815 8.445 0.998 104785 48.933 1.714 1.003 2082073 48.695 2.529 0.982 450526 48.855 9.004 0.990 130708 48.788 5.084 0.989 144291 48.677 2.680 0.977 261780 48.825 8.783 0.985 148498 48.985 6.968 0.997 98005 51.357 6.975 1.713 222627 51.331 8.449 1.718 463676 51.440 0.989 1.716 1106001 33.318 8.779 4.298 248818 33.192 1.840 4.289 512269 33.260 0.777 4.295 1518485 33.279 8.485 4.291 1262228 33.279 8.485 4.291 1262228 33.279 8.485 4.291 1262228 33.192 1.840 4.289 512269 37.848 2.763 1.854 161132 37.886 3.026 1.837 237009 37.950 6.999 1.840 92048 37.824 8.785 1.851 483407 37.808 4.293 1.848 188069 37.867 1.256 1.849 581069 37.860 0.789 1.847 877742 37.813 0.216 1.843 279967 37.869 0.606 1.847 365038 33.785 3.084 0.639 458425 33.776 8.787 0.640 179765 33.764 4.293 0.637 1231869 33.762 0.632 0.638 39651552 33.770 1.250 0.638 1083372 33.767 2.803 0.637 463308 33.765 3.412 0.637 688461 33.759 1.839 0.638 1927088 51.213 8.792 1.254 192955 51.185 8.794 1.852 247862 51.210 0.625 1.254 679912 51.194 0.628 1.851 724922 51.204 1.249 1.851 1879820 51.156 4.297 1.253 161716 51.208 1.843 1.252 2655576 42.162 3.394 0.795 459900 42.146 8.781 0.791 93035 42.144 1.259 0.794 573839 42.141 0.790 0.793 34710408 42.195 8.475 0.796 278586 42.217 8.016 0.806 88516 42.396 3.325 0.796 128701 42.252 6.815 0.786 115052 42.138 2.851 0.793 444008 42.154 0.217 0.792 1356374 42.161 4.298 0.794 1023601 42.158 1.836 0.793 2195532 34.563 8.485 4.447 331514 34.656 3.857 4.454 2525041 34.502 4.109 4.447 879740 34.424 9.070 4.449 324797 39.716 8.484 3.848 551824 39.718 8.477 4.109 484762 39.811 4.447 3.849 1538545 39.812 3.854 4.110 9351735 39.723 4.104 3.845 5063342 39.726 1.522 4.109 182759 39.710 8.028 3.845 176097 39.702 8.035 4.097 105850 39.733 1.650 3.845 480648 39.728 1.664 4.111 208625 36.496 1.705 3.895 334667 32.289 6.756 2.188 130736 32.314 3.915 2.197 453601 32.315 2.197 2.199 7498914 53.589 6.758 1.963 202980 53.556 3.186 1.964 906609 53.557 1.958 1.963 43366848 53.544 1.721 1.963 2949826 53.579 1.455 1.966 192286 42.424 1.959 3.184 717371 42.439 1.707 3.207 466150 49.468 6.987 1.713 148452 49.461 6.760 1.722 157125 49.531 3.915 1.718 330362 49.496 2.179 1.715 379192 49.550 3.196 1.722 409721 49.501 1.961 1.719 1751221 33.943 1.497 4.227 452170 33.845 6.855 4.233 95198 33.923 8.031 4.231 277108 33.939 1.880 4.229 1444502 33.938 1.732 4.227 264047 32.362 8.042 1.836 200144 32.409 4.218 1.843 599010 32.399 4.239 1.904 663178 32.396 1.508 1.853 886408 32.412 8.022 1.917 344668 32.412 1.528 1.920 1416940 53.214 4.227 1.737 124671 53.207 3.044 1.741 1052488 53.196 1.508 1.739 3565436 42.136 1.737 3.048 1912539 42.126 1.495 3.047 715280 48.996 8.041 1.489 142014 49.026 4.224 1.496 341657 49.079 1.866 1.500 1193443 49.088 1.736 1.498 2718043 49.071 3.055 1.497 299524 49.081 1.494 1.501 36886040 32.056 0.817 4.366 587362 32.019 7.959 4.355 601744 32.013 1.937 4.346 1152489 31.996 6.849 4.349 217626 32.008 1.661 4.357 1550030 32.458 0.782 1.674 313073 32.422 0.785 1.935 320835 32.404 8.025 1.685 362336 32.333 4.338 1.678 204507 32.408 1.678 1.939 2931214 32.393 1.928 1.682 2539938 32.377 3.188 1.687 192560 32.412 1.498 1.675 563616 32.331 1.673 1.681 3407877 43.531 4.364 3.204 210289 43.496 1.539 3.214 647774 43.496 1.529 3.349 660376 43.554 1.634 3.348 1051194 53.013 3.827 1.638 131104 53.025 8.026 1.535 206909 53.083 7.994 1.633 144598 53.021 4.343 1.532 362351 53.038 4.332 1.632 270534 53.079 3.208 1.529 185519 53.036 3.203 1.635 284714 52.990 3.347 1.535 365659 53.040 3.350 1.638 479539 53.006 1.546 1.531 5036334 53.011 1.932 1.524 424190 53.045 1.933 1.635 443185 41.148 3.396 2.861 324258 41.085 4.308 2.860 179739 41.167 0.572 2.854 183746 41.160 0.798 2.860 371032 41.151 6.862 2.853 255890 41.191 1.370 2.869 289505 41.192 -0.548 2.858 685272 41.180 0.220 2.851 648682 41.190 7.317 2.858 1383315 41.171 2.854 2.862 7728132 32.131 3.924 1.343 121411 32.276 6.847 1.350 628764 32.180 2.864 1.354 177148 32.277 1.354 1.358 5305140 32.277 -0.541 1.356 683242 32.282 0.224 1.354 859176 32.319 7.226 1.359 155837 45.158 4.209 -0.536 257127 45.191 1.066 -0.532 731555 45.234 9.201 -0.530 167799 45.087 0.569 -0.575 382050 45.112 6.825 -0.528 86174 45.167 2.856 -0.529 435426 45.175 1.357 -0.530 671051 45.195 -0.536 -0.532 22533818 45.192 0.231 -0.530 980264 45.222 7.310 -0.528 463231 45.082 6.979 -0.530 223560 47.033 0.572 0.230 660803 46.987 1.835 0.232 293973 46.997 0.795 0.236 659398 47.043 3.890 0.199 327713 47.002 6.832 0.232 803475 47.002 6.832 0.232 803475 47.011 2.848 0.233 653621 47.004 1.356 0.235 1010584 47.012 -0.540 0.230 1525035 47.008 0.226 0.228 27123194 54.623 7.313 4.379 381784 54.578 1.621 4.385 571185 54.529 1.836 4.381 597061 54.526 1.980 4.388 344808 54.546 2.075 4.389 321249 54.563 8.379 4.384 1405386 54.675 0.820 1.608 165962 54.741 0.834 1.845 279304 54.739 4.221 1.620 174122 54.720 7.319 1.622 442648 54.713 7.319 1.839 389125 54.714 4.378 1.621 357298 54.711 4.370 1.841 370478 54.727 1.610 1.617 5803911 54.707 1.620 1.839 3351074 54.694 2.079 1.621 543497 54.724 8.381 1.610 92323 54.717 1.839 1.620 3730320 35.872 0.566 2.103 86242 35.931 7.316 1.979 101012 36.046 7.322 2.102 132184 36.015 4.367 1.974 196282 36.016 1.620 1.982 642148 35.994 1.622 2.090 627629 35.971 0.829 1.978 367863 35.975 0.832 2.085 404292 33.867 4.209 5.403 500620 33.858 9.196 5.392 151969 33.825 8.372 5.403 192946 33.833 2.714 5.402 278564 33.867 2.897 5.405 508428 33.805 6.977 5.402 382576 33.837 8.830 5.400 1132484 33.777 0.804 5.402 181113 41.092 1.591 2.870 193374 41.201 8.382 2.713 348752 41.113 8.365 2.894 118660 41.116 5.398 2.708 178865 41.176 5.399 2.891 266156 41.200 2.711 2.717 3786347 41.183 2.716 2.890 1989432 41.181 2.882 2.712 1813180 41.170 6.965 2.884 409968 41.341 0.870 2.698 102336 35.874 8.795 2.252 110157 35.868 2.282 2.282 11485916 35.776 8.541 2.254 791762 35.797 0.824 2.256 2191247 45.795 1.669 0.856 160058 45.687 1.995 0.860 333859 45.734 8.837 0.858 228949 45.703 4.681 0.857 173106 45.713 2.246 0.860 1574760 45.680 8.542 0.862 204778 43.044 9.178 0.805 184438 43.035 1.301 0.797 129627 43.023 1.675 0.799 1568997 43.004 2.960 0.799 258050 43.010 1.525 0.798 546486 43.020 5.389 0.792 111701 43.025 8.835 0.800 717857 43.015 2.249 0.799 1776204 43.018 8.537 0.800 248914 43.051 8.020 0.803 94735 43.035 0.799 0.799 54523372 31.437 8.427 4.434 419882 31.736 1.676 4.463 875506 31.754 8.020 4.466 923080 31.795 0.817 4.464 942350 41.783 8.540 1.659 528465 41.767 0.959 1.667 784834 41.774 8.017 1.691 180978 41.806 0.837 1.665 688993 49.761 2.113 0.964 187256 49.728 0.966 0.968 69629600 49.626 1.667 0.969 849157 51.182 8.535 1.745 482959 51.183 0.815 1.740 800359 53.867 1.677 4.066 695423 53.801 2.948 4.063 218302 53.769 0.809 4.061 175362 53.847 7.986 4.066 340953 53.806 1.285 4.067 1972317 44.530 2.027 1.285 301470 44.461 2.187 1.280 198313 44.501 1.684 1.295 528355 44.523 8.013 1.284 651569 44.514 4.066 1.290 1701749 c13_noesy_arom.list w1 w2 w3 Data Height 119.505 3.008 6.927 132573 131.663 1.629 7.196 133771 120.553 3.913 6.884 39460 120.706 0.864 6.901 172552 120.712 2.706 6.899 100771 123.711 7.266 7.269 10134407 123.661 3.393 7.265 170013 131.652 3.005 7.193 358090 131.549 7.192 7.194 22231478 131.595 6.982 7.207 2494352 129.405 7.200 6.997 1550039 129.471 6.991 6.999 4752464 119.649 3.348 6.934 359851 133.406 1.507 6.967 240583 133.329 0.579 6.968 345683 133.289 4.313 6.965 100048 133.319 8.993 6.962 311766 133.386 5.124 6.977 235314 133.334 2.754 6.967 533474 133.314 3.045 6.969 469152 133.354 6.965 6.968 12476718 133.334 6.756 6.968 3197732 133.246 3.913 6.982 100093 133.395 0.210 6.964 210973 133.297 1.058 6.968 545782 117.687 0.682 6.758 312139 117.662 6.963 6.757 4008635 117.655 6.755 6.756 14688042 117.662 1.986 6.755 177033 117.718 1.724 6.751 186744 117.731 7.172 6.756 342602 117.668 1.061 6.756 791971 129.988 7.293 7.297 8125586 131.548 2.284 6.972 203293 131.703 2.700 6.980 514447 131.637 2.969 6.978 478506 131.612 7.287 6.979 4368281 131.660 2.041 6.983 166948 131.574 1.721 6.980 337891 131.471 0.627 6.981 126995 131.583 0.980 6.979 243673 131.581 2.694 7.284 88314 131.638 4.195 7.295 243564 131.714 2.289 7.300 112509 131.727 1.694 7.301 123819 131.732 2.027 7.300 120808 131.667 2.994 7.294 252953 131.682 1.003 7.290 97934 121.275 2.084 7.259 368514 121.217 1.839 7.259 112929 121.309 8.917 7.258 127265 121.260 3.079 7.261 151057 121.303 7.257 7.259 6111566 118.129 3.439 7.176 123042 118.075 7.176 7.180 4955002 137.657 2.959 7.671 1239707 137.675 3.297 7.670 560242 129.002 -0.576 6.974 72121 131.707 4.208 6.982 127950 132.046 8.363 6.978 116498 131.943 5.412 6.972 160140 131.976 2.717 6.977 363367 131.922 2.901 6.977 349239 131.577 1.077 7.210 170833 131.638 1.340 7.199 140105 131.496 -0.533 7.222 93752 d2o_c13_noesy_aliph.list w1 w2 w3 Data Height 46.009 0.692 1.295 181385 52.829 1.647 5.081 77755 54.792 6.815 5.056 118730 32.797 2.304 2.081 346959 33.807 4.217 1.849 161969 42.489 0.864 1.609 642850 42.511 4.377 1.603 349103 32.198 4.414 2.271 832534 32.192 2.274 1.893 3445900 32.192 1.897 2.269 3608844 49.725 4.368 0.963 170487 47.550 4.380 0.835 655339 51.163 4.398 1.719 226220 32.500 1.725 4.382 130701 33.818 0.644 1.860 199124 45.760 1.610 1.294 131949 51.646 3.225 1.718 593806 34.202 3.323 4.909 559542 45.853 0.771 1.293 112207 53.776 2.544 4.840 781870 39.691 0.855 3.849 162815 46.220 2.161 0.864 135859 48.667 2.523 0.985 396971 45.817 1.846 0.862 188802 49.717 4.586 0.964 105963 32.117 3.909 1.841 266583 32.298 4.237 1.905 687624 43.359 0.899 1.554 186195 34.252 2.773 4.816 748017 34.626 0.871 4.464 101457 44.688 0.790 1.302 566146 32.267 2.384 2.072 3697292 32.061 0.873 1.850 1973934 42.524 1.680 2.698 176830 34.201 2.686 1.671 104376 34.249 3.081 1.690 108678 33.861 1.892 4.144 1011268 33.853 1.705 4.141 496670 51.152 3.197 1.677 637673 51.728 3.030 1.408 151818 53.381 0.576 1.680 309930 31.927 4.242 2.359 383606 32.202 4.408 1.891 404958 32.298 4.237 1.905 687624 32.003 1.887 2.351 1697921 54.649 4.816 4.550 320990 33.861 1.393 2.303 95212 33.785 0.760 1.708 96443 45.321 5.096 0.572 130404 45.332 6.966 0.574 103195 45.107 1.699 0.768 311603 45.105 2.935 0.769 125562 52.808 0.596 5.086 148048 52.754 1.006 5.085 174609 41.207 1.510 3.088 88862 52.976 7.237 2.022 86761 33.733 4.195 2.030 239055 48.665 6.990 0.985 403462 42.196 1.262 0.795 438008 43.370 4.406 3.200 312460 41.079 1.347 2.853 245740 41.080 0.216 2.854 717527 45.089 6.963 -0.570 301031 33.728 2.713 5.424 232724 41.729 4.371 1.677 425176 31.327 2.075 4.436 814876 31.350 2.429 4.432 415694 32.013 4.436 2.484 120743 32.197 2.163 4.283 587725 32.199 2.236 4.294 662516 32.204 1.922 4.282 1817548 32.163 0.869 4.280 261273 54.691 4.279 1.908 828691 54.699 2.145 1.909 1019873 54.706 2.222 1.914 666335 36.649 4.281 2.158 398922 36.697 4.288 2.260 560210 36.703 1.918 2.149 1353138 36.695 1.936 2.261 1700974 36.684 0.874 2.149 325572 36.663 0.875 2.261 423519 53.675 1.308 4.604 690221 53.680 0.862 4.599 1110030 53.651 1.601 4.593 732495 44.778 4.591 1.309 405541 44.779 4.596 1.572 208251 44.802 1.304 1.571 1500497 44.787 1.574 1.306 1877550 44.808 1.576 1.572 2869497 44.688 0.790 1.302 566146 44.796 0.776 1.573 425367 49.961 4.619 0.762 185587 49.856 1.298 0.766 464043 49.956 1.574 0.767 980181 49.961 4.619 0.762 185587 47.374 4.597 0.861 1439912 47.354 1.303 0.859 597227 47.398 1.612 0.857 1453469 50.936 4.591 1.628 212846 50.917 1.313 1.625 301630 50.892 0.859 1.626 553378 55.080 2.662 4.842 0 55.080 3.906 4.842 0 32.277 4.844 2.657 188278 32.295 4.840 2.774 178799 32.343 2.651 2.657 3292392 32.333 2.664 2.780 1371524 32.297 2.779 2.783 1851325 32.324 6.873 2.788 84848 32.331 4.159 2.654 193435 32.372 4.159 2.785 188006 33.255 3.122 4.300 348983 33.266 3.956 4.305 763644 33.217 4.143 4.304 775628 33.254 1.554 4.302 129143 33.178 4.291 4.294 12248617 33.205 0.654 4.297 1379579 31.860 4.313 3.115 271748 31.838 4.312 3.210 164965 31.793 4.164 3.122 65541 31.846 4.147 3.200 91897 40.318 2.092 4.469 929508 40.318 2.408 4.469 1407654 32.338 4.465 2.404 942153 32.320 2.080 2.404 3368594 32.371 3.958 2.402 172132 32.417 4.143 2.080 180848 32.314 4.129 2.402 89986 32.721 0.928 2.054 1655036 32.355 4.466 2.072 530002 32.267 2.384 2.072 3697292 51.544 4.307 3.958 708269 51.550 4.304 4.139 689140 51.543 2.380 3.963 124095 51.590 2.361 4.143 125719 51.540 3.959 3.958 2653107 51.543 3.959 4.140 1813163 51.535 4.141 3.959 1805960 51.575 4.139 4.138 2162296 51.545 2.138 3.959 630215 51.535 2.135 4.140 622756 51.629 0.671 3.958 218729 51.552 0.686 4.141 149400 51.551 0.956 3.962 144188 51.543 0.834 3.957 322622 51.554 0.840 4.138 389308 51.372 4.310 2.141 173928 51.363 4.464 2.143 297042 51.347 2.394 2.140 869790 51.367 3.959 2.141 622958 51.364 4.142 2.139 666948 51.352 2.138 2.139 12993773 51.365 0.965 2.142 229736 51.358 0.839 2.142 483954 33.392 2.283 4.503 1093049 53.782 4.509 2.278 350607 53.708 4.521 2.206 639694 33.622 4.499 2.393 188062 35.179 2.294 5.047 123983 35.152 5.045 5.046 4235436 35.154 2.561 5.046 560491 35.153 3.252 5.045 585150 32.724 5.046 2.564 357165 32.701 5.042 3.255 425067 32.701 2.563 3.255 1285465 32.710 3.261 3.261 1745972 32.694 3.251 2.565 1257065 35.040 2.658 4.169 473340 35.035 2.768 4.173 273372 35.081 3.189 4.166 106143 35.039 2.474 4.170 480370 35.035 2.303 4.169 952034 50.078 4.165 2.342 312469 50.052 4.176 2.481 298177 50.076 2.327 2.342 2729127 50.072 2.325 2.481 2353138 50.078 2.475 2.342 1925150 50.069 2.477 2.480 2914104 34.472 4.169 2.266 615076 34.464 2.470 2.266 1874139 34.471 2.268 2.267 27055724 34.096 2.429 4.540 128136 33.963 3.395 4.536 681827 33.951 0.872 4.537 135897 31.344 4.540 3.398 302568 31.333 7.255 3.402 128205 31.334 3.398 3.400 3831186 31.387 3.827 3.394 219957 40.054 4.837 3.912 722963 40.068 6.878 3.913 124350 40.047 1.847 3.912 481306 40.157 1.510 3.905 81355 40.038 0.875 3.912 1090890 32.090 3.910 1.852 439944 32.061 0.873 1.850 1973934 45.112 3.907 0.883 477985 45.130 1.857 0.883 1318757 46.245 6.877 0.864 169616 46.238 3.910 0.863 685281 46.243 1.859 0.863 1318480 46.264 0.866 0.862 51800600 54.252 1.154 4.500 556514 54.220 0.746 4.498 1062490 54.231 1.540 4.498 566579 43.886 4.506 1.146 216624 43.873 4.510 1.529 175169 43.868 1.143 1.143 946834 43.874 1.141 1.524 979744 43.876 0.675 1.521 354283 43.899 0.707 1.133 330598 43.864 1.529 1.135 1097372 50.717 4.834 0.661 125087 50.713 4.304 0.663 365753 50.686 3.114 0.660 110009 50.750 3.947 0.666 210093 50.712 4.509 0.661 246345 50.706 1.164 0.662 596284 50.701 0.663 0.662 17980098 50.720 1.272 0.664 872281 50.684 4.155 0.663 129647 50.744 1.553 0.663 3293395 47.684 4.300 0.745 453463 47.692 4.500 0.747 909232 47.699 1.152 0.745 442038 47.688 1.550 0.747 954660 47.699 1.234 0.747 367320 47.672 4.656 0.746 530181 47.694 3.148 0.744 647365 47.712 2.689 0.745 470845 50.831 4.828 1.554 121598 50.729 4.467 1.540 144955 50.852 1.158 1.549 175736 50.760 0.666 1.553 2152344 53.614 2.697 4.927 1017092 42.536 4.923 2.694 563764 31.730 1.818 4.803 208830 31.673 2.202 4.797 189763 31.715 5.195 4.799 708086 31.627 1.253 4.800 144003 31.670 2.065 4.798 457713 54.726 4.802 1.827 204738 54.743 4.804 2.038 184790 54.721 1.830 2.036 1578849 54.694 2.041 1.824 2168254 54.594 2.035 2.032 3382195 54.622 2.183 2.036 791445 54.651 1.837 1.830 7577918 34.364 4.809 2.100 199092 34.309 4.795 2.198 179746 34.341 1.825 2.105 359505 34.345 1.825 2.198 432697 54.001 2.528 4.636 254384 42.807 4.631 2.537 169463 45.593 2.991 3.286 1457009 45.590 3.283 2.991 1222355 54.739 2.006 5.058 104188 54.775 2.966 5.056 393939 54.783 3.137 5.057 306425 54.735 4.297 5.058 341694 54.741 2.280 5.058 222221 32.468 5.065 2.971 231849 32.494 5.045 3.131 191546 32.477 2.968 3.131 1461808 32.482 3.128 2.965 1203587 32.496 3.130 3.129 2217863 50.440 4.793 5.204 633676 50.443 1.255 5.203 932650 46.486 4.486 1.260 88235 46.413 0.671 1.253 835863 46.427 0.788 1.256 630176 46.416 4.792 1.252 169838 46.380 2.103 1.257 185446 45.890 5.049 1.291 272723 46.402 5.198 1.254 884253 45.903 1.293 1.293 7885682 46.396 1.600 1.254 793682 46.392 2.267 1.256 163400 54.099 1.666 5.181 282155 54.120 1.372 5.182 148138 34.170 5.191 1.692 221865 34.172 3.081 1.661 113937 34.243 2.978 1.680 204030 43.140 1.663 3.004 159168 43.103 1.675 3.105 225236 43.122 1.378 2.994 292226 43.095 1.381 3.101 366063 51.824 5.181 1.379 137185 51.788 3.052 1.353 218624 35.006 0.751 4.667 613220 34.956 2.689 4.662 410116 34.990 3.160 4.665 227030 31.598 0.745 2.683 379915 31.652 0.747 3.157 290399 31.618 4.663 2.687 231957 31.598 4.661 3.157 143650 31.590 2.698 3.164 1159504 31.607 3.160 2.687 1231290 31.586 1.977 2.685 105553 31.597 1.967 3.181 105951 33.861 1.892 4.144 1011268 33.889 3.227 4.142 160199 33.853 1.705 4.141 496670 54.692 0.871 1.906 459208 54.352 4.140 1.869 403460 54.347 4.138 1.914 391502 54.350 3.228 1.863 261323 54.332 3.228 1.908 291986 43.378 0.859 3.215 207917 43.375 1.879 3.221 1379839 43.382 1.692 3.215 2998607 51.152 3.197 1.677 637673 51.166 4.403 1.677 220928 35.892 3.090 4.362 498530 35.824 3.856 4.386 1648237 38.865 3.403 3.086 107648 38.833 3.403 3.840 299567 38.839 4.366 3.090 180860 38.874 4.360 3.834 226554 38.841 3.094 3.099 916211 38.816 3.092 3.835 1358040 38.833 3.832 3.081 879002 35.954 2.926 4.138 602938 35.927 3.104 4.139 960888 49.938 4.138 2.924 478085 49.931 4.139 3.103 681970 49.928 2.923 2.924 15320901 49.929 2.925 3.102 5761068 49.931 3.101 2.925 5591584 49.928 3.103 3.103 14650248 45.992 3.813 4.230 1527466 45.987 4.231 3.811 1867228 33.602 1.987 4.283 173774 33.517 2.047 4.287 188642 54.170 4.298 1.967 301857 54.190 4.300 2.043 314570 33.050 5.231 5.236 3310328 33.052 3.021 5.237 405007 33.002 7.182 5.233 114823 33.002 7.182 5.233 114823 41.072 5.231 3.013 258786 41.045 7.187 3.009 211404 35.700 1.618 4.273 290802 35.682 1.199 4.274 342204 35.675 1.386 4.272 261295 35.688 0.840 4.273 969538 41.618 4.298 1.626 148465 41.533 1.244 1.625 406897 41.563 0.838 1.628 889802 38.175 3.962 0.852 194171 38.136 4.144 0.850 336901 38.150 2.132 0.849 266786 38.186 2.301 0.851 188574 38.219 4.285 0.847 354028 38.195 1.628 0.847 316243 38.195 1.206 0.848 510538 38.187 1.385 0.849 511884 38.182 0.847 0.848 27367922 51.896 2.250 1.390 92371 51.827 4.278 1.191 210955 51.769 4.276 1.388 233917 51.786 1.633 1.196 248409 51.784 1.195 1.193 3996877 51.773 1.200 1.386 2056539 51.786 1.385 1.194 1819075 51.799 0.845 1.193 760932 51.791 0.841 1.385 816979 51.771 1.647 1.387 654592 51.768 1.384 1.386 7911702 42.447 4.279 0.840 761597 42.452 1.624 0.841 936042 42.451 1.210 0.840 587107 42.436 1.384 0.840 413926 42.442 2.018 0.841 183187 42.410 2.271 0.841 135492 32.188 5.051 4.307 271882 32.169 2.002 4.309 1006050 54.160 1.293 1.965 158843 54.172 1.295 2.041 188849 36.639 4.297 2.223 295744 36.674 2.037 2.212 1315338 36.662 1.314 2.230 132362 55.080 1.559 4.845 0 35.181 1.805 1.798 858679 35.214 1.793 2.147 613139 35.235 2.151 1.792 581606 35.179 2.012 1.793 280403 41.396 1.240 1.580 710519 41.385 1.582 1.580 47190332 41.377 2.034 1.579 481389 41.396 2.248 1.580 428188 41.386 2.705 1.578 243351 41.404 2.893 1.580 362754 41.368 6.968 1.580 116990 41.393 4.710 1.581 402838 41.392 2.141 1.579 692756 41.384 0.803 1.582 1564360 32.872 5.044 2.280 86445 32.897 1.276 1.999 114712 32.893 1.255 2.276 126966 32.922 1.796 2.278 358822 32.856 1.585 2.001 196249 32.830 1.598 2.282 172553 32.883 2.011 2.276 1187158 32.863 4.701 1.999 174149 32.914 4.696 2.275 154449 32.916 0.827 2.280 197060 31.174 1.440 4.628 126563 31.174 1.689 4.637 682171 34.301 4.637 1.688 566039 34.270 1.436 1.688 838691 34.383 0.582 1.685 118447 34.321 0.804 1.687 703220 34.306 1.307 1.687 705496 53.377 0.776 1.681 551131 53.381 0.576 1.680 309930 53.324 4.054 1.688 140292 53.377 4.641 1.677 131268 53.392 2.937 1.676 1634962 41.721 0.781 2.951 577475 41.729 0.572 2.946 343432 41.747 1.306 2.945 781672 41.744 1.686 2.947 2176698 48.616 4.642 1.297 203623 48.628 4.639 1.451 265199 48.675 1.295 1.295 8318430 48.636 1.299 1.447 2668881 48.637 1.449 1.298 2318157 48.666 1.449 1.448 7446738 48.688 2.960 1.297 156566 48.605 2.956 1.449 179960 48.596 0.575 1.298 232795 48.702 0.554 1.445 142699 48.639 1.686 1.296 1162588 48.641 1.684 1.448 1405101 48.676 0.795 1.290 203186 48.631 0.793 1.452 202253 50.892 4.202 4.206 6020384 50.886 1.107 4.206 1216882 50.868 -0.563 4.206 473316 50.869 5.417 4.206 598111 50.876 6.973 4.207 235642 50.989 0.605 4.209 132474 50.781 0.831 4.211 117876 45.061 4.200 1.111 1005095 45.073 1.505 1.110 372350 45.059 6.970 1.112 556737 45.061 6.772 1.111 464532 45.056 -0.568 1.111 992900 45.042 0.216 1.116 199981 45.069 7.207 1.110 312893 52.808 4.624 4.618 5056674 52.786 1.876 4.617 410712 52.823 0.838 4.618 791290 52.800 0.577 4.618 1122734 52.829 1.523 4.617 282184 52.847 1.670 4.619 296893 44.050 4.631 1.880 237341 44.121 4.615 0.843 326094 44.119 0.834 1.878 1543937 44.159 0.577 1.871 202112 44.189 0.576 0.840 303631 44.119 1.535 1.878 273599 44.113 1.525 0.840 246160 44.095 4.498 1.878 153609 44.136 4.504 0.847 251695 44.105 1.875 1.878 1868568 44.113 1.875 0.842 1432656 49.979 4.477 0.754 126746 50.065 3.336 0.764 125180 45.931 1.300 0.576 274216 45.920 1.686 0.576 626287 45.924 2.964 0.579 210006 45.923 1.883 0.576 726663 45.923 0.774 0.577 2302322 45.931 0.576 0.576 33016566 45.908 1.527 0.576 1330411 45.930 4.659 0.576 1930905 45.874 2.069 0.576 176481 45.901 2.328 0.577 385927 45.881 3.898 0.574 179673 50.806 1.284 1.552 208472 50.732 4.620 1.531 115691 50.677 1.874 1.531 277666 32.549 2.836 4.381 486916 32.549 3.301 4.378 267177 32.549 3.407 4.381 523104 32.548 0.593 4.382 465139 32.558 0.892 4.380 554028 32.548 1.253 4.378 103365 31.455 4.371 2.842 323541 31.442 4.373 3.279 336886 31.447 3.278 2.842 2008790 31.443 0.575 2.843 118479 31.517 0.584 3.288 73618 31.483 0.893 2.843 503164 31.437 0.893 3.277 371576 31.428 1.675 2.839 104929 31.487 1.667 3.269 97154 31.445 2.837 3.275 2196760 39.794 4.241 4.243 7141226 39.801 2.358 4.244 746227 39.811 3.401 4.244 134788 39.803 1.635 4.247 258746 39.800 2.078 4.241 170489 39.803 1.875 4.243 734267 31.927 4.242 2.359 383606 31.986 3.400 1.894 110009 31.917 3.407 2.365 91683 32.202 4.408 1.891 404958 32.298 4.237 1.905 687624 32.003 1.887 2.351 1697921 50.945 3.402 3.405 1206947 50.981 3.407 4.325 984561 50.971 0.632 4.325 169541 50.957 0.796 3.404 313659 50.965 0.796 4.328 298316 50.977 4.337 3.405 1225252 50.991 4.340 4.325 1312372 50.966 0.616 3.402 124549 50.976 2.858 3.404 290356 51.028 2.862 4.326 167229 50.957 1.800 3.407 448622 50.983 1.803 4.325 472115 50.775 2.353 1.793 320544 50.805 3.402 1.791 330938 50.797 4.331 1.790 448499 50.892 0.639 1.793 102588 50.820 0.796 1.788 244339 50.814 1.796 1.793 3040377 32.323 1.102 4.530 480359 32.328 1.597 4.530 710630 40.762 4.533 1.093 276504 40.744 4.528 1.591 380615 40.743 1.099 1.096 2230238 40.739 1.098 1.592 1949994 40.742 1.596 1.096 1827817 40.855 1.598 1.595 2078885 34.246 2.965 4.909 671335 34.234 3.296 4.909 724787 34.188 7.676 4.906 154348 32.727 4.910 2.963 397549 32.728 4.907 3.294 410549 32.749 3.291 2.964 1013444 32.746 3.281 3.281 1991524 32.751 7.679 2.966 392208 32.757 7.681 3.295 316615 33.573 1.875 4.492 347030 33.562 0.834 4.491 752686 33.570 0.575 4.489 143798 33.521 6.916 4.490 67673 33.565 3.339 4.493 1062224 50.573 0.779 3.345 235033 50.587 4.493 3.346 619825 50.637 6.925 3.336 107977 50.592 3.343 3.345 6524973 53.542 2.071 4.826 611294 53.517 2.252 4.821 346370 53.540 3.909 4.825 1142200 52.424 4.826 2.059 215335 52.387 4.821 2.125 236371 52.428 1.828 2.123 306470 52.472 3.819 2.054 162056 52.417 3.835 2.109 143629 52.513 7.238 2.068 119516 52.453 7.257 2.127 80719 33.771 3.292 2.259 150338 33.689 4.822 2.254 269932 33.708 2.094 1.827 933187 33.706 1.829 2.255 3090434 33.706 2.249 1.825 2725921 33.711 7.259 1.821 106225 33.736 1.824 1.824 11507688 39.926 1.671 4.690 166645 39.909 0.833 4.694 191450 39.938 0.577 4.691 1358783 39.920 2.071 4.690 412259 39.935 1.884 4.690 322404 39.931 2.335 4.691 891549 32.150 0.597 2.067 140371 32.193 0.570 2.339 220691 32.126 4.688 2.076 377410 32.148 4.687 2.342 645352 32.145 2.067 2.342 2447867 32.192 3.902 2.341 117127 32.257 3.898 2.059 451304 50.940 0.574 3.815 78399 50.932 0.580 3.915 133897 50.938 4.819 3.810 609029 50.943 4.822 3.909 788337 51.014 2.216 3.933 82152 50.851 3.803 3.799 6130489 50.945 1.892 3.813 328151 50.947 1.895 3.905 355900 50.950 2.069 3.814 501031 50.960 2.066 3.903 385198 50.937 2.311 3.814 392956 50.922 2.307 3.909 366656 52.139 1.702 2.303 164336 52.117 0.574 1.887 308806 52.104 0.574 2.314 219017 52.103 4.823 2.304 118394 52.149 4.683 1.892 237569 52.143 4.688 2.311 188339 52.187 2.073 1.890 699964 52.143 2.066 2.310 798347 52.153 3.844 1.891 335794 52.157 3.831 2.311 475264 52.155 3.900 1.892 345544 52.145 3.909 2.313 383069 52.158 1.889 1.889 3026590 52.142 1.888 2.310 2129849 52.146 2.318 1.889 2300951 52.142 2.317 2.311 4433606 54.510 1.525 4.550 696829 54.488 0.579 4.549 190179 54.511 0.894 4.550 1121377 54.508 1.650 4.549 500769 54.649 4.816 4.550 320990 54.475 2.779 4.557 130456 43.386 4.557 1.496 196309 43.387 4.553 1.545 221807 43.481 1.541 1.555 1603381 43.401 0.596 1.483 272175 43.390 0.592 1.542 263431 43.416 0.898 1.484 225460 43.374 0.887 1.526 185491 43.323 6.998 1.479 74776 52.545 1.106 0.586 715776 52.559 4.373 0.585 352858 52.499 4.557 0.585 134169 52.539 1.518 0.585 578401 52.549 0.588 0.586 14082078 52.546 0.893 0.585 769856 52.418 1.651 0.586 348046 52.514 5.143 0.576 73151 52.551 2.773 0.586 537692 52.564 3.078 0.584 233950 52.587 6.982 0.584 186683 52.548 -0.564 0.588 719276 52.556 0.217 0.586 689908 52.568 1.857 0.586 232480 49.487 4.372 0.896 656089 49.456 3.275 0.895 328278 49.474 4.551 0.895 1046820 49.485 0.588 0.896 1281584 49.355 0.892 0.893 20479586 49.488 1.672 0.896 876744 49.369 3.078 0.895 106105 49.476 4.813 0.896 839268 49.465 2.817 0.896 1347897 49.410 1.260 0.895 397963 49.462 1.854 0.896 511323 51.750 4.563 1.673 221684 52.064 0.580 1.671 265250 51.778 0.894 1.673 387496 31.650 2.218 4.542 816979 31.666 2.370 4.541 786510 31.657 2.509 4.542 441841 53.696 4.544 2.390 413763 53.699 2.217 2.388 2067922 53.699 2.381 2.389 3632197 53.714 2.502 2.203 629400 53.714 2.502 2.389 852181 53.639 0.669 2.214 152906 53.714 0.667 2.383 172400 53.701 2.983 2.206 199970 53.679 2.976 2.387 231840 53.735 2.216 2.204 6449876 33.923 4.547 2.519 387724 33.930 2.321 2.518 3862342 33.932 2.516 2.311 3266268 33.940 2.517 2.519 10870740 33.925 0.668 2.308 219841 33.987 0.654 2.521 180350 33.861 1.393 2.303 95212 33.918 1.418 2.522 68009 33.967 2.974 2.310 79895 33.890 2.963 2.520 98546 33.741 6.988 2.290 160004 33.981 2.044 2.512 160416 33.946 4.548 2.314 296945 33.737 7.281 2.284 178169 38.234 4.316 4.315 9139362 38.247 2.020 4.314 433919 38.230 0.707 4.314 1101292 38.236 1.055 4.315 1017659 38.213 1.421 4.315 115002 38.235 5.145 4.313 567743 38.231 6.976 4.313 182716 32.136 0.711 2.022 1154097 32.147 1.056 2.023 1095367 45.598 4.314 0.709 957060 45.595 2.021 0.710 1594080 45.594 0.709 0.710 45893548 45.599 1.057 0.710 1985111 45.561 1.378 0.710 383333 45.601 1.688 0.711 179170 45.602 2.926 0.711 268046 45.616 1.838 0.710 168998 45.609 6.980 0.708 117096 45.590 6.768 0.710 305927 44.889 0.586 1.057 621626 44.863 4.543 1.054 167258 44.864 4.315 1.055 1053885 44.871 2.022 1.054 1788433 44.869 0.710 1.054 2457492 44.863 5.136 1.055 146208 44.882 6.977 1.056 632398 44.880 6.771 1.055 845259 44.861 0.228 1.055 173917 53.626 1.361 4.560 1024833 53.618 0.672 4.558 1190708 42.527 4.555 1.352 335512 42.549 4.554 1.613 270185 42.545 2.391 1.354 127910 42.565 2.396 1.612 264593 42.543 2.503 1.613 143588 42.569 0.660 1.354 468225 42.561 0.659 1.613 611313 49.467 4.554 0.652 110737 49.496 1.350 0.649 429521 49.482 1.620 0.649 506961 49.518 2.391 0.650 243007 49.519 2.509 0.650 173727 49.490 2.694 0.649 339214 49.488 2.981 0.648 234104 49.478 6.997 0.652 101168 49.509 0.976 0.650 357626 49.508 0.653 0.650 42555980 47.442 4.557 0.675 1228064 47.423 1.614 0.677 244428 47.436 1.396 0.674 1200240 47.445 2.344 0.675 279002 50.982 4.560 1.414 237395 50.951 1.602 1.415 634582 50.907 2.365 1.414 116732 50.903 2.697 1.414 99916 51.017 0.678 1.413 354864 31.751 1.327 4.884 558204 31.771 4.623 4.884 813991 31.746 0.578 4.881 262319 31.799 0.750 4.882 269710 31.742 1.705 4.883 621416 31.763 1.823 4.884 757093 33.658 4.879 1.706 270162 33.710 4.867 1.825 485984 33.722 1.816 1.710 3940390 33.721 1.369 1.709 425077 33.729 1.348 1.823 443084 33.803 1.707 1.708 6267382 33.717 2.960 1.830 77767 53.451 4.881 1.674 126355 53.391 1.348 1.677 1530742 49.448 4.880 1.308 257384 49.483 4.879 1.385 238671 49.434 1.338 1.307 7354046 49.466 1.366 1.386 7861704 49.437 2.931 1.308 271963 49.471 2.932 1.384 259670 49.382 4.592 1.386 98775 49.418 0.748 1.305 308901 49.453 0.752 1.387 262219 49.472 1.688 1.306 779953 49.461 1.687 1.386 798686 49.461 1.821 1.306 344740 49.455 1.821 1.383 329199 52.068 1.364 4.568 1514556 44.838 4.563 1.361 1505420 45.604 3.734 4.116 6218152 45.602 4.113 3.734 5713701 51.182 1.422 4.666 1818126 51.139 0.770 4.665 145333 45.346 4.661 1.422 1825276 37.495 4.880 4.622 1006292 37.483 1.345 4.622 235708 37.509 1.836 4.621 619251 37.489 0.573 4.621 937430 37.503 0.764 4.621 739290 34.167 4.627 1.839 431806 34.156 0.575 1.838 993958 34.173 0.764 1.838 962841 45.306 4.882 0.572 230963 45.322 1.348 0.574 216958 45.320 4.617 0.573 763358 45.321 1.835 0.573 1467697 45.322 0.572 0.573 64339772 45.323 6.772 0.573 328382 45.321 0.732 0.574 2910865 45.109 4.882 0.769 308597 45.112 1.348 0.767 355496 45.091 4.627 0.768 818772 45.083 1.836 0.768 1547135 45.068 0.601 0.768 2552848 45.082 0.770 0.768 60401568 52.822 2.399 5.084 585887 52.817 2.520 5.083 1001252 52.797 6.985 5.087 172358 52.823 6.754 5.085 75960 52.754 1.006 5.085 174609 45.579 1.356 2.529 81069 45.501 1.618 2.396 335899 45.510 1.616 2.526 278814 45.511 0.650 2.394 179389 45.488 0.646 2.525 204921 45.498 5.088 2.394 364514 45.474 5.082 2.525 465382 45.495 2.393 2.394 3235810 45.492 2.394 2.524 2645149 45.495 2.517 2.395 2587213 45.488 2.521 2.525 3525233 45.489 0.997 2.396 229162 45.459 1.000 2.523 383184 45.501 1.371 2.393 130816 33.372 1.564 5.150 116765 33.308 0.612 5.146 157743 33.352 4.316 5.146 583189 33.341 1.057 5.147 140263 33.374 5.144 5.147 8220660 33.358 2.758 5.147 616798 33.412 3.072 5.148 439996 33.370 6.980 5.147 436204 33.348 0.693 5.143 157885 41.254 1.504 3.070 75625 41.221 1.559 2.772 124700 41.168 0.587 2.762 315495 41.169 0.590 3.076 233850 41.219 0.909 2.757 142177 41.199 5.150 2.765 238822 41.129 5.143 3.074 212337 41.155 6.974 2.737 371849 41.151 6.975 3.079 288686 41.145 1.843 2.749 91402 41.164 1.854 3.067 141156 41.182 0.229 2.766 88489 41.186 0.209 3.071 161665 32.523 5.090 5.090 6574293 32.505 2.697 5.089 713049 32.516 2.979 5.089 436006 32.520 6.994 5.090 382616 32.503 4.734 5.089 1166039 32.511 0.986 5.088 226468 32.476 1.722 5.090 148615 32.542 1.865 5.089 108038 32.498 0.643 5.089 139906 44.390 2.213 2.694 143177 44.374 2.210 2.980 151537 44.354 2.372 2.696 128421 44.420 2.381 2.984 212059 44.385 5.092 2.698 378027 44.402 5.098 2.982 305628 44.422 2.695 2.697 2653319 44.405 2.695 2.981 1846814 44.403 2.980 2.697 1853071 44.371 2.979 2.979 2469414 44.411 6.989 2.694 374518 44.391 6.991 2.979 360083 44.420 4.722 2.696 78204 44.443 0.999 2.695 154099 44.405 0.659 2.697 356258 44.421 0.656 2.988 281057 34.202 4.539 4.812 587702 34.203 0.896 4.811 1018564 34.202 2.804 4.811 814642 53.671 0.891 2.792 331139 53.658 4.813 2.812 271467 53.620 3.101 2.791 266697 53.673 3.417 2.793 102739 53.582 3.425 2.834 97917 53.700 3.044 2.833 187121 53.667 0.642 2.790 134105 53.722 0.642 2.832 148839 32.736 6.973 4.204 94624 32.729 7.296 4.196 494182 32.686 1.889 4.195 618388 32.705 2.286 4.194 379450 32.696 2.025 4.195 993376 52.919 4.193 1.893 331661 52.916 4.196 2.026 332457 52.913 1.888 1.891 3019225 52.933 1.889 2.027 2475898 52.926 2.287 1.891 386965 52.958 2.287 2.026 606694 52.923 2.024 1.891 3228617 52.930 2.024 2.027 4199327 33.700 7.000 2.027 119457 33.709 7.264 2.034 95639 33.733 4.195 2.030 239055 33.731 4.200 2.286 225522 33.707 2.288 2.029 3347419 33.719 2.028 2.287 4253348 31.252 3.091 4.600 701998 31.330 3.316 4.594 615502 54.417 4.600 3.094 187205 54.445 4.596 3.312 285936 54.412 3.093 3.313 1286076 54.376 3.319 3.091 1136717 54.396 3.317 3.315 1442221 54.394 7.243 3.090 116020 54.353 7.252 3.317 84521 45.053 3.485 3.488 2453426 45.053 3.487 4.179 2080909 45.056 4.179 3.488 2212872 35.804 4.681 4.678 4642445 35.801 3.102 4.678 391304 35.829 3.426 4.677 696712 35.818 7.182 4.679 417712 54.090 2.821 3.105 362553 54.074 2.822 3.423 308888 54.113 4.675 3.099 151737 54.060 4.681 3.427 267164 54.095 3.101 3.426 1114387 54.104 3.421 3.105 958500 54.089 3.426 3.428 1323626 54.058 0.645 3.106 198720 54.133 0.650 3.426 222406 45.663 7.298 3.025 222327 45.626 7.307 3.781 240861 45.658 3.022 3.779 2519978 45.658 3.779 3.025 2441128 31.770 5.090 4.738 1053290 31.736 2.704 4.743 117099 31.780 1.717 4.738 1070197 31.775 0.991 4.738 845199 42.400 4.737 1.718 615230 42.414 6.988 1.715 114816 42.406 1.003 1.719 1066853 48.964 1.013 1.011 73230376 48.959 1.724 1.011 1726770 48.979 2.392 1.008 121557 48.829 2.526 0.994 295749 48.686 5.096 0.987 340428 48.668 2.703 0.985 270493 48.665 6.990 0.985 403462 49.008 7.315 1.013 89373 48.663 4.737 0.986 776632 51.379 6.990 1.724 152317 51.362 4.738 1.723 223667 51.231 1.710 1.719 24379066 51.412 0.996 1.728 968104 33.145 1.265 4.296 154689 33.202 0.789 4.297 1399288 33.190 1.704 4.292 126372 33.142 1.860 4.294 559277 37.918 2.772 1.855 118358 37.906 3.074 1.854 177487 37.945 4.305 1.855 156296 37.883 1.262 1.855 342928 37.893 0.796 1.854 698197 37.941 0.228 1.858 189462 37.903 1.855 1.854 3331816 37.883 0.615 1.852 301676 33.778 3.099 0.639 386196 33.779 4.300 0.641 1254456 33.783 0.644 0.641 24342012 33.780 1.261 0.640 825395 33.776 2.815 0.640 398216 33.781 3.417 0.640 557620 33.771 1.855 0.641 1321835 51.205 0.865 1.262 305536 51.207 0.871 1.859 306646 51.158 0.642 1.261 441126 51.197 0.637 1.860 441823 51.205 1.264 1.859 1051471 51.206 0.810 1.260 302126 51.207 1.859 1.261 1418404 51.234 4.330 1.842 104095 42.172 3.402 0.795 421203 42.196 1.262 0.795 438008 42.168 1.703 0.796 593200 42.158 2.853 0.795 383202 42.174 0.215 0.794 979298 42.175 4.309 0.794 1115482 42.172 1.850 0.794 1584595 34.588 3.865 4.453 2157376 34.401 4.099 4.445 1234820 34.460 1.690 4.446 111302 39.676 4.449 3.845 1929460 39.579 4.443 4.098 1054632 39.596 3.843 4.098 5839638 39.582 4.098 3.843 5547288 39.575 4.097 4.097 16185354 39.657 1.889 3.843 201602 39.587 1.926 4.102 97413 39.541 3.207 3.844 159926 39.528 1.538 3.844 263728 39.594 1.526 4.093 181121 39.590 1.658 3.842 402795 39.582 1.670 4.102 189152 36.421 6.973 3.888 144522 36.466 6.764 3.893 92282 36.403 2.050 3.890 512638 36.412 2.220 3.889 624152 36.397 1.689 3.889 465638 36.434 1.347 3.886 220049 36.431 -0.546 3.899 89872 36.402 0.213 3.889 939401 32.236 6.767 2.221 118764 32.243 3.894 2.057 453625 32.263 3.889 2.220 447017 32.297 1.698 2.219 567143 53.469 6.987 1.947 82101 53.540 6.774 1.960 109819 53.470 2.205 1.958 323088 53.461 3.171 1.960 604228 53.458 1.702 1.961 1414249 42.129 1.963 3.142 783359 42.149 1.962 3.199 717149 42.144 1.700 3.145 423133 42.146 1.695 3.193 407019 49.522 6.966 1.674 112734 49.447 6.770 1.688 166205 49.453 3.896 1.698 307415 49.473 2.219 1.698 344416 49.457 3.174 1.698 260235 49.469 1.961 1.698 1044972 49.461 1.695 1.699 13290984 33.837 1.509 4.223 492628 33.835 1.884 4.223 1460177 33.844 1.711 4.223 263538 32.366 4.219 1.851 446782 32.334 1.511 1.851 754187 32.360 1.520 1.917 890525 53.070 4.226 1.743 138703 53.066 1.742 1.741 51501416 53.048 3.043 1.740 1009566 53.050 1.514 1.742 2586349 41.866 1.871 3.044 172588 41.879 1.746 3.042 1738353 41.880 1.506 3.041 715965 49.073 4.225 1.500 337472 49.069 1.872 1.502 1001814 49.074 1.741 1.501 1833753 49.088 3.047 1.500 259505 49.070 1.506 1.503 24683960 32.398 0.796 1.688 229957 32.440 0.795 1.945 243148 32.415 4.341 1.686 257823 32.424 4.337 1.942 429753 32.354 1.684 1.687 2110116 32.410 1.940 1.688 1426408 32.397 3.205 1.689 191964 32.418 3.203 1.940 160804 32.418 3.341 1.683 116178 32.409 3.362 1.953 108465 32.412 1.542 1.681 562093 43.486 3.840 3.197 128991 43.448 4.334 3.346 113079 43.455 1.942 3.347 269808 43.496 1.520 3.210 453876 43.496 1.528 3.349 595727 43.447 1.653 3.347 1024114 53.030 3.840 1.638 110944 53.036 4.350 1.534 301715 53.060 4.340 1.641 281648 53.031 3.204 1.531 272959 53.058 3.208 1.641 268047 53.074 3.351 1.535 307767 53.057 3.346 1.645 401293 53.025 1.548 1.534 2932420 53.050 1.640 1.533 2522298 53.047 1.932 1.528 399784 53.043 1.928 1.644 376924 41.099 3.408 2.857 377337 41.092 4.337 2.851 252975 41.109 0.580 2.847 210173 41.094 0.797 2.856 426980 41.079 1.347 2.853 245740 41.096 -0.566 2.852 612273 41.080 0.216 2.854 717527 41.171 1.635 2.848 82031 41.109 1.810 2.857 155999 32.224 3.899 1.360 78109 32.272 2.857 1.344 153498 32.259 1.341 1.341 4042523 32.249 -0.567 1.341 723987 32.262 0.212 1.343 727540 32.256 7.197 1.351 126930 32.189 6.987 1.352 90181 45.091 4.202 -0.568 257561 45.082 1.112 -0.570 867161 45.110 0.586 -0.569 595096 45.068 2.855 -0.570 360949 45.097 1.341 -0.569 761340 45.087 -0.568 -0.570 18860724 45.071 0.211 -0.570 1115072 45.062 7.195 -0.573 171769 45.089 6.963 -0.570 301031 47.069 1.106 0.211 169483 47.126 0.589 0.213 644797 47.112 3.081 0.216 151327 47.118 6.970 0.213 307158 47.071 1.853 0.209 277071 47.100 0.794 0.214 710483 47.098 3.887 0.212 643580 47.102 2.842 0.211 544991 47.105 1.342 0.212 1058358 47.104 -0.567 0.211 1417605 47.107 0.212 0.212 20479000 47.121 1.694 0.215 168286 47.091 6.787 0.214 75604 54.494 1.625 4.384 716500 54.526 1.833 4.384 671234 54.517 2.016 4.382 387756 54.567 0.832 4.387 86363 54.644 0.829 1.624 193637 54.632 4.380 1.626 487960 54.597 4.377 1.832 430691 54.680 1.620 1.622 4276198 54.622 1.626 1.830 2120926 54.694 2.079 1.621 405023 54.629 1.835 1.624 2399038 54.631 0.836 1.825 281634 36.076 4.376 1.986 295675 35.850 4.383 2.055 363323 36.043 1.633 1.986 490857 36.050 1.629 2.086 409063 36.032 1.839 1.987 991600 36.054 1.843 2.088 799899 36.025 0.837 1.990 310889 36.062 0.842 2.086 270260 33.740 4.205 5.422 577353 33.697 1.109 5.426 133095 33.787 -0.546 5.413 64462 33.736 5.419 5.423 4792824 33.728 2.713 5.424 232724 33.747 2.892 5.423 349053 33.756 6.965 5.423 326338 33.754 0.809 5.411 139103 41.070 2.089 2.722 389938 41.072 2.109 2.889 138127 41.164 1.571 2.717 99005 41.108 1.574 2.898 90450 41.158 5.416 2.706 178575 41.138 5.418 2.896 207224 41.130 6.975 2.720 376063 41.155 6.972 2.897 257148 34.974 1.581 4.710 173862 34.934 2.267 4.718 1047712 34.935 0.845 4.716 1375072 34.927 1.731 4.717 110025 35.777 4.715 2.266 645336 35.847 2.267 2.266 7020551 35.820 0.830 2.267 1658409 45.710 1.676 0.857 133526 45.587 1.841 0.879 108635 45.734 1.546 0.860 213153 45.706 4.381 0.856 121095 45.739 1.994 0.856 184981 45.735 4.712 0.860 870900 45.734 2.265 0.858 1352582 42.977 1.292 0.804 231737 42.998 1.691 0.804 1410756 42.940 2.959 0.801 155826 42.985 1.525 0.803 540016 42.986 4.704 0.802 285668 42.989 2.266 0.803 1380923 43.035 4.062 0.810 68971 43.011 0.802 0.804 37510704 31.727 1.674 4.473 235567 31.716 0.827 4.473 217100 41.686 0.964 1.661 611872 41.713 0.824 1.666 622620 49.701 3.961 0.963 199877 49.632 4.138 0.971 63860 49.754 2.124 0.967 192665 49.747 0.968 0.965 46631508 49.714 1.673 0.965 1051573 51.647 4.145 1.725 156154 51.222 0.827 1.744 714105 53.781 1.689 4.059 748014 53.796 2.955 4.058 240724 53.771 0.817 4.061 202688 53.769 1.294 4.060 1781450 44.495 2.016 1.291 356268 44.449 2.223 1.296 169142 44.501 1.684 1.295 602631 44.472 4.059 1.295 1421545 d2o_c13_noesy_arom.list w1 w2 w3 Data Height 119.675 3.069 6.941 142880 132.019 7.305 6.989 356249 129.075 1.147 6.963 91868 131.872 2.059 6.984 99846 131.529 0.664 7.295 67337 120.676 0.876 6.882 183979 117.562 6.976 6.767 2592443 131.566 2.701 6.987 462329 131.532 4.734 6.990 212074 137.446 3.292 7.675 479896 131.922 2.901 6.977 258027 120.687 4.832 6.878 86897 120.660 2.670 6.878 66699 120.553 3.913 6.884 112565 120.676 0.876 6.882 183979 123.762 7.255 7.250 4460328 123.679 3.384 7.252 113956 131.572 1.661 7.182 117713 131.656 5.219 7.182 144704 131.636 3.026 7.185 300980 131.622 6.973 7.206 1176357 129.168 6.961 6.958 3196244 129.178 7.206 6.959 804832 119.704 4.485 6.931 114544 119.713 6.940 6.936 25309256 119.585 3.340 6.930 259914 133.318 1.522 6.973 207272 133.237 0.583 6.977 324400 133.177 4.312 6.972 100428 133.293 5.133 6.975 407622 133.232 2.761 6.976 452131 133.229 3.079 6.976 441548 133.269 6.978 6.976 8128190 133.239 6.771 6.976 2655838 133.194 3.894 6.978 98511 133.322 1.683 6.979 123766 133.194 0.214 6.978 221068 133.280 1.070 6.976 482995 117.583 0.700 6.763 248098 117.588 5.138 6.770 106780 117.628 3.095 6.769 112649 117.562 6.976 6.767 2592443 117.575 6.771 6.767 11935620 117.510 3.888 6.762 82452 117.678 2.217 6.763 83374 117.585 1.997 6.763 141776 117.564 1.688 6.767 141029 117.603 0.208 6.768 133213 117.607 7.189 6.769 184675 117.600 1.073 6.768 631708 117.625 0.582 6.769 254294 129.918 7.299 7.296 5690364 131.481 2.281 6.987 150736 131.520 5.095 6.990 297224 131.566 2.701 6.987 462329 131.548 2.985 6.989 499837 131.552 6.990 6.987 8626838 131.538 7.298 6.988 3735007 131.610 4.192 6.985 175258 131.546 2.030 6.987 111944 131.532 4.734 6.990 212074 131.556 1.720 6.987 277378 131.547 0.671 6.983 134808 131.543 0.989 6.984 217725 131.583 5.088 7.299 106056 131.542 2.688 7.297 158507 131.546 6.992 7.297 3906400 131.576 4.195 7.296 267581 131.532 2.290 7.299 136951 131.540 1.731 7.296 156671 131.567 7.298 7.296 8330254 131.616 2.014 7.296 88058 131.564 3.006 7.296 279362 131.546 1.001 7.297 120448 121.098 2.098 7.246 305832 121.052 3.084 7.245 106068 121.329 3.343 7.256 70475 121.091 7.247 7.246 3902630 117.889 4.678 7.181 424517 117.945 3.107 7.184 107833 117.828 3.425 7.183 165426 117.872 7.184 7.182 4456732 137.440 4.911 7.676 191507 137.434 2.964 7.676 903296 137.446 3.292 7.675 479896 137.434 7.679 7.676 3754449 128.997 1.341 6.951 83544 129.090 -0.573 6.960 81376 132.043 5.412 6.975 204167 131.976 2.693 6.984 284296 131.922 2.901 6.977 258027 131.464 1.104 7.211 204713 131.458 1.350 7.206 135458 131.496 -0.533 7.207 53762 4d_ccnoesy.list w1 w2 w3 w4 Data Height 23.715 23.705 0.818 2.841 -55549 34.070 21.781 1.557 4.363 98437 34.070 23.670 0.821 4.363 -81431 14.453 34.070 1.774 4.860 59234 14.521 24.077 0.800 4.346 99641 14.612 21.093 1.647 4.346 -84191 15.199 15.202 4.530 4.305 982468 17.912 16.945 -0.143 5.016 22965 29.462 29.473 1.658 2.268 -186956 25.940 26.854 1.565 0.745 174530 31.900 31.844 2.636 2.632 1239632 26.883 34.070 4.472 0.645 -23272 14.036 15.475 2.286 0.828 -29052 33.593 14.746 0.167 4.478 -23735 27.393 30.876 1.841 1.688 341506 27.344 14.669 4.372 1.711 41539 21.172 14.643 4.357 1.646 -65495 21.122 21.091 2.966 -0.589 -31138 32.784 14.933 2.093 1.980 -31126 14.036 33.470 5.138 1.652 35466 16.810 22.977 3.884 4.518 34254 34.070 34.070 4.471 4.465 1699896 22.402 17.296 4.438 3.884 276416 34.070 33.374 2.271 5.025 -22091 25.801 25.799 -0.054 6.939 426203 32.732 32.723 3.219 2.935 130703 25.114 17.961 0.811 0.969 21240 22.405 20.536 2.912 0.569 -26825 26.726 19.004 0.794 0.657 17543 26.791 23.591 1.522 0.642 -48537 19.437 15.195 4.477 0.817 13620 25.643 20.416 3.012 0.871 -21882 25.224 25.584 0.631 2.499 -29434 16.642 21.966 0.845 4.509 26250 23.790 31.007 3.960 0.736 -27036 18.598 14.845 4.343 0.821 27806 23.677 32.108 2.399 0.832 19813 14.036 32.421 2.665 4.813 44386 29.771 29.762 5.175 5.178 718628 34.070 24.731 1.431 1.675 149684 34.070 19.034 0.786 1.666 77336 32.712 32.762 2.940 3.260 106924 21.201 32.270 5.090 0.557 -28311 32.186 21.177 0.570 5.066 -27980 24.953 32.235 5.072 0.989 -24506 21.319 21.380 0.556 -0.593 75131 32.931 32.927 4.034 4.034 3279814 21.412 18.196 0.781 -0.586 22541 18.438 21.253 6.417 0.778 16861 21.240 21.216 2.930 0.750 -49935 21.198 29.576 1.670 0.749 43245 21.741 24.905 1.295 0.558 48848 22.053 29.642 -0.041 0.551 -21805 21.408 30.185 -0.041 0.559 -22206 21.381 14.036 -0.257 0.560 -42270 21.207 21.232 6.415 0.569 29414 23.154 20.422 3.046 0.204 -23313 23.033 20.568 2.708 0.199 -20484 30.034 29.515 1.942 6.957 -17890 14.036 25.405 1.681 6.743 -27021 28.355 33.649 2.006 6.972 -14735 28.297 33.571 2.272 6.973 -17714 16.249 21.824 0.575 5.124 15076 16.122 28.472 0.574 5.124 26125 28.654 15.806 5.148 0.586 19966 24.633 32.104 5.087 0.975 -24561 14.036 32.924 2.036 4.414 111371 14.036 32.062 2.415 4.411 54922 14.832 30.759 1.897 4.260 182039 14.812 14.809 4.276 4.267 4051324 14.879 16.035 2.183 4.271 -102363 16.096 14.833 4.273 2.246 -72527 15.993 15.979 2.237 2.237 3884500 32.992 24.243 1.281 4.573 53821 32.992 24.064 1.560 4.572 34969 32.720 25.543 0.744 4.583 -37159 33.026 23.389 0.843 4.570 -131257 32.895 27.014 1.584 4.573 -41688 25.879 24.136 1.291 0.750 -63733 25.794 24.171 1.551 0.747 -86309 25.853 17.414 1.561 0.749 68049 25.899 25.893 0.746 0.747 8587820 23.406 32.997 4.568 0.842 -156578 23.387 24.390 1.293 0.840 -81470 23.331 24.307 1.540 0.844 -44870 23.481 26.962 1.617 0.837 122912 27.032 32.828 4.588 1.588 -24206 27.031 24.198 1.281 1.604 -49504 26.883 24.185 1.559 1.604 -61487 26.986 25.808 0.748 1.612 97376 26.920 23.565 0.832 1.612 104397 14.036 32.421 2.665 4.813 44386 32.319 17.460 4.135 2.634 34864 17.308 17.279 -0.137 6.857 1396844 17.401 22.429 3.863 6.853 -30390 17.349 22.339 0.840 6.858 -49186 15.845 31.852 3.149 4.286 38334 15.881 30.824 3.950 4.289 -75938 15.932 30.872 4.108 4.284 -73574 15.986 26.790 0.671 4.284 45345 15.979 23.794 0.730 4.278 51392 31.929 23.712 0.732 3.096 66723 23.003 23.007 4.444 4.445 1720550 22.980 32.355 2.053 4.449 78102 22.978 32.338 2.387 4.447 142850 22.989 27.484 2.120 4.447 54482 32.078 32.082 2.412 2.397 3236435 32.368 27.471 2.116 2.387 178102 30.921 15.901 4.290 3.937 -84146 30.813 32.304 2.409 3.946 -29083 30.858 30.842 3.936 3.930 459033 30.881 27.497 2.124 3.941 -75885 30.581 26.819 0.626 3.940 -30184 30.843 14.036 0.809 3.951 -27164 31.156 25.787 0.940 3.942 -21652 27.508 23.056 4.447 2.125 57182 27.446 32.356 2.066 2.117 163243 27.463 32.342 2.381 2.114 161491 27.454 30.854 3.940 2.119 -77767 27.483 30.871 4.117 2.118 -87969 27.455 27.460 2.114 2.115 1894781 27.445 25.737 0.930 2.132 28268 16.002 29.784 2.239 4.480 98758 16.026 33.605 2.310 4.480 50076 29.769 29.772 2.223 2.267 563323 29.813 33.571 2.310 2.268 212110 17.836 17.842 5.021 5.022 888347 17.855 32.666 2.549 5.019 66029 17.851 32.754 3.237 5.023 90523 32.694 17.864 5.009 3.232 70646 32.758 32.729 3.248 3.247 315330 17.846 32.514 2.647 4.144 33238 17.325 17.313 4.153 4.151 812997 17.760 26.171 2.333 4.146 78781 17.741 14.036 2.256 4.145 -87273 16.706 16.698 4.494 4.492 5432847 16.659 31.435 3.371 4.514 98106 31.309 16.670 4.508 3.381 79417 31.627 21.630 3.798 3.376 34422 22.382 14.047 4.813 3.904 69888 22.434 22.433 3.882 3.885 18458648 22.583 21.995 0.848 3.889 108238 32.065 22.581 3.888 1.835 67619 32.103 21.311 0.871 1.836 164484 32.183 32.168 1.847 1.840 3742701 22.166 17.358 -0.135 0.847 -29451 22.199 22.635 3.886 0.847 154417 21.794 32.091 1.827 0.851 225002 21.903 21.903 0.846 0.846 19495524 33.595 23.131 1.123 4.473 45319 33.746 23.019 1.485 4.472 46493 33.511 23.727 0.729 4.474 -142755 33.418 26.945 1.524 4.480 -29568 33.591 17.642 4.633 4.462 -28005 22.926 33.589 4.495 1.495 37535 23.174 23.127 1.125 1.501 124329 23.199 26.678 0.641 1.504 -33605 26.782 15.907 4.280 0.645 53713 26.974 30.827 3.930 0.642 -26813 26.741 30.871 4.122 0.646 -19855 26.877 23.740 0.736 0.649 190282 26.741 26.934 1.548 0.646 90126 26.783 22.379 1.240 0.644 95526 26.778 14.036 0.835 0.646 45939 26.917 17.658 1.536 0.640 21072 23.716 15.941 4.284 0.727 66237 23.761 33.505 4.481 0.729 -128836 23.859 23.066 1.122 0.727 -45424 23.690 23.063 1.494 0.727 -29973 23.715 26.656 0.660 0.730 132337 23.732 23.729 0.737 0.731 5016386 23.690 26.915 1.543 0.730 75963 23.720 22.382 1.243 0.730 46736 23.699 17.717 4.632 0.730 89673 23.840 31.653 2.677 0.728 58885 23.961 20.967 1.648 0.723 -19903 23.733 14.036 0.846 0.727 42020 23.729 31.887 3.134 0.729 74931 32.937 21.895 2.677 4.905 119651 21.924 32.871 4.890 2.684 84109 21.815 21.811 2.676 2.676 1712942 30.838 14.036 4.762 2.023 37445 30.585 30.520 2.006 2.015 976502 34.070 32.522 3.116 5.037 -30815 34.070 15.017 4.322 5.047 -23476 29.737 14.447 4.774 5.178 -78627 29.771 29.762 5.175 5.178 718628 29.795 22.440 1.233 5.177 -132256 22.387 26.713 0.642 1.235 83232 22.407 23.848 0.761 1.237 71704 22.453 14.663 4.801 1.247 25592 22.450 29.760 5.175 1.237 -162128 22.442 22.436 1.236 1.237 5629567 22.544 20.824 1.606 1.237 -63820 22.265 14.036 0.834 1.235 32900 22.528 18.565 0.822 1.241 40260 22.454 17.398 1.561 1.239 54372 33.482 33.472 5.157 5.158 459543 33.451 15.910 5.200 5.164 -39955 34.070 33.457 5.135 1.656 -41863 14.036 27.737 1.375 1.678 -71177 17.513 33.491 4.489 4.636 -32804 17.587 23.821 0.728 4.636 61945 17.731 31.463 2.706 4.648 38795 17.843 31.460 3.146 4.647 33827 17.685 17.683 4.682 4.683 1407958 31.559 23.743 0.732 2.679 52333 31.796 23.669 0.724 3.136 51040 31.612 31.598 2.711 3.149 148106 16.567 16.569 4.121 4.121 2257675 16.543 30.324 1.875 4.120 130593 16.507 27.707 1.683 4.123 73053 27.679 16.449 4.110 1.717 37987 27.518 22.663 3.192 1.682 -198191 27.412 27.400 1.699 1.702 4814037 18.510 21.508 3.074 4.335 45936 18.548 21.597 3.824 4.343 38927 21.617 21.619 3.806 3.066 153693 18.579 18.571 4.117 4.118 3838878 18.625 25.968 2.930 4.105 38802 18.589 25.934 3.081 4.117 128524 25.896 18.537 4.120 2.891 44568 25.981 18.566 4.116 3.083 112156 25.969 25.966 2.903 2.904 1620813 25.976 25.975 3.084 3.082 1604675 15.910 15.881 4.273 4.271 2466144 15.772 33.443 5.155 5.213 -45693 15.750 15.750 5.209 5.210 486780 15.756 20.469 3.011 5.210 -71343 15.858 28.221 0.151 5.208 -21819 28.169 34.070 1.642 7.151 -34672 28.160 15.876 5.184 7.157 -34281 28.257 20.426 3.009 7.158 64708 28.147 28.140 0.168 7.161 3256665 28.034 25.869 -0.054 7.176 181800 25.832 28.080 0.183 6.936 137671 26.011 26.034 -0.030 6.963 278010 18.412 18.406 4.264 4.257 1439435 18.374 20.558 1.625 4.269 -20547 18.362 14.036 0.825 4.256 39460 18.259 27.686 1.173 4.258 27017 18.348 27.951 1.381 4.258 31392 18.327 18.532 0.829 4.253 75998 20.679 14.036 0.833 1.609 -45218 21.273 27.561 1.382 1.610 -59320 20.945 18.509 0.830 1.608 -110351 14.036 30.896 3.954 0.831 -37586 14.036 30.835 4.110 0.832 -59825 14.036 27.435 2.121 0.830 38706 14.036 26.805 0.639 0.831 53775 14.036 23.807 0.753 0.829 63902 14.036 22.452 1.253 0.832 35001 14.036 18.210 4.283 0.842 30889 14.036 20.891 1.613 0.833 -58411 14.036 14.036 0.833 0.832 7489104 14.036 27.780 1.169 0.827 105014 14.036 27.761 1.364 0.825 94914 14.036 25.634 0.960 0.830 40551 18.571 26.823 0.632 0.825 25459 18.590 22.456 1.239 0.822 40054 18.511 18.400 4.261 0.824 108239 18.511 20.930 1.605 0.823 -153425 18.478 27.688 1.178 0.823 70788 18.513 27.784 1.375 0.823 65920 18.519 18.521 0.824 0.823 8875639 18.598 20.711 1.650 0.858 -61142 18.521 25.694 0.940 0.821 41459 30.262 14.883 4.281 2.015 69143 30.287 16.003 2.216 2.017 -340945 16.019 30.270 1.984 2.194 -365975 15.795 20.431 1.282 2.221 -28012 14.036 14.036 4.860 4.858 1441710 14.439 17.442 1.543 2.141 -19090 17.403 25.837 0.752 1.563 112045 17.445 22.412 1.239 1.559 62393 17.403 17.389 1.561 1.563 12788212 17.328 32.845 1.999 1.562 56152 17.319 32.903 2.244 1.568 25049 17.469 20.493 2.871 1.563 -37200 17.408 17.435 4.681 1.562 52301 17.343 23.922 0.810 1.564 81121 32.919 17.184 1.538 1.985 24799 32.936 23.598 0.833 1.993 28150 14.036 14.036 1.672 4.611 -99884 14.036 29.554 1.664 4.606 22554 14.036 24.612 1.430 4.609 41226 14.036 29.468 1.662 1.667 -129291 14.036 24.679 1.434 1.674 -156008 14.036 21.864 0.555 1.658 -21104 14.036 19.011 0.784 1.660 -84246 34.070 20.482 1.280 1.669 22690 14.036 14.036 1.667 1.668 1724316 29.573 20.456 1.310 1.661 24588 29.452 21.162 2.918 1.652 -223314 20.881 20.598 1.280 2.930 -50670 21.150 29.456 1.672 2.931 -230321 30.234 30.224 4.181 4.183 1071543 30.223 21.107 1.086 4.185 -171954 30.233 21.141 6.411 4.182 -60123 30.174 16.498 5.388 4.183 -76715 21.122 30.244 4.180 1.092 -211314 21.081 28.644 0.569 1.091 93450 21.118 29.809 -0.045 1.091 -63665 21.168 14.036 -0.248 1.092 -76867 21.126 21.129 6.412 1.092 166036 21.252 22.998 0.213 1.098 21365 21.132 27.919 0.195 1.093 -35385 21.117 21.116 1.091 1.092 5128650 32.232 32.278 4.591 4.590 774330 32.046 23.399 1.862 4.598 21226 31.915 23.302 0.823 4.608 24226 32.153 21.936 0.567 4.593 -129163 32.209 22.497 4.668 4.589 -86195 23.563 16.136 4.478 0.831 -29023 23.662 23.666 0.821 0.818 32572800 26.100 23.512 1.855 0.744 -62420 26.134 21.927 0.560 0.744 217432 26.307 16.159 4.469 0.750 32794 26.103 26.885 3.324 0.747 25051 26.078 21.742 0.842 0.744 135389 26.059 19.141 0.783 0.744 107133 21.810 29.460 1.665 0.561 73432 21.906 21.073 2.926 0.557 -39588 21.934 32.170 4.595 0.559 -169122 22.006 23.453 1.871 0.565 -34389 21.951 23.513 0.835 0.560 -65014 21.923 26.137 0.743 0.560 223189 21.937 26.711 1.510 0.558 109326 21.885 16.141 4.446 0.561 23254 21.943 22.557 4.667 0.560 211246 21.906 32.127 2.042 0.558 36178 22.053 32.200 2.324 0.561 45959 22.009 30.137 3.867 0.563 -23968 21.989 28.214 1.863 0.562 47785 21.841 28.052 2.282 0.563 26462 21.892 19.076 0.789 0.560 87908 21.644 21.628 0.561 0.559 15416826 26.797 26.183 0.724 1.513 97845 26.798 21.924 0.566 1.512 74480 26.880 21.751 0.828 1.512 24550 26.885 19.179 0.783 1.511 51323 15.314 31.488 2.809 4.357 42485 15.369 31.532 3.242 4.354 30928 15.300 30.198 3.391 4.362 -42897 15.264 30.223 4.282 4.359 -49222 15.251 28.636 0.567 4.354 33731 15.138 25.679 0.878 4.358 62413 14.857 18.528 0.786 4.348 40000 31.489 15.283 4.347 2.807 35029 31.463 31.479 3.228 2.819 250589 31.467 25.473 0.887 2.821 58247 31.539 27.922 1.696 2.823 17001 22.453 22.449 4.222 4.221 1237702 22.491 31.971 1.879 4.220 67391 22.489 32.045 2.350 4.223 75263 22.392 30.794 1.600 4.230 31735 22.374 15.346 2.047 4.223 -31140 32.067 22.487 4.228 2.324 58295 32.160 32.154 2.330 2.321 1233302 30.360 15.189 4.358 4.302 -57141 30.317 30.329 3.390 4.303 98616 30.269 30.257 4.298 4.297 146985 30.334 30.233 0.646 4.298 18808 30.098 18.287 0.789 4.306 -33517 30.267 30.303 3.401 3.397 335275 30.089 26.864 1.814 4.306 -39738 27.007 15.210 4.375 1.781 22783 26.829 30.381 3.381 1.768 -32341 26.920 30.258 4.285 1.772 -43314 27.125 30.413 0.626 1.763 -25375 26.899 18.254 0.779 1.783 35541 26.933 32.083 1.887 1.779 72605 15.209 15.210 4.533 4.532 15670224 14.862 19.894 1.068 4.507 -41521 15.053 20.024 1.585 4.500 -56732 16.885 16.874 4.883 4.885 830157 16.821 32.778 2.942 4.883 71027 17.001 32.757 3.261 4.885 84383 17.064 34.070 0.633 4.884 -25124 32.701 16.966 4.893 2.940 46020 32.662 16.966 4.879 3.277 56710 32.712 32.762 2.940 3.260 106924 32.818 34.070 0.666 2.934 -51649 16.142 26.599 3.317 4.470 93246 26.616 16.236 4.466 3.323 83727 26.672 26.683 3.322 3.322 664832 16.204 16.193 -0.078 6.913 3868332 28.589 32.744 4.827 2.086 -33973 28.201 17.923 0.257 2.074 -22363 22.529 32.135 4.592 4.666 -92928 22.572 21.942 0.562 4.671 141936 22.560 22.542 4.666 4.668 780251 22.464 32.232 2.051 4.665 42429 22.588 32.109 2.335 4.664 71690 32.180 21.881 0.559 2.321 30939 32.186 22.555 4.662 2.320 78391 32.080 30.302 3.801 2.331 -18441 32.191 28.187 1.883 2.316 58607 32.163 28.219 2.288 2.319 70358 28.183 32.176 2.057 2.291 109253 28.252 32.180 2.319 2.291 84185 28.181 30.224 3.815 2.293 -69305 28.195 28.201 1.872 2.292 246462 28.203 28.203 2.292 2.292 650221 34.070 34.070 4.533 4.531 1368944 34.070 22.729 1.500 4.523 45830 34.070 28.834 0.575 4.529 -26825 34.070 25.564 0.881 4.528 -118270 34.070 27.639 1.660 4.525 -36749 34.070 16.764 4.776 4.534 -38219 22.686 34.070 4.510 1.525 35184 22.737 28.533 0.561 1.520 -26462 22.558 25.656 0.865 1.493 -27516 28.623 21.097 1.089 0.570 120367 28.657 15.281 4.367 0.570 55639 28.537 34.070 4.542 0.571 -25205 28.623 28.621 0.569 0.569 2436841 28.602 25.553 0.885 0.570 136447 28.415 27.743 1.662 0.566 76518 28.608 20.495 2.738 0.567 -61938 28.793 20.480 3.051 0.564 -47593 28.699 29.952 -0.038 0.575 -40382 28.436 17.292 1.833 0.568 -29956 28.692 18.208 0.792 0.570 27895 28.686 21.171 6.418 0.568 131715 28.663 23.135 0.193 0.567 118705 28.695 22.657 1.508 0.570 -66298 25.520 15.228 4.356 0.878 71596 25.494 31.467 2.817 0.877 73033 25.603 31.487 3.256 0.875 53049 25.539 34.070 4.522 0.878 -124012 25.558 28.615 0.569 0.878 132836 25.547 27.693 1.663 0.877 88771 25.537 20.546 2.747 0.872 -29520 25.512 16.830 4.779 0.878 114768 25.511 29.706 2.757 0.880 56137 25.460 17.279 1.857 0.873 -17715 27.859 28.526 0.538 1.708 24880 20.922 20.930 4.291 4.291 1191128 20.742 32.250 2.004 4.290 44536 20.898 21.690 0.693 4.293 124681 20.959 20.973 1.040 4.292 114195 20.973 16.065 5.134 4.294 68111 21.031 29.608 -0.040 4.288 -33080 21.698 20.956 4.290 0.693 159911 21.689 32.166 2.002 0.692 258435 21.677 21.681 0.692 0.693 10233246 21.592 21.164 2.918 0.692 -68722 21.555 25.499 1.332 0.692 67371 21.681 15.907 5.130 0.693 22927 21.700 14.036 -0.255 0.694 -55522 20.975 20.936 4.291 1.035 175742 20.959 32.175 2.001 1.033 215475 20.995 21.667 0.690 1.033 371862 20.937 20.940 1.038 1.036 11559670 20.933 16.031 5.113 1.034 23569 20.981 29.824 -0.046 1.035 -84603 21.020 14.036 -0.252 1.037 -114727 32.983 21.849 1.336 4.536 68366 33.065 21.843 1.601 4.536 46579 32.981 25.609 0.686 4.548 -32589 33.006 23.550 0.660 4.533 -137100 32.843 26.919 1.377 4.534 -39860 32.951 32.945 4.548 4.546 2200747 25.567 29.484 2.371 0.637 27822 25.652 32.954 4.533 0.634 -25770 25.592 21.859 1.600 0.632 -88981 25.598 26.957 1.393 0.630 152865 25.421 24.779 2.491 0.632 -24111 25.607 23.759 2.693 0.637 -54732 25.579 23.840 2.953 0.637 -29811 25.470 28.270 -0.032 0.651 -20874 23.619 29.646 2.375 0.654 25732 23.634 34.070 2.298 0.654 29804 23.851 21.744 0.691 0.693 269380 23.526 32.922 4.536 0.657 -162106 23.523 21.878 1.334 0.657 -66315 23.622 21.879 1.604 0.656 -49388 23.555 26.949 1.389 0.654 130725 26.863 34.070 2.277 1.386 19894 27.027 21.861 1.595 1.398 -112244 26.982 25.589 0.636 1.398 105781 26.994 23.578 0.663 1.385 74317 14.461 25.453 1.308 4.859 48720 14.409 20.183 4.601 4.854 74521 14.492 21.218 0.576 4.855 30042 14.528 21.132 0.747 4.862 37116 31.435 31.436 4.545 4.544 3418776 31.414 20.940 1.342 4.544 -222025 20.914 31.428 4.543 1.342 -311482 20.926 20.928 1.342 1.343 14055340 30.568 30.563 4.642 4.642 2074944 30.567 21.365 1.400 4.642 -208119 30.547 20.997 0.791 4.648 -18825 21.393 30.545 4.640 1.403 -264854 21.368 21.353 1.401 1.403 12765458 20.260 14.490 4.864 4.596 96408 20.146 20.138 4.600 4.598 1502673 20.145 34.070 1.811 4.597 54132 20.155 21.391 0.566 4.597 91453 20.153 21.162 0.747 4.598 122742 21.652 14.467 4.869 0.555 35090 21.324 20.173 4.599 0.557 128943 21.377 34.070 1.817 0.556 211061 21.101 14.541 4.868 0.748 40234 21.176 25.546 1.308 0.753 66120 21.145 30.223 4.647 0.753 -23831 21.156 20.165 4.600 0.751 145759 21.154 34.070 1.817 0.749 214107 21.151 21.148 0.752 0.751 15416688 32.178 24.891 2.505 5.059 96644 32.346 24.881 0.959 5.054 -21171 24.942 25.601 0.650 2.512 -24344 24.853 32.190 5.054 2.510 84343 24.886 24.899 2.496 2.509 425802 24.982 24.913 0.952 2.502 -108778 16.006 20.961 4.299 5.110 56224 16.019 16.010 5.122 5.122 1254871 16.008 20.468 2.734 5.128 -59467 16.087 20.400 3.034 5.122 -64827 15.987 29.947 -0.044 5.125 -51787 29.932 28.494 0.563 6.959 -30134 30.283 21.070 4.273 6.954 -17727 30.076 15.999 5.134 6.953 -51674 29.655 20.522 2.744 6.951 65529 29.923 20.533 3.059 6.951 58402 29.884 29.878 -0.040 6.952 1123082 29.883 14.036 -0.251 6.953 281934 29.973 23.058 0.202 6.954 -38482 29.801 21.031 1.059 6.953 -114733 14.036 21.673 0.689 6.747 -62030 14.036 21.365 0.571 6.740 -48357 14.036 16.227 5.100 6.747 -16081 14.036 29.893 -0.041 6.743 368299 14.036 14.036 -0.251 6.744 2618571 14.036 19.206 3.869 6.742 -24892 14.036 32.285 2.200 6.744 -37869 14.036 29.535 1.930 6.746 -33121 14.409 25.459 1.665 6.736 -22468 14.036 23.216 0.168 6.742 -27805 14.036 21.032 1.059 6.744 -183085 15.236 15.233 5.066 5.066 866867 15.219 23.770 2.679 5.067 -85561 15.241 23.660 2.960 5.068 -49050 15.283 28.097 -0.032 5.075 -28837 15.278 14.404 4.729 5.064 88398 15.262 24.931 0.953 5.067 28346 26.514 26.488 0.283 7.275 524630 28.254 25.623 0.645 6.962 -24593 28.259 15.253 5.043 6.967 -31524 28.080 23.715 2.674 6.960 43073 28.201 23.760 2.954 6.969 35642 28.316 15.345 4.161 6.966 -23531 27.854 14.378 4.707 6.960 -29641 28.301 21.906 1.702 6.968 18442 28.108 27.467 1.704 6.975 -18913 28.025 24.920 0.974 6.965 -44055 28.278 28.257 -0.033 6.961 1086759 27.973 26.583 0.280 7.272 235416 28.584 28.196 -0.020 7.280 38470 28.220 28.220 0.288 7.273 521753 28.412 15.322 4.165 7.269 -33931 28.192 25.133 2.983 7.277 21869 29.662 25.543 0.890 2.767 53695 29.714 16.847 4.780 2.794 35798 29.820 30.315 3.394 2.776 25669 29.481 30.424 0.622 2.766 -23016 15.386 28.290 0.279 4.175 -31335 15.320 15.319 4.178 4.174 1984513 15.364 28.982 1.991 4.172 85408 15.242 33.585 1.992 4.177 30526 15.511 34.070 2.271 4.167 40013 28.957 33.706 2.008 2.010 243148 28.946 34.070 2.257 2.011 142100 14.036 30.360 3.293 4.567 69359 14.036 14.036 4.601 4.603 1822150 18.442 18.406 4.655 4.652 802268 18.577 30.303 3.065 4.669 42363 18.570 30.191 3.405 4.659 72652 18.461 14.573 0.166 4.653 -40965 30.205 18.527 4.660 3.073 31463 30.158 18.551 4.659 3.403 64435 30.197 30.153 3.084 3.407 115435 30.259 30.441 0.617 3.089 -32903 14.557 18.482 4.659 7.161 -90994 14.609 30.143 3.417 7.161 -31341 14.565 14.567 0.167 7.160 779178 34.070 16.911 4.893 7.649 -22324 34.070 32.757 2.934 7.645 -49548 34.070 32.677 3.237 7.644 -33545 14.537 15.084 5.065 4.715 106801 14.473 14.468 4.717 4.713 1270920 14.511 21.768 1.700 4.713 -133635 14.512 24.923 0.982 4.714 125639 24.991 24.989 0.989 0.985 21055650 25.011 27.491 1.702 0.981 192995 24.953 32.235 5.072 0.989 -24506 24.907 24.890 2.513 0.979 -58848 24.765 15.134 5.072 0.971 33447 24.732 23.784 2.679 0.975 -39292 25.098 23.863 2.943 0.967 -33676 24.911 21.748 1.700 0.981 -268780 24.893 28.266 -0.036 0.976 -39994 24.781 14.486 4.716 0.971 116062 27.541 14.446 4.703 1.706 27853 27.335 21.740 1.699 1.704 -692338 27.483 25.006 0.984 1.711 197013 15.847 17.381 1.832 4.267 -38363 15.914 30.540 0.627 4.271 -105071 15.816 18.279 0.781 4.271 108666 30.524 30.323 4.303 0.625 31896 30.668 25.465 0.890 0.626 -42192 30.561 29.658 2.789 0.619 -34687 30.622 30.072 3.079 0.624 -23487 30.525 29.923 3.417 0.621 -20223 30.554 15.879 4.275 0.623 -155275 30.556 30.554 0.624 0.624 4370716 30.556 27.235 1.238 0.623 -74334 30.505 27.110 1.822 0.622 -92487 30.577 18.263 0.785 0.624 -157603 27.219 30.565 0.618 1.831 -40523 27.294 27.237 1.242 1.835 81396 18.303 15.075 4.349 0.777 64468 18.372 30.261 3.396 0.778 -39736 18.288 30.339 4.297 0.780 -36713 18.355 28.621 0.571 0.779 29660 18.301 15.852 4.273 0.778 119970 18.322 17.245 1.833 0.779 -131194 18.236 30.582 0.621 0.776 -113635 18.303 27.126 1.258 0.777 33329 18.403 32.676 1.679 0.782 43403 18.341 32.478 1.924 0.778 41405 18.124 23.744 2.852 0.782 67263 18.259 23.137 0.195 0.779 141863 18.275 27.017 1.814 0.779 54385 17.253 17.252 4.438 4.436 21994380 17.248 22.383 3.845 4.433 663149 17.092 22.265 4.066 4.424 218105 22.384 17.224 4.425 3.821 411396 22.311 17.070 4.425 4.077 166979 22.296 22.309 3.806 4.080 572754 22.273 22.283 4.074 4.074 2857244 22.683 22.679 3.193 4.099 -56340 19.085 19.093 3.868 3.868 1286265 19.210 32.347 2.211 3.878 83290 19.070 23.071 0.200 3.868 109321 32.378 16.532 4.193 1.832 75963 32.393 25.072 1.491 1.835 109061 14.675 14.668 4.329 4.330 3731732 14.638 32.411 1.668 4.324 47583 14.649 32.442 1.930 4.321 82996 14.576 29.012 1.521 4.318 68929 23.806 28.419 0.564 2.853 27971 23.635 18.278 0.775 2.830 51900 23.738 23.732 2.840 2.836 962290 23.771 32.262 1.338 2.852 35500 23.695 21.184 6.415 2.842 82770 23.733 23.171 0.201 2.836 114778 32.281 32.267 1.331 1.328 594898 32.278 21.110 6.414 1.329 107643 32.270 23.154 0.200 1.332 99453 21.137 30.296 4.170 -0.586 -53316 21.179 21.140 1.100 -0.583 155799 21.158 28.635 0.568 -0.585 90846 21.300 18.420 0.771 -0.574 25815 21.158 23.719 2.837 -0.582 67882 21.132 32.269 1.326 -0.583 139450 21.149 21.145 6.412 -0.583 4249194 21.152 23.126 0.194 -0.583 199358 21.058 25.855 -0.055 -0.579 -19722 22.825 29.989 4.187 0.197 -17236 23.041 21.011 1.088 0.205 36064 23.129 28.637 0.572 0.198 92335 23.120 30.030 -0.037 0.207 -44865 23.193 17.257 1.832 0.200 -38008 23.120 18.213 0.782 0.199 110166 23.180 19.064 3.868 0.199 125620 23.103 23.739 2.840 0.199 131746 23.124 32.273 1.326 0.198 146088 23.137 21.165 6.416 0.198 230320 23.137 23.131 0.197 0.198 4535481 34.070 30.689 1.600 4.362 -71317 34.070 30.733 1.812 4.363 -72031 34.070 15.345 2.012 4.363 51935 15.325 22.394 4.235 2.078 -21983 15.421 34.070 4.364 2.071 31339 15.325 30.798 1.606 2.077 -59790 15.502 30.689 1.839 2.083 -120791 15.378 15.381 2.066 2.073 979724 16.473 30.245 4.186 5.395 -76385 16.498 21.240 1.098 5.402 17909 16.426 16.443 5.390 5.392 624814 16.681 20.479 2.691 5.393 -29259 16.461 20.494 2.878 5.393 -43402 16.371 28.671 -0.057 5.386 -29481 20.705 17.329 1.571 2.855 -25621 20.547 16.523 5.374 2.859 -50591 25.699 21.058 6.401 6.932 -24561 28.663 20.551 2.849 6.946 31504 28.195 28.135 0.158 6.962 196793 28.023 21.133 1.085 7.185 -43154 28.300 14.036 -0.244 7.183 25474 28.172 21.048 6.414 7.189 -29851 17.812 17.683 1.545 4.685 19666 17.531 15.208 2.247 4.690 -113496 17.610 21.770 0.841 4.690 145034 17.658 19.154 0.786 4.687 55009 15.254 17.592 4.691 2.242 -80812 15.247 21.780 0.843 2.244 -178550 15.173 19.102 0.785 2.243 -126227 21.800 23.670 1.891 0.837 -14735 21.727 23.908 0.849 0.844 -439478 21.828 26.113 0.742 0.841 128849 21.794 26.618 1.501 0.848 25488 21.799 15.285 2.011 0.842 -51339 21.811 17.628 4.687 0.842 141541 21.799 15.232 2.238 0.842 -245033 19.122 14.036 1.663 0.786 -116982 18.968 29.459 1.648 0.788 42788 19.100 21.061 2.928 0.785 -47326 19.153 24.783 1.428 0.785 31157 19.085 26.142 0.745 0.785 117886 19.080 26.709 1.506 0.784 49585 19.076 17.647 4.686 0.788 63626 19.090 15.200 2.243 0.785 -196573 19.063 21.671 0.851 0.785 242493 18.948 20.956 1.632 0.780 -22383 18.675 18.699 0.786 0.785 7568708 14.627 21.084 1.626 4.452 -23155 21.121 25.579 0.948 1.651 -109068 25.645 32.727 2.419 0.941 15338 25.710 30.981 3.934 0.950 -31037 25.727 27.413 2.109 0.944 37953 25.846 18.492 0.833 0.942 46634 25.657 21.149 1.657 0.948 -186406 25.416 27.388 1.717 0.948 151145 23.758 17.380 1.575 0.839 41336 27.231 24.031 0.813 1.738 64692 33.271 29.504 1.685 4.044 -29025 33.367 21.063 2.956 4.040 37425 32.931 32.927 4.034 4.034 3279814 33.140 20.499 1.278 4.040 -207970 20.490 30.262 1.999 1.275 52898 20.605 16.103 2.198 1.276 -48085 20.515 34.070 1.668 1.281 37753 20.409 29.541 1.680 1.276 48831 20.534 21.144 2.944 1.273 -30119 20.547 33.137 4.040 1.276 -221122 20.533 20.527 1.278 1.278 16942376 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 H . 18 . . . 15100 1 2 H 1 H . 13 . . . 15100 1 3 N 15 HN . 16.6 . . . 15100 1 stop_ save_