################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34665 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC aromatic' . . . 34665 1 2 '2D DQF-COSY' . . . 34665 1 3 '2D 1H-1H NOESY' . . . 34665 1 4 '2D 1H-1H TOCSY' . . . 34665 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 THM H1' H 1 5.747 0.003 . 1 . . 717 . A 1 THM H1' . 34665 1 2 . 1 . 1 1 1 THM H2'1 H 1 2.017 0.003 . 1 . . 908 . A 1 THM H2'1 . 34665 1 3 . 1 . 1 1 1 THM H2'2 H 1 2.212 0.003 . 1 . . 714 . A 1 THM H2'2 . 34665 1 4 . 1 . 1 1 1 THM H3' H 1 4.432 0.001 . 1 . . 876 . A 1 THM H3' . 34665 1 5 . 1 . 1 1 1 THM H6 H 1 7.362 0.001 . 1 . . 713 . A 1 THM H6 . 34665 1 6 . 1 . 1 1 1 THM H71 H 1 1.623 0.001 . 1 . . 772 . A 1 THM HM51 . 34665 1 7 . 1 . 1 1 1 THM H72 H 1 1.623 0.001 . 1 . . 772 . A 1 THM HM52 . 34665 1 8 . 1 . 1 1 1 THM H73 H 1 1.623 0.001 . 1 . . 772 . A 1 THM HM53 . 34665 1 9 . 1 . 1 1 1 THM C6 C 13 139.328 . . 1 . . 849 . A 1 THM C6 . 34665 1 10 . 1 . 1 2 2 DT H1' H 1 5.732 0.002 . 1 . . 710 . A 2 DT H1' . 34665 1 11 . 1 . 1 2 2 DT H2' H 1 1.611 0.003 . 1 . . 715 . A 2 DT H2' . 34665 1 12 . 1 . 1 2 2 DT H2'' H 1 2.081 0.002 . 1 . . 716 . A 2 DT H2'' . 34665 1 13 . 1 . 1 2 2 DT H3' H 1 4.515 0.001 . 1 . . 875 . A 2 DT H3' . 34665 1 14 . 1 . 1 2 2 DT H6 H 1 7.106 0.001 . 1 . . 711 . A 2 DT H6 . 34665 1 15 . 1 . 1 2 2 DT H71 H 1 1.518 0.001 . 1 . . 712 . A 2 DT H71 . 34665 1 16 . 1 . 1 2 2 DT H72 H 1 1.518 0.001 . 1 . . 712 . A 2 DT H72 . 34665 1 17 . 1 . 1 2 2 DT H73 H 1 1.518 0.001 . 1 . . 712 . A 2 DT H73 . 34665 1 18 . 1 . 1 2 2 DT C6 C 13 138.874 . . 1 . . 844 . A 2 DT C6 . 34665 1 19 . 1 . 1 3 3 DA H1' H 1 5.726 0.005 . 1 . . 707 . A 3 DA H1' . 34665 1 20 . 1 . 1 3 3 DA H2 H 1 7.775 0.001 . 1 . . 758 . A 3 DA H2 . 34665 1 21 . 1 . 1 3 3 DA H2' H 1 2.528 0.002 . 1 . . 775 . A 3 DA H2' . 34665 1 22 . 1 . 1 3 3 DA H2'' H 1 2.601 0.0 . 1 . . 776 . A 3 DA H2'' . 34665 1 23 . 1 . 1 3 3 DA H3' H 1 4.820 . . 1 . . 870 . A 3 DA H3' . 34665 1 24 . 1 . 1 3 3 DA H8 H 1 7.977 0.001 . 1 . . 709 . A 3 DA H8 . 34665 1 25 . 1 . 1 3 3 DA C2 C 13 154.505 . . 1 . . 920 . A 3 DA C2 . 34665 1 26 . 1 . 1 3 3 DA C8 C 13 141.710 . . 1 . . 843 . A 3 DA C8 . 34665 1 27 . 1 . 1 4 4 DG H1 H 1 11.343 0.003 . 1 . . 756 . A 4 DG H1 . 34665 1 28 . 1 . 1 4 4 DG H1' H 1 5.956 0.002 . 1 . . 739 . A 4 DG H1' . 34665 1 29 . 1 . 1 4 4 DG H2' H 1 2.513 0.005 . 1 . . 910 . A 4 DG H2' . 34665 1 30 . 1 . 1 4 4 DG H2'' H 1 2.825 0.002 . 1 . . 740 . A 4 DG H2'' . 34665 1 31 . 1 . 1 4 4 DG H3' H 1 4.900 0.001 . 1 . . 873 . A 4 DG H3' . 34665 1 32 . 1 . 1 4 4 DG H8 H 1 7.837 0.001 . 1 . . 708 . A 4 DG H8 . 34665 1 33 . 1 . 1 4 4 DG C8 C 13 137.728 . . 1 . . 864 . A 4 DG C8 . 34665 1 34 . 1 . 1 5 5 DG H1 H 1 11.178 0.012 . 1 . . 757 . A 5 DG H1 . 34665 1 35 . 1 . 1 5 5 DG H1' H 1 5.980 0.002 . 1 . . 742 . A 5 DG H1' . 34665 1 36 . 1 . 1 5 5 DG H2' H 1 2.584 0.003 . 1 . . 911 . A 5 DG H2' . 34665 1 37 . 1 . 1 5 5 DG H2'' H 1 2.389 0.001 . 1 . . 912 . A 5 DG H2'' . 34665 1 38 . 1 . 1 5 5 DG H3' H 1 4.997 0.002 . 1 . . 874 . A 5 DG H3' . 34665 1 39 . 1 . 1 5 5 DG H8 H 1 7.493 0.001 . 1 . . 741 . A 5 DG H8 . 34665 1 40 . 1 . 1 5 5 DG C8 C 13 137.201 . . 1 . . 865 . A 5 DG C8 . 34665 1 41 . 1 . 1 6 6 DT H1' H 1 6.505 0.001 . 1 . . 733 . A 6 DT H1' . 34665 1 42 . 1 . 1 6 6 DT H2' H 1 2.479 . . 1 . . 789 . A 6 DT H2' . 34665 1 43 . 1 . 1 6 6 DT H2'' H 1 2.672 . . 1 . . 790 . A 6 DT H2'' . 34665 1 44 . 1 . 1 6 6 DT H3' H 1 5.083 0.001 . 1 . . 882 . A 6 DT H3' . 34665 1 45 . 1 . 1 6 6 DT H6 H 1 7.850 0.001 . 1 . . 732 . A 6 DT H6 . 34665 1 46 . 1 . 1 6 6 DT H71 H 1 1.989 0.0 . 1 . . 768 . A 6 DT H71 . 34665 1 47 . 1 . 1 6 6 DT H72 H 1 1.989 0.0 . 1 . . 768 . A 6 DT H72 . 34665 1 48 . 1 . 1 6 6 DT H73 H 1 1.989 0.0 . 1 . . 768 . A 6 DT H73 . 34665 1 49 . 1 . 1 6 6 DT C6 C 13 139.721 . . 1 . . 856 . A 6 DT C6 . 34665 1 50 . 1 . 1 7 7 DG H1 H 1 11.614 0.002 . 1 . . 760 . A 7 DG H1 . 34665 1 51 . 1 . 1 7 7 DG H1' H 1 6.083 0.001 . 1 . . 737 . A 7 DG H1' . 34665 1 52 . 1 . 1 7 7 DG H2' H 1 2.725 0.001 . 1 . . 783 . A 7 DG H2' . 34665 1 53 . 1 . 1 7 7 DG H2'' H 1 2.862 0.004 . 1 . . 784 . A 7 DG H2'' . 34665 1 54 . 1 . 1 7 7 DG H3' H 1 4.867 0.001 . 1 . . 879 . A 7 DG H3' . 34665 1 55 . 1 . 1 7 7 DG H8 H 1 8.129 0.001 . 1 . . 738 . A 7 DG H8 . 34665 1 56 . 1 . 1 7 7 DG C8 C 13 138.212 . . 1 . . 839 . A 7 DG C8 . 34665 1 57 . 1 . 1 8 8 DG H1 H 1 11.399 0.001 . 1 . . 759 . A 8 DG H1 . 34665 1 58 . 1 . 1 8 8 DG H1' H 1 6.188 0.002 . 1 . . 735 . A 8 DG H1' . 34665 1 59 . 1 . 1 8 8 DG H2' H 1 2.643 0.0 . 1 . . 796 . A 8 DG H2' . 34665 1 60 . 1 . 1 8 8 DG H2'' H 1 2.911 0.003 . 1 . . 795 . A 8 DG H2'' . 34665 1 61 . 1 . 1 8 8 DG H3' H 1 5.015 0.003 . 1 . . 883 . A 8 DG H3' . 34665 1 62 . 1 . 1 8 8 DG H8 H 1 7.779 0.003 . 1 . . 736 . A 8 DG H8 . 34665 1 63 . 1 . 1 8 8 DG C8 C 13 137.827 . . 1 . . 859 . A 8 DG C8 . 34665 1 64 . 1 . 1 9 9 DG H1 H 1 11.265 0.002 . 1 . . 761 . A 9 DG H1 . 34665 1 65 . 1 . 1 9 9 DG H1' H 1 6.386 0.002 . 1 . . 720 . A 9 DG H1' . 34665 1 66 . 1 . 1 9 9 DG H2' H 1 2.748 0.0 . 1 . . 786 . A 9 DG H2' . 34665 1 67 . 1 . 1 9 9 DG H2'' H 1 2.580 0.001 . 1 . . 785 . A 9 DG H2'' . 34665 1 68 . 1 . 1 9 9 DG H3' H 1 5.042 0.003 . 1 . . 881 . A 9 DG H3' . 34665 1 69 . 1 . 1 9 9 DG H8 H 1 7.931 0.002 . 1 . . 734 . A 9 DG H8 . 34665 1 70 . 1 . 1 9 9 DG C8 C 13 138.168 . . 1 . . 858 . A 9 DG C8 . 34665 1 71 . 1 . 1 10 10 DT H1' H 1 6.258 0.002 . 1 . . 670 . A 10 DT H1' . 34665 1 72 . 1 . 1 10 10 DT H2' H 1 2.240 0.004 . 1 . . 782 . A 10 DT H2' . 34665 1 73 . 1 . 1 10 10 DT H2'' H 1 2.469 0.001 . 1 . . 781 . A 10 DT H2'' . 34665 1 74 . 1 . 1 10 10 DT H3' H 1 4.755 0.001 . 1 . . 884 . A 10 DT H3' . 34665 1 75 . 1 . 1 10 10 DT H6 H 1 7.675 0.001 . 1 . . 671 . A 10 DT H6 . 34665 1 76 . 1 . 1 10 10 DT H71 H 1 1.951 0.001 . 1 . . 766 . A 10 DT H71 . 34665 1 77 . 1 . 1 10 10 DT H72 H 1 1.951 0.001 . 1 . . 766 . A 10 DT H72 . 34665 1 78 . 1 . 1 10 10 DT H73 H 1 1.951 0.001 . 1 . . 766 . A 10 DT H73 . 34665 1 79 . 1 . 1 10 10 DT C6 C 13 139.910 . . 1 . . 855 . A 10 DT C6 . 34665 1 80 . 1 . 1 11 11 DA H1' H 1 6.655 0.002 . 1 . . 719 . A 11 DA H1' . 34665 1 81 . 1 . 1 11 11 DA H2 H 1 8.361 0.001 . 1 . . 721 . A 11 DA H2 . 34665 1 82 . 1 . 1 11 11 DA H2' H 1 3.033 0.003 . 1 . . 780 . A 11 DA H2' . 34665 1 83 . 1 . 1 11 11 DA H2'' H 1 2.940 0.001 . 1 . . 779 . A 11 DA H2'' . 34665 1 84 . 1 . 1 11 11 DA H3' H 1 5.140 0.003 . 1 . . 869 . A 11 DA H3' . 34665 1 85 . 1 . 1 11 11 DA H8 H 1 8.549 0.001 . 1 . . 718 . A 11 DA H8 . 34665 1 86 . 1 . 1 11 11 DA C2 C 13 155.365 . . 1 . . 837 . A 11 DA C2 . 34665 1 87 . 1 . 1 11 11 DA C8 C 13 143.058 . . 1 . . 836 . A 11 DA C8 . 34665 1 88 . 1 . 1 12 12 DG H1 H 1 11.872 0.003 . 1 . . 755 . A 12 DG H1 . 34665 1 89 . 1 . 1 12 12 DG H1' H 1 6.135 0.002 . 1 . . 723 . A 12 DG H1' . 34665 1 90 . 1 . 1 12 12 DG H2' H 1 2.622 0.002 . 1 . . 777 . A 12 DG H2' . 34665 1 91 . 1 . 1 12 12 DG H2'' H 1 2.943 0.001 . 1 . . 778 . A 12 DG H2'' . 34665 1 92 . 1 . 1 12 12 DG H3' H 1 4.993 0.002 . 1 . . 872 . A 12 DG H3' . 34665 1 93 . 1 . 1 12 12 DG H8 H 1 8.027 0.001 . 1 . . 722 . A 12 DG H8 . 34665 1 94 . 1 . 1 12 12 DG C8 C 13 138.255 . . 1 . . 842 . A 12 DG C8 . 34665 1 95 . 1 . 1 13 13 DG H1 H 1 11.265 0.002 . 1 . . 762 . A 13 DG H1 . 34665 1 96 . 1 . 1 13 13 DG H1' H 1 6.245 0.002 . 1 . . 727 . A 13 DG H1' . 34665 1 97 . 1 . 1 13 13 DG H2' H 1 2.687 0.0 . 1 . . 794 . A 13 DG H2' . 34665 1 98 . 1 . 1 13 13 DG H2'' H 1 3.016 0.001 . 1 . . 793 . A 13 DG H2'' . 34665 1 99 . 1 . 1 13 13 DG H3' H 1 5.032 0.002 . 1 . . 886 . A 13 DG H3' . 34665 1 100 . 1 . 1 13 13 DG H8 H 1 7.836 0.002 . 1 . . 726 . A 13 DG H8 . 34665 1 101 . 1 . 1 13 13 DG C8 C 13 137.726 . . 1 . . 863 . A 13 DG C8 . 34665 1 102 . 1 . 1 14 14 DG H1 H 1 11.113 0.005 . 1 . . 763 . A 14 DG H1 . 34665 1 103 . 1 . 1 14 14 DG H1' H 1 6.450 0.002 . 1 . . 729 . A 14 DG H1' . 34665 1 104 . 1 . 1 14 14 DG H2' H 1 2.731 0.003 . 1 . . 788 . A 14 DG H2' . 34665 1 105 . 1 . 1 14 14 DG H2'' H 1 2.581 0.002 . 1 . . 787 . A 14 DG H2'' . 34665 1 106 . 1 . 1 14 14 DG H3' H 1 5.153 0.0 . 1 . . 885 . A 14 DG H3' . 34665 1 107 . 1 . 1 14 14 DG H4' H 1 4.585 0.001 . 1 . . 918 . A 14 DG H4' . 34665 1 108 . 1 . 1 14 14 DG H8 H 1 7.877 0.002 . 1 . . 728 . A 14 DG H8 . 34665 1 109 . 1 . 1 14 14 DG C8 C 13 138.124 . . 1 . . 862 . A 14 DG C8 . 34665 1 110 . 1 . 1 15 15 DT H1' H 1 6.418 0.001 . 1 . . 731 . A 15 DT H1' . 34665 1 111 . 1 . 1 15 15 DT H2' H 1 2.413 . . 1 . . 791 . A 15 DT H2' . 34665 1 112 . 1 . 1 15 15 DT H2'' H 1 2.634 0.0 . 1 . . 792 . A 15 DT H2'' . 34665 1 113 . 1 . 1 15 15 DT H3' H 1 5.005 0.0 . 1 . . 880 . A 15 DT H3' . 34665 1 114 . 1 . 1 15 15 DT H6 H 1 7.826 0.0 . 1 . . 730 . A 15 DT H6 . 34665 1 115 . 1 . 1 15 15 DT H71 H 1 1.953 0.0 . 1 . . 767 . A 15 DT H71 . 34665 1 116 . 1 . 1 15 15 DT H72 H 1 1.953 0.0 . 1 . . 767 . A 15 DT H72 . 34665 1 117 . 1 . 1 15 15 DT H73 H 1 1.953 0.0 . 1 . . 767 . A 15 DT H73 . 34665 1 118 . 1 . 1 15 15 DT C6 C 13 139.980 . . 1 . . 857 . A 15 DT C6 . 34665 1 119 . 1 . 1 16 16 DG H1 H 1 11.263 0.002 . 1 . . 765 . A 16 DG H1 . 34665 1 120 . 1 . 1 16 16 DG H1' H 1 6.022 0.002 . 1 . . 744 . A 16 DG H1' . 34665 1 121 . 1 . 1 16 16 DG H2' H 1 2.399 0.002 . 1 . . 798 . A 16 DG H2' . 34665 1 122 . 1 . 1 16 16 DG H2'' H 1 2.797 0.002 . 1 . . 797 . A 16 DG H2'' . 34665 1 123 . 1 . 1 16 16 DG H3' H 1 5.033 0.004 . 1 . . 887 . A 16 DG H3' . 34665 1 124 . 1 . 1 16 16 DG H8 H 1 7.872 0.001 . 1 . . 743 . A 16 DG H8 . 34665 1 125 . 1 . 1 16 16 DG C8 C 13 137.632 . . 1 . . 861 . A 16 DG C8 . 34665 1 126 . 1 . 1 17 17 DG H1 H 1 11.003 0.002 . 1 . . 764 . A 17 DG H1 . 34665 1 127 . 1 . 1 17 17 DG H1' H 1 5.965 0.003 . 1 . . 746 . A 17 DG H1' . 34665 1 128 . 1 . 1 17 17 DG H2' H 1 2.602 0.002 . 1 . . 799 . A 17 DG H2' . 34665 1 129 . 1 . 1 17 17 DG H2'' H 1 2.806 . . 1 . . 800 . A 17 DG H2'' . 34665 1 130 . 1 . 1 17 17 DG H3' H 1 5.052 0.005 . 1 . . 888 . A 17 DG H3' . 34665 1 131 . 1 . 1 17 17 DG H8 H 1 7.770 0.001 . 1 . . 745 . A 17 DG H8 . 34665 1 132 . 1 . 1 17 17 DG C8 C 13 137.821 . . 1 . . 860 . A 17 DG C8 . 34665 1 133 . 1 . 1 18 18 DG H1 H 1 9.887 0.005 . 1 . . 906 . A 18 DG H1 . 34665 1 134 . 1 . 1 18 18 DG H1' H 1 5.928 0.0 . 1 . . 700 . A 18 DG H1' . 34665 1 135 . 1 . 1 18 18 DG H2' H 1 2.626 0.003 . 1 . . 913 . A 18 DG H2' . 34665 1 136 . 1 . 1 18 18 DG H2'' H 1 2.785 . . 1 . . 914 . A 18 DG H2'' . 34665 1 137 . 1 . 1 18 18 DG H8 H 1 7.450 0.002 . 1 . . 889 . A 18 DG H8 . 34665 1 138 . 1 . 1 19 19 DC H1' H 1 5.873 0.001 . 1 . . 747 . A 19 DC H1' . 34665 1 139 . 1 . 1 19 19 DC H5 H 1 5.719 0.001 . 1 . . 748 . A 19 DC H5 . 34665 1 140 . 1 . 1 19 19 DC H6 H 1 7.586 0.004 . 1 . . 704 . A 19 DC H6 . 34665 1 141 . 1 . 1 19 19 DC C6 C 13 143.312 . . 1 . . 705 . A 19 DC C6 . 34665 1 142 . 1 . 1 20 20 DT H1' H 1 5.386 0.002 . 1 . . 686 . A 20 DT H1' . 34665 1 143 . 1 . 1 20 20 DT H2' H 1 2.038 0.002 . 1 . . 808 . A 20 DT H2' . 34665 1 144 . 1 . 1 20 20 DT H2'' H 1 2.288 0.002 . 1 . . 807 . A 20 DT H2'' . 34665 1 145 . 1 . 1 20 20 DT H3' H 1 4.804 0.003 . 1 . . 890 . A 20 DT H3' . 34665 1 146 . 1 . 1 20 20 DT H6 H 1 7.281 0.002 . 1 . . 685 . A 20 DT H6 . 34665 1 147 . 1 . 1 20 20 DT H71 H 1 1.575 0.003 . 1 . . 919 . A 20 DT H71 . 34665 1 148 . 1 . 1 20 20 DT H72 H 1 1.575 0.003 . 1 . . 919 . A 20 DT H72 . 34665 1 149 . 1 . 1 20 20 DT H73 H 1 1.575 0.003 . 1 . . 919 . A 20 DT H73 . 34665 1 150 . 1 . 1 20 20 DT C6 C 13 139.259 . . 1 . . 851 . A 20 DT C6 . 34665 1 151 . 1 . 1 21 21 DA H1' H 1 5.992 0.003 . 1 . . 688 . A 21 DA H1' . 34665 1 152 . 1 . 1 21 21 DA H2' H 1 2.766 0.001 . 1 . . 809 . A 21 DA H2' . 34665 1 153 . 1 . 1 21 21 DA H2'' H 1 2.866 0.003 . 1 . . 810 . A 21 DA H2'' . 34665 1 154 . 1 . 1 21 21 DA H3' H 1 5.002 0.002 . 1 . . 891 . A 21 DA H3' . 34665 1 155 . 1 . 1 21 21 DA H8 H 1 8.207 0.001 . 1 . . 687 . A 21 DA H8 . 34665 1 156 . 1 . 1 21 21 DA C8 C 13 141.661 . . 1 . . 838 . A 21 DA C8 . 34665 1 157 . 1 . 1 22 22 DG H1 H 1 12.613 0.002 . 1 . . 751 . A 22 DG H1 . 34665 1 158 . 1 . 1 22 22 DG H1' H 1 5.744 0.002 . 1 . . 692 . A 22 DG H1' . 34665 1 159 . 1 . 1 22 22 DG H2' H 1 2.391 0.004 . 1 . . 816 . A 22 DG H2' . 34665 1 160 . 1 . 1 22 22 DG H2'' H 1 2.624 0.001 . 1 . . 815 . A 22 DG H2'' . 34665 1 161 . 1 . 1 22 22 DG H3' H 1 4.782 0.0 . 1 . . 893 . A 22 DG H3' . 34665 1 162 . 1 . 1 22 22 DG H8 H 1 7.525 0.002 . 1 . . 691 . A 22 DG H8 . 34665 1 163 . 1 . 1 22 22 DG C8 C 13 136.931 . . 1 . . 854 . A 22 DG C8 . 34665 1 164 . 1 . 1 23 23 DT H1' H 1 5.873 0.001 . 1 . . 690 . A 23 DT H1' . 34665 1 165 . 1 . 1 23 23 DT H2' H 1 1.943 0.002 . 1 . . 817 . A 23 DT H2' . 34665 1 166 . 1 . 1 23 23 DT H2'' H 1 2.351 0.001 . 1 . . 813 . A 23 DT H2'' . 34665 1 167 . 1 . 1 23 23 DT H3 H 1 13.563 0.003 . 1 . . 754 . A 23 DT H3 . 34665 1 168 . 1 . 1 23 23 DT H3' H 1 4.752 0.0 . 1 . . 892 . A 23 DT H3' . 34665 1 169 . 1 . 1 23 23 DT H6 H 1 7.120 0.001 . 1 . . 672 . A 23 DT H6 . 34665 1 170 . 1 . 1 23 23 DT H71 H 1 1.219 0.003 . 1 . . 770 . A 23 DT H71 . 34665 1 171 . 1 . 1 23 23 DT H72 H 1 1.219 0.003 . 1 . . 770 . A 23 DT H72 . 34665 1 172 . 1 . 1 23 23 DT H73 H 1 1.219 0.003 . 1 . . 770 . A 23 DT H73 . 34665 1 173 . 1 . 1 23 23 DT C6 C 13 138.243 . . 1 . . 845 . A 23 DT C6 . 34665 1 174 . 1 . 1 24 24 DC H1' H 1 5.593 0.001 . 1 . . 677 . A 24 DC H1' . 34665 1 175 . 1 . 1 24 24 DC H2' H 1 1.732 0.002 . 1 . . 818 . A 24 DC H2' . 34665 1 176 . 1 . 1 24 24 DC H2'' H 1 2.194 0.002 . 1 . . 819 . A 24 DC H2'' . 34665 1 177 . 1 . 1 24 24 DC H3' H 1 4.744 0.003 . 1 . . 894 . A 24 DC H3' . 34665 1 178 . 1 . 1 24 24 DC H5 H 1 5.588 0.001 . 1 . . 668 . A 24 DC H5 . 34665 1 179 . 1 . 1 24 24 DC H6 H 1 7.302 0.002 . 1 . . 669 . A 24 DC H6 . 34665 1 180 . 1 . 1 24 24 DC H41 H 1 6.854 0.003 . 1 . . 667 . A 24 DC H41 . 34665 1 181 . 1 . 1 24 24 DC H42 H 1 8.482 0.002 . 1 . . 749 . A 24 DC H42 . 34665 1 182 . 1 . 1 24 24 DC C6 C 13 143.309 . . 1 . . 834 . A 24 DC C6 . 34665 1 183 . 1 . 1 25 25 DA H1' H 1 6.170 0.002 . 1 . . 679 . A 25 DA H1' . 34665 1 184 . 1 . 1 25 25 DA H2 H 1 7.881 0.001 . 1 . . 752 . A 25 DA H2 . 34665 1 185 . 1 . 1 25 25 DA H2' H 1 2.699 0.004 . 1 . . 823 . A 25 DA H2' . 34665 1 186 . 1 . 1 25 25 DA H2'' H 1 2.532 0.002 . 1 . . 822 . A 25 DA H2'' . 34665 1 187 . 1 . 1 25 25 DA H3' H 1 4.960 0.003 . 1 . . 897 . A 25 DA H3' . 34665 1 188 . 1 . 1 25 25 DA H8 H 1 8.146 0.002 . 1 . . 678 . A 25 DA H8 . 34665 1 189 . 1 . 1 25 25 DA C2 C 13 155.001 . . 1 . . 916 . A 25 DA C2 . 34665 1 190 . 1 . 1 25 25 DA C8 C 13 141.859 . . 1 . . 841 . A 25 DA C8 . 34665 1 191 . 1 . 1 26 26 DT H1' H 1 6.013 0.002 . 1 . . 695 . A 26 DT H1' . 34665 1 192 . 1 . 1 26 26 DT H2' H 1 2.067 0.001 . 1 . . 820 . A 26 DT H2' . 34665 1 193 . 1 . 1 26 26 DT H2'' H 1 2.322 0.002 . 1 . . 821 . A 26 DT H2'' . 34665 1 194 . 1 . 1 26 26 DT H3' H 1 4.670 0.001 . 1 . . 896 . A 26 DT H3' . 34665 1 195 . 1 . 1 26 26 DT H6 H 1 7.519 0.002 . 1 . . 693 . A 26 DT H6 . 34665 1 196 . 1 . 1 26 26 DT H71 H 1 1.774 0.004 . 1 . . 769 . A 26 DT H71 . 34665 1 197 . 1 . 1 26 26 DT H72 H 1 1.774 0.004 . 1 . . 769 . A 26 DT H72 . 34665 1 198 . 1 . 1 26 26 DT H73 H 1 1.774 0.004 . 1 . . 769 . A 26 DT H73 . 34665 1 199 . 1 . 1 26 26 DT C6 C 13 139.180 . . 1 . . 852 . A 26 DT C6 . 34665 1 200 . 1 . 1 27 27 DT H1' H 1 5.719 0.002 . 1 . . 696 . A 27 DT H1' . 34665 1 201 . 1 . 1 27 27 DT H2' H 1 1.928 0.002 . 1 . . 824 . A 27 DT H2' . 34665 1 202 . 1 . 1 27 27 DT H2'' H 1 2.183 0.001 . 1 . . 825 . A 27 DT H2'' . 34665 1 203 . 1 . 1 27 27 DT H3' H 1 4.595 0.002 . 1 . . 895 . A 27 DT H3' . 34665 1 204 . 1 . 1 27 27 DT H6 H 1 7.320 0.002 . 1 . . 694 . A 27 DT H6 . 34665 1 205 . 1 . 1 27 27 DT H71 H 1 1.587 0.002 . 1 . . 773 . A 27 DT H71 . 34665 1 206 . 1 . 1 27 27 DT H72 H 1 1.587 0.002 . 1 . . 773 . A 27 DT H72 . 34665 1 207 . 1 . 1 27 27 DT H73 H 1 1.587 0.002 . 1 . . 773 . A 27 DT H73 . 34665 1 208 . 1 . 1 27 27 DT C6 C 13 139.219 . . 1 . . 847 . A 27 DT C6 . 34665 1 209 . 1 . 1 28 28 DT H1' H 1 5.962 0.002 . 1 . . 629 . A 28 DT H1' . 34665 1 210 . 1 . 1 28 28 DT H2' H 1 2.155 . . 1 . . 826 . A 28 DT H2' . 34665 1 211 . 1 . 1 28 28 DT H2'' H 1 2.366 0.0 . 1 . . 827 . A 28 DT H2'' . 34665 1 212 . 1 . 1 28 28 DT H3' H 1 4.691 0.001 . 1 . . 898 . A 28 DT H3' . 34665 1 213 . 1 . 1 28 28 DT H6 H 1 7.386 0.006 . 1 . . 701 . A 28 DT H6 . 34665 1 214 . 1 . 1 28 28 DT H71 H 1 1.610 0.001 . 1 . . 774 . A 28 DT H71 . 34665 1 215 . 1 . 1 28 28 DT H72 H 1 1.610 0.001 . 1 . . 774 . A 28 DT H72 . 34665 1 216 . 1 . 1 28 28 DT H73 H 1 1.610 0.001 . 1 . . 774 . A 28 DT H73 . 34665 1 217 . 1 . 1 28 28 DT C6 C 13 139.367 . . 1 . . 850 . A 28 DT C6 . 34665 1 218 . 1 . 1 29 29 DT H1' H 1 5.718 0.003 . 1 . . 698 . A 29 DT H1' . 34665 1 219 . 1 . 1 29 29 DT H2' H 1 2.081 0.003 . 1 . . 829 . A 29 DT H2' . 34665 1 220 . 1 . 1 29 29 DT H2'' H 1 2.398 0.003 . 1 . . 828 . A 29 DT H2'' . 34665 1 221 . 1 . 1 29 29 DT H3' H 1 4.677 0.001 . 1 . . 899 . A 29 DT H3' . 34665 1 222 . 1 . 1 29 29 DT H6 H 1 7.355 0.002 . 1 . . 699 . A 29 DT H6 . 34665 1 223 . 1 . 1 29 29 DT H71 H 1 1.800 0.0 . 1 . . 771 . A 29 DT H71 . 34665 1 224 . 1 . 1 29 29 DT H72 H 1 1.800 0.0 . 1 . . 771 . A 29 DT H72 . 34665 1 225 . 1 . 1 29 29 DT H73 H 1 1.800 0.0 . 1 . . 771 . A 29 DT H73 . 34665 1 226 . 1 . 1 29 29 DT C6 C 13 139.278 . . 1 . . 848 . A 29 DT C6 . 34665 1 227 . 1 . 1 30 30 DG H1 H 1 12.604 0.003 . 1 . . 750 . A 30 DG H1 . 34665 1 228 . 1 . 1 30 30 DG H1' H 1 5.530 0.001 . 1 . . 675 . A 30 DG H1' . 34665 1 229 . 1 . 1 30 30 DG H2' H 1 2.645 0.001 . 1 . . 811 . A 30 DG H2' . 34665 1 230 . 1 . 1 30 30 DG H2'' H 1 2.731 0.004 . 1 . . 812 . A 30 DG H2'' . 34665 1 231 . 1 . 1 30 30 DG H3' H 1 4.946 0.001 . 1 . . 900 . A 30 DG H3' . 34665 1 232 . 1 . 1 30 30 DG H8 H 1 7.891 0.002 . 1 . . 697 . A 30 DG H8 . 34665 1 233 . 1 . 1 30 30 DG C8 C 13 138.125 . . 1 . . 853 . A 30 DG C8 . 34665 1 234 . 1 . 1 31 31 DA H1' H 1 6.192 0.004 . 1 . . 680 . A 31 DA H1' . 34665 1 235 . 1 . 1 31 31 DA H2 H 1 7.767 0.0 . 1 . . 753 . A 31 DA H2 . 34665 1 236 . 1 . 1 31 31 DA H2' H 1 2.637 0.001 . 1 . . 831 . A 31 DA H2' . 34665 1 237 . 1 . 1 31 31 DA H2'' H 1 2.829 0.001 . 1 . . 814 . A 31 DA H2'' . 34665 1 238 . 1 . 1 31 31 DA H3' H 1 4.965 0.003 . 1 . . 901 . A 31 DA H3' . 34665 1 239 . 1 . 1 31 31 DA H8 H 1 8.155 0.002 . 1 . . 676 . A 31 DA H8 . 34665 1 240 . 1 . 1 31 31 DA C2 C 13 154.887 . . 1 . . 915 . A 31 DA C2 . 34665 1 241 . 1 . 1 31 31 DA C8 C 13 141.866 . . 1 . . 840 . A 31 DA C8 . 34665 1 242 . 1 . 1 32 32 DC H1' H 1 5.682 0.002 . 1 . . 681 . A 32 DC H1' . 34665 1 243 . 1 . 1 32 32 DC H2' H 1 1.765 0.002 . 1 . . 805 . A 32 DC H2' . 34665 1 244 . 1 . 1 32 32 DC H2'' H 1 2.263 0.0 . 1 . . 806 . A 32 DC H2'' . 34665 1 245 . 1 . 1 32 32 DC H3' H 1 4.597 0.002 . 1 . . 902 . A 32 DC H3' . 34665 1 246 . 1 . 1 32 32 DC H5 H 1 5.108 0.002 . 1 . . 673 . A 32 DC H5 . 34665 1 247 . 1 . 1 32 32 DC H6 H 1 7.154 0.001 . 1 . . 674 . A 32 DC H6 . 34665 1 248 . 1 . 1 32 32 DC H41 H 1 7.922 0.002 . 1 . . 724 . A 32 DC H41 . 34665 1 249 . 1 . 1 32 32 DC H42 H 1 6.487 0.001 . 1 . . 725 . A 32 DC H42 . 34665 1 250 . 1 . 1 32 32 DC C6 C 13 141.648 . . 1 . . 835 . A 32 DC C6 . 34665 1 251 . 1 . 1 33 33 DT H1' H 1 5.220 0.007 . 1 . . 702 . A 33 DT H1' . 34665 1 252 . 1 . 1 33 33 DT H2' H 1 1.800 0.003 . 1 . . 803 . A 33 DT H2' . 34665 1 253 . 1 . 1 33 33 DT H2'' H 1 1.992 0.003 . 1 . . 802 . A 33 DT H2'' . 34665 1 254 . 1 . 1 33 33 DT H3' H 1 4.634 0.003 . 1 . . 903 . A 33 DT H3' . 34665 1 255 . 1 . 1 33 33 DT H6 H 1 7.138 0.005 . 1 . . 682 . A 33 DT H6 . 34665 1 256 . 1 . 1 33 33 DT H71 H 1 1.401 0.001 . 1 . . 804 . A 33 DT H71 . 34665 1 257 . 1 . 1 33 33 DT H72 H 1 1.401 0.001 . 1 . . 804 . A 33 DT H72 . 34665 1 258 . 1 . 1 33 33 DT H73 H 1 1.401 0.001 . 1 . . 804 . A 33 DT H73 . 34665 1 259 . 1 . 1 33 33 DT C6 C 13 139.338 . . 1 . . 846 . A 33 DT C6 . 34665 1 260 . 1 . 1 34 34 DA H1' H 1 5.644 0.006 . 1 . . 833 . A 34 DA H1' . 34665 1 261 . 1 . 1 34 34 DA H2' H 1 2.414 0.005 . 1 . . 907 . A 34 DA H2' . 34665 1 262 . 1 . 1 34 34 DA H2'' H 1 2.340 0.002 . 1 . . 832 . A 34 DA H2'' . 34665 1 263 . 1 . 1 34 34 DA H3' H 1 4.783 0.005 . 1 . . 904 . A 34 DA H3' . 34665 1 264 . 1 . 1 34 34 DA H8 H 1 7.703 0.002 . 1 . . 703 . A 34 DA H8 . 34665 1 265 . 1 . 1 34 34 DA C8 C 13 141.186 . . 1 . . 706 . A 34 DA C8 . 34665 1 266 . 1 . 1 35 35 DG H1' H 1 5.948 0.0 . 1 . . 1006 . A 35 DG H1' . 34665 1 267 . 1 . 1 35 35 DG H2' H 1 2.005 0.003 . 1 . . 1007 . A 35 DG H2' . 34665 1 268 . 1 . 1 35 35 DG H2'' H 1 2.400 0.0 . 1 . . 1008 . A 35 DG H2'' . 34665 1 269 . 1 . 1 35 35 DG H8 H 1 7.186 0.002 . 1 . . 905 . A 35 DG H8 . 34665 1 270 . 1 . 1 36 36 DG H1' H 1 6.174 0.003 . 1 . . 878 . A 36 DG H1' . 34665 1 271 . 1 . 1 36 36 DG H2' H 1 2.263 . . 1 . . 1005 . A 36 DG H2' . 34665 1 272 . 1 . 1 36 36 DG H2'' H 1 3.191 0.001 . 1 . . 917 . A 36 DG H2'' . 34665 1 273 . 1 . 1 36 36 DG H8 H 1 7.204 0.003 . 1 . . 877 . A 36 DG H8 . 34665 1 stop_ save_