################################### # 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 34280 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 34280 1 2 '2D 1H-1H NOESY' . . . 34280 1 3 '2D 1H-1H NOESY' . . . 34280 1 4 '2D 1H-1H TOCSY' . . . 34280 1 5 '2D DQF-COSY' . . . 34280 1 6 '2D 1H-13C HSQC' . . . 34280 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 F7H H1' H 1 6.187 0.002 . 1 . . . . A 1 F7H H1' . 34280 1 2 . 1 1 1 1 F7H H2' H 1 2.882 0.002 . 1 . . . . A 1 F7H H2' . 34280 1 3 . 1 1 1 1 F7H H2'' H 1 3.301 0.002 . 1 . . . . A 1 F7H H2'' . 34280 1 4 . 1 1 1 1 F7H H4' H 1 4.734 0.003 . 1 . . . . A 1 F7H H4' . 34280 1 5 . 1 1 1 1 F7H H6 H 1 7.933 0.001 . 1 . . . . A 1 F7H H6 . 34280 1 6 . 1 1 1 1 F7H H6' H 1 1.928 0.003 . 1 . . . . A 1 F7H H6' . 34280 1 7 . 1 1 1 1 F7H H7' H 1 2.278 0.002 . 1 . . . . A 1 F7H H7' . 34280 1 8 . 1 1 1 1 F7H H7'' H 1 2.453 0.002 . 1 . . . . A 1 F7H H7'' . 34280 1 9 . 1 1 1 1 F7H H8' H 1 1.106 0.001 . 1 . . . . A 1 F7H H8' . 34280 1 10 . 1 1 1 1 F7H H8'' H 1 1.818 0.001 . 1 . . . . A 1 F7H H8'' . 34280 1 11 . 1 1 1 1 F7H H71 H 1 2.127 0.002 . 1 . . . . A 1 F7H H71 . 34280 1 12 . 1 1 1 1 F7H H72 H 1 2.127 0.002 . 1 . . . . A 1 F7H H72 . 34280 1 13 . 1 1 1 1 F7H H73 H 1 2.127 0.002 . 1 . . . . A 1 F7H H73 . 34280 1 14 . 1 1 1 1 F7H C1' C 13 89.614 0.000 . 1 . . . . A 1 F7H C1' . 34280 1 15 . 1 1 1 1 F7H C2' C 13 45.754 0.003 . 1 . . . . A 1 F7H C2' . 34280 1 16 . 1 1 1 1 F7H C4' C 13 92.956 0.000 . 1 . . . . A 1 F7H C4' . 34280 1 17 . 1 1 1 1 F7H C6' C 13 25.800 0.000 . 1 . . . . A 1 F7H C6' . 34280 1 18 . 1 1 1 1 F7H C7 C 13 14.971 0.000 . 1 . . . . A 1 F7H C7 . 34280 1 19 . 1 1 1 1 F7H C7' C 13 42.525 0.006 . 1 . . . . A 1 F7H C7' . 34280 1 20 . 1 1 1 1 F7H C8' C 13 18.974 0.051 . 1 . . . . A 1 F7H C8' . 34280 1 21 . 1 1 2 2 EAN H1' H 1 6.062 0.001 . 1 . . . . A 2 EAN H1' . 34280 1 22 . 1 1 2 2 EAN H2' H 1 2.878 0.003 . 1 . . . . A 2 EAN H2' . 34280 1 23 . 1 1 2 2 EAN H2'' H 1 3.292 0.005 . 1 . . . . A 2 EAN H2'' . 34280 1 24 . 1 1 2 2 EAN H3 H 1 14.042 0.001 . 1 . . . . A 2 EAN H3 . 34280 1 25 . 1 1 2 2 EAN H4' H 1 4.870 0.001 . 1 . . . . A 2 EAN H4' . 34280 1 26 . 1 1 2 2 EAN H6 H 1 7.688 0.001 . 1 . . . . A 2 EAN H6 . 34280 1 27 . 1 1 2 2 EAN H6' H 1 2.013 0.006 . 1 . . . . A 2 EAN H6' . 34280 1 28 . 1 1 2 2 EAN H7' H 1 2.000 0.001 . 1 . . . . A 2 EAN H7' . 34280 1 29 . 1 1 2 2 EAN H7'' H 1 2.751 0.002 . 1 . . . . A 2 EAN H7'' . 34280 1 30 . 1 1 2 2 EAN H8' H 1 1.334 0.002 . 1 . . . . A 2 EAN H8' . 34280 1 31 . 1 1 2 2 EAN H8'' H 1 1.778 0.003 . 1 . . . . A 2 EAN H8'' . 34280 1 32 . 1 1 2 2 EAN H71 H 1 1.824 0.001 . 1 . . . . A 2 EAN H71 . 34280 1 33 . 1 1 2 2 EAN H72 H 1 1.824 0.001 . 1 . . . . A 2 EAN H72 . 34280 1 34 . 1 1 2 2 EAN H73 H 1 1.824 0.001 . 1 . . . . A 2 EAN H73 . 34280 1 35 . 1 1 2 2 EAN C1' C 13 91.882 0.000 . 1 . . . . A 2 EAN C1' . 34280 1 36 . 1 1 3 3 TCJ H1' H 1 6.083 0.001 . 1 . . . . A 3 TCJ H1' . 34280 1 37 . 1 1 3 3 TCJ H2' H 1 3.184 0.000 . 1 . . . . A 3 TCJ H2' . 34280 1 38 . 1 1 3 3 TCJ H2'' H 1 3.220 0.005 . 1 . . . . A 3 TCJ H2'' . 34280 1 39 . 1 1 3 3 TCJ H4' H 1 4.914 0.002 . 1 . . . . A 3 TCJ H4' . 34280 1 40 . 1 1 3 3 TCJ H6 H 1 7.615 0.001 . 1 . . . . A 3 TCJ H6 . 34280 1 41 . 1 1 3 3 TCJ H6' H 1 2.017 0.003 . 1 . . . . A 3 TCJ H6' . 34280 1 42 . 1 1 3 3 TCJ H7' H 1 2.102 0.003 . 1 . . . . A 3 TCJ H7' . 34280 1 43 . 1 1 3 3 TCJ H7'' H 1 2.634 0.002 . 1 . . . . A 3 TCJ H7'' . 34280 1 44 . 1 1 3 3 TCJ H8' H 1 1.325 0.002 . 1 . . . . A 3 TCJ H8' . 34280 1 45 . 1 1 3 3 TCJ H8'' H 1 1.782 0.002 . 1 . . . . A 3 TCJ H8'' . 34280 1 46 . 1 1 3 3 TCJ H41 H 1 8.991 0.003 . 1 . . . . A 3 TCJ H41 . 34280 1 47 . 1 1 3 3 TCJ H42 H 1 6.737 0.001 . 1 . . . . A 3 TCJ H42 . 34280 1 48 . 1 1 3 3 TCJ H71 H 1 1.922 0.002 . 1 . . . . A 3 TCJ H71 . 34280 1 49 . 1 1 3 3 TCJ H72 H 1 1.922 0.002 . 1 . . . . A 3 TCJ H72 . 34280 1 50 . 1 1 3 3 TCJ H73 H 1 1.922 0.002 . 1 . . . . A 3 TCJ H73 . 34280 1 51 . 1 1 3 3 TCJ C1' C 13 91.853 0.000 . 1 . . . . A 3 TCJ C1' . 34280 1 52 . 1 1 3 3 TCJ C4' C 13 93.413 0.000 . 1 . . . . A 3 TCJ C4' . 34280 1 53 . 1 1 3 3 TCJ C7' C 13 40.833 0.009 . 1 . . . . A 3 TCJ C7' . 34280 1 54 . 1 1 4 4 F4Q H1 H 1 13.044 0.002 . 1 . . . . A 4 F4Q H1 . 34280 1 55 . 1 1 4 4 F4Q H1' H 1 6.158 0.002 . 1 . . . . A 4 F4Q H1' . 34280 1 56 . 1 1 4 4 F4Q H2' H 1 3.209 0.003 . 1 . . . . A 4 F4Q H2' . 34280 1 57 . 1 1 4 4 F4Q H2'' H 1 3.285 0.003 . 1 . . . . A 4 F4Q H2'' . 34280 1 58 . 1 1 4 4 F4Q H4' H 1 4.881 0.001 . 1 . . . . A 4 F4Q H4' . 34280 1 59 . 1 1 4 4 F4Q H6' H 1 1.920 0.002 . 1 . . . . A 4 F4Q H6' . 34280 1 60 . 1 1 4 4 F4Q H7' H 1 1.722 0.002 . 1 . . . . A 4 F4Q H7' . 34280 1 61 . 1 1 4 4 F4Q H7'' H 1 2.538 0.001 . 1 . . . . A 4 F4Q H7'' . 34280 1 62 . 1 1 4 4 F4Q H8 H 1 7.709 0.001 . 1 . . . . A 4 F4Q H8 . 34280 1 63 . 1 1 4 4 F4Q H8' H 1 1.222 0.001 . 1 . . . . A 4 F4Q H8' . 34280 1 64 . 1 1 4 4 F4Q H8'' H 1 1.777 0.004 . 1 . . . . A 4 F4Q H8'' . 34280 1 65 . 1 1 4 4 F4Q C1' C 13 90.521 0.000 . 1 . . . . A 4 F4Q C1' . 34280 1 66 . 1 1 4 4 F4Q C7' C 13 41.312 0.012 . 1 . . . . A 4 F4Q C7' . 34280 1 67 . 1 1 5 5 F4Q H1 H 1 13.098 0.001 . 1 . . . . A 5 F4Q H1 . 34280 1 68 . 1 1 5 5 F4Q H1' H 1 6.236 0.002 . 1 . . . . A 5 F4Q H1' . 34280 1 69 . 1 1 5 5 F4Q H2' H 1 3.140 0.002 . 1 . . . . A 5 F4Q H2' . 34280 1 70 . 1 1 5 5 F4Q H2'' H 1 3.273 0.003 . 1 . . . . A 5 F4Q H2'' . 34280 1 71 . 1 1 5 5 F4Q H4' H 1 4.858 0.002 . 1 . . . . A 5 F4Q H4' . 34280 1 72 . 1 1 5 5 F4Q H6' H 1 1.923 0.002 . 1 . . . . A 5 F4Q H6' . 34280 1 73 . 1 1 5 5 F4Q H7' H 1 1.538 0.002 . 1 . . . . A 5 F4Q H7' . 34280 1 74 . 1 1 5 5 F4Q H7'' H 1 2.674 0.002 . 1 . . . . A 5 F4Q H7'' . 34280 1 75 . 1 1 5 5 F4Q H8 H 1 7.381 0.001 . 1 . . . . A 5 F4Q H8 . 34280 1 76 . 1 1 5 5 F4Q H8' H 1 1.223 0.002 . 1 . . . . A 5 F4Q H8' . 34280 1 77 . 1 1 5 5 F4Q H8'' H 1 1.776 0.004 . 1 . . . . A 5 F4Q H8'' . 34280 1 78 . 1 1 5 5 F4Q C1' C 13 90.672 0.000 . 1 . . . . A 5 F4Q C1' . 34280 1 79 . 1 1 6 6 TCJ H1' H 1 5.935 0.002 . 1 . . . . A 6 TCJ H1' . 34280 1 80 . 1 1 6 6 TCJ H2' H 1 3.122 0.002 . 1 . . . . A 6 TCJ H2' . 34280 1 81 . 1 1 6 6 TCJ H2'' H 1 3.211 0.003 . 1 . . . . A 6 TCJ H2'' . 34280 1 82 . 1 1 6 6 TCJ H4' H 1 4.825 0.001 . 1 . . . . A 6 TCJ H4' . 34280 1 83 . 1 1 6 6 TCJ H6 H 1 7.297 0.001 . 1 . . . . A 6 TCJ H6 . 34280 1 84 . 1 1 6 6 TCJ H6' H 1 1.897 0.003 . 1 . . . . A 6 TCJ H6' . 34280 1 85 . 1 1 6 6 TCJ H7' H 1 1.800 0.005 . 1 . . . . A 6 TCJ H7' . 34280 1 86 . 1 1 6 6 TCJ H7'' H 1 2.677 0.002 . 1 . . . . A 6 TCJ H7'' . 34280 1 87 . 1 1 6 6 TCJ H8' H 1 1.288 0.002 . 1 . . . . A 6 TCJ H8' . 34280 1 88 . 1 1 6 6 TCJ H8'' H 1 1.772 0.002 . 1 . . . . A 6 TCJ H8'' . 34280 1 89 . 1 1 6 6 TCJ H41 H 1 8.718 0.004 . 1 . . . . A 6 TCJ H41 . 34280 1 90 . 1 1 6 6 TCJ H42 H 1 6.728 0.002 . 1 . . . . A 6 TCJ H42 . 34280 1 91 . 1 1 6 6 TCJ H71 H 1 1.594 0.002 . 1 . . . . A 6 TCJ H71 . 34280 1 92 . 1 1 6 6 TCJ H72 H 1 1.594 0.002 . 1 . . . . A 6 TCJ H72 . 34280 1 93 . 1 1 6 6 TCJ H73 H 1 1.594 0.002 . 1 . . . . A 6 TCJ H73 . 34280 1 94 . 1 1 6 6 TCJ C1' C 13 91.999 0.000 . 1 . . . . A 6 TCJ C1' . 34280 1 95 . 1 1 6 6 TCJ C4' C 13 92.906 0.000 . 1 . . . . A 6 TCJ C4' . 34280 1 96 . 1 1 6 6 TCJ C6' C 13 24.883 0.000 . 1 . . . . A 6 TCJ C6' . 34280 1 97 . 1 1 7 7 EAN H1' H 1 6.014 0.002 . 1 . . . . A 7 EAN H1' . 34280 1 98 . 1 1 7 7 EAN H2' H 1 3.125 0.001 . 1 . . . . A 7 EAN H2' . 34280 1 99 . 1 1 7 7 EAN H2'' H 1 3.296 0.002 . 1 . . . . A 7 EAN H2'' . 34280 1 100 . 1 1 7 7 EAN H3 H 1 14.404 0.001 . 1 . . . . A 7 EAN H3 . 34280 1 101 . 1 1 7 7 EAN H4' H 1 4.852 0.003 . 1 . . . . A 7 EAN H4' . 34280 1 102 . 1 1 7 7 EAN H6 H 1 7.592 0.001 . 1 . . . . A 7 EAN H6 . 34280 1 103 . 1 1 7 7 EAN H6' H 1 1.998 0.002 . 1 . . . . A 7 EAN H6' . 34280 1 104 . 1 1 7 7 EAN H7' H 1 1.946 0.002 . 1 . . . . A 7 EAN H7' . 34280 1 105 . 1 1 7 7 EAN H7'' H 1 2.763 0.003 . 1 . . . . A 7 EAN H7'' . 34280 1 106 . 1 1 7 7 EAN H8' H 1 1.332 0.002 . 1 . . . . A 7 EAN H8' . 34280 1 107 . 1 1 7 7 EAN H71 H 1 1.740 0.002 . 1 . . . . A 7 EAN H71 . 34280 1 108 . 1 1 7 7 EAN H72 H 1 1.740 0.002 . 1 . . . . A 7 EAN H72 . 34280 1 109 . 1 1 7 7 EAN H73 H 1 1.740 0.002 . 1 . . . . A 7 EAN H73 . 34280 1 110 . 1 1 7 7 EAN C1' C 13 92.001 0.000 . 1 . . . . A 7 EAN C1' . 34280 1 111 . 1 1 8 8 EAN H1' H 1 6.129 0.001 . 1 . . . . A 8 EAN H1' . 34280 1 112 . 1 1 8 8 EAN H2' H 1 3.125 0.003 . 1 . . . . A 8 EAN H2' . 34280 1 113 . 1 1 8 8 EAN H2'' H 1 3.337 0.002 . 1 . . . . A 8 EAN H2'' . 34280 1 114 . 1 1 8 8 EAN H3 H 1 13.879 0.007 . 1 . . . . A 8 EAN H3 . 34280 1 115 . 1 1 8 8 EAN H4' H 1 4.941 0.001 . 1 . . . . A 8 EAN H4' . 34280 1 116 . 1 1 8 8 EAN H6 H 1 7.736 0.001 . 1 . . . . A 8 EAN H6 . 34280 1 117 . 1 1 8 8 EAN H6' H 1 2.055 0.002 . 1 . . . . A 8 EAN H6' . 34280 1 118 . 1 1 8 8 EAN H7' H 1 2.156 0.002 . 1 . . . . A 8 EAN H7' . 34280 1 119 . 1 1 8 8 EAN H7'' H 1 2.756 0.001 . 1 . . . . A 8 EAN H7'' . 34280 1 120 . 1 1 8 8 EAN H8' H 1 1.343 0.004 . 1 . . . . A 8 EAN H8' . 34280 1 121 . 1 1 8 8 EAN H8'' H 1 1.823 0.003 . 1 . . . . A 8 EAN H8'' . 34280 1 122 . 1 1 8 8 EAN H71 H 1 1.925 0.003 . 1 . . . . A 8 EAN H71 . 34280 1 123 . 1 1 8 8 EAN H72 H 1 1.925 0.003 . 1 . . . . A 8 EAN H72 . 34280 1 124 . 1 1 8 8 EAN H73 H 1 1.925 0.003 . 1 . . . . A 8 EAN H73 . 34280 1 125 . 1 1 8 8 EAN C1' C 13 91.764 0.000 . 1 . . . . A 8 EAN C1' . 34280 1 126 . 1 1 9 9 TCY H1' H 1 6.571 0.002 . 1 . . . . A 9 TCY H1' . 34280 1 127 . 1 1 9 9 TCY H2 H 1 7.386 0.001 . 1 . . . . A 9 TCY H2 . 34280 1 128 . 1 1 9 9 TCY H2' H 1 3.269 0.002 . 1 . . . . A 9 TCY H2' . 34280 1 129 . 1 1 9 9 TCY H2'A H 1 3.460 0.002 . 1 . . . . A 9 TCY H2'A . 34280 1 130 . 1 1 9 9 TCY H6' H 1 1.991 0.002 . 1 . . . . A 9 TCY H6' . 34280 1 131 . 1 1 9 9 TCY H7' H 1 1.706 0.003 . 1 . . . . A 9 TCY H7' . 34280 1 132 . 1 1 9 9 TCY H7'A H 1 2.744 0.003 . 1 . . . . A 9 TCY H7'A . 34280 1 133 . 1 1 9 9 TCY H8 H 1 8.162 0.000 . 1 . . . . A 9 TCY H8 . 34280 1 134 . 1 1 9 9 TCY H8' H 1 1.309 0.001 . 1 . . . . A 9 TCY H8' . 34280 1 135 . 1 1 9 9 TCY H8'A H 1 1.844 0.002 . 1 . . . . A 9 TCY H8'A . 34280 1 136 . 1 1 9 9 TCY C1' C 13 90.987 0.000 . 1 . . . . A 9 TCY C1' . 34280 1 137 . 1 1 9 9 TCY HN6 H 1 8.477 0.006 . 1 . . . . A 9 TCY HN6 . 34280 1 138 . 1 1 9 9 TCY HN6A H 1 6.620 0.003 . 1 . . . . A 9 TCY HN6A . 34280 1 139 . 1 1 10 10 TCJ H1' H 1 5.876 0.002 . 1 . . . . A 10 TCJ H1' . 34280 1 140 . 1 1 10 10 TCJ H2' H 1 2.401 0.002 . 1 . . . . A 10 TCJ H2' . 34280 1 141 . 1 1 10 10 TCJ H2'' H 1 2.768 0.003 . 1 . . . . A 10 TCJ H2'' . 34280 1 142 . 1 1 10 10 TCJ H4' H 1 4.720 0.001 . 1 . . . . A 10 TCJ H4' . 34280 1 143 . 1 1 10 10 TCJ H6 H 1 7.260 0.001 . 1 . . . . A 10 TCJ H6 . 34280 1 144 . 1 1 10 10 TCJ H6' H 1 1.836 0.003 . 1 . . . . A 10 TCJ H6' . 34280 1 145 . 1 1 10 10 TCJ H7' H 1 1.702 0.000 . 1 . . . . A 10 TCJ H7' . 34280 1 146 . 1 1 10 10 TCJ H7'' H 1 1.967 0.002 . 1 . . . . A 10 TCJ H7'' . 34280 1 147 . 1 1 10 10 TCJ H8' H 1 1.156 0.002 . 1 . . . . A 10 TCJ H8' . 34280 1 148 . 1 1 10 10 TCJ H8'' H 1 1.697 0.002 . 1 . . . . A 10 TCJ H8'' . 34280 1 149 . 1 1 10 10 TCJ H41 H 1 8.815 0.002 . 1 . . . . A 10 TCJ H41 . 34280 1 150 . 1 1 10 10 TCJ H42 H 1 6.943 0.001 . 1 . . . . A 10 TCJ H42 . 34280 1 151 . 1 1 10 10 TCJ H71 H 1 1.648 0.002 . 1 . . . . A 10 TCJ H71 . 34280 1 152 . 1 1 10 10 TCJ H72 H 1 1.648 0.002 . 1 . . . . A 10 TCJ H72 . 34280 1 153 . 1 1 10 10 TCJ H73 H 1 1.648 0.002 . 1 . . . . A 10 TCJ H73 . 34280 1 154 . 1 1 10 10 TCJ C1' C 13 90.798 0.000 . 1 . . . . A 10 TCJ C1' . 34280 1 155 . 1 1 10 10 TCJ C2' C 13 49.880 0.025 . 1 . . . . A 10 TCJ C2' . 34280 1 156 . 1 1 10 10 TCJ C4' C 13 91.973 0.000 . 1 . . . . A 10 TCJ C4' . 34280 1 157 . 1 1 10 10 TCJ C6' C 13 25.442 0.000 . 1 . . . . A 10 TCJ C6' . 34280 1 158 . 1 1 10 10 TCJ C8' C 13 17.153 0.000 . 1 . . . . A 10 TCJ C8' . 34280 1 159 . 2 2 1 1 DG H1 H 1 13.652 0.001 . 1 . . . . B 11 DG H1 . 34280 1 160 . 2 2 1 1 DG H1' H 1 6.287 0.002 . 1 . . . . B 11 DG H1' . 34280 1 161 . 2 2 1 1 DG H2' H 1 3.025 0.003 . 1 . . . . B 11 DG H2' . 34280 1 162 . 2 2 1 1 DG H2'' H 1 3.104 0.003 . 1 . . . . B 11 DG H2'' . 34280 1 163 . 2 2 1 1 DG H4' H 1 4.473 0.001 . 1 . . . . B 11 DG H4' . 34280 1 164 . 2 2 1 1 DG H5' H 1 4.162 0.002 . 1 . . . . B 11 DG H5' . 34280 1 165 . 2 2 1 1 DG H5'' H 1 4.063 0.003 . 1 . . . . B 11 DG H5'' . 34280 1 166 . 2 2 1 1 DG H8 H 1 8.228 0.001 . 1 . . . . B 11 DG H8 . 34280 1 167 . 2 2 1 1 DG C1' C 13 87.527 0.000 . 1 . . . . B 11 DG C1' . 34280 1 168 . 2 2 1 1 DG C4' C 13 88.324 0.000 . 1 . . . . B 11 DG C4' . 34280 1 169 . 2 2 1 1 DG C5' C 13 63.151 0.006 . 1 . . . . B 11 DG C5' . 34280 1 170 . 2 2 2 2 DT H1' H 1 6.387 0.002 . 1 . . . . B 12 DT H1' . 34280 1 171 . 2 2 2 2 DT H2' H 1 2.607 0.001 . 1 . . . . B 12 DT H2' . 34280 1 172 . 2 2 2 2 DT H2'' H 1 3.008 0.003 . 1 . . . . B 12 DT H2'' . 34280 1 173 . 2 2 2 2 DT H3 H 1 13.861 0.000 . 1 . . . . B 12 DT H3 . 34280 1 174 . 2 2 2 2 DT H3' H 1 5.208 0.002 . 1 . . . . B 12 DT H3' . 34280 1 175 . 2 2 2 2 DT H4' H 1 4.629 0.001 . 1 . . . . B 12 DT H4' . 34280 1 176 . 2 2 2 2 DT H5' H 1 4.415 0.003 . 2 . . . . B 12 DT H5' . 34280 1 177 . 2 2 2 2 DT H5'' H 1 4.416 0.000 . 2 . . . . B 12 DT H5'' . 34280 1 178 . 2 2 2 2 DT H6 H 1 7.821 0.001 . 1 . . . . B 12 DT H6 . 34280 1 179 . 2 2 2 2 DT H71 H 1 1.509 0.002 . 1 . . . . B 12 DT H71 . 34280 1 180 . 2 2 2 2 DT H72 H 1 1.509 0.002 . 1 . . . . B 12 DT H72 . 34280 1 181 . 2 2 2 2 DT H73 H 1 1.509 0.002 . 1 . . . . B 12 DT H73 . 34280 1 182 . 2 2 2 2 DT C1' C 13 86.271 0.000 . 1 . . . . B 12 DT C1' . 34280 1 183 . 2 2 2 2 DT C3' C 13 79.717 0.000 . 1 . . . . B 12 DT C3' . 34280 1 184 . 2 2 2 2 DT C4' C 13 87.007 0.000 . 1 . . . . B 12 DT C4' . 34280 1 185 . 2 2 3 3 DA H1' H 1 6.369 0.002 . 1 . . . . B 13 DA H1' . 34280 1 186 . 2 2 3 3 DA H2 H 1 6.749 0.001 . 1 . . . . B 13 DA H2 . 34280 1 187 . 2 2 3 3 DA H2' H 1 2.970 0.002 . 1 . . . . B 13 DA H2' . 34280 1 188 . 2 2 3 3 DA H2'' H 1 3.225 0.002 . 1 . . . . B 13 DA H2'' . 34280 1 189 . 2 2 3 3 DA H3' H 1 5.322 0.002 . 1 . . . . B 13 DA H3' . 34280 1 190 . 2 2 3 3 DA H4' H 1 4.677 0.001 . 1 . . . . B 13 DA H4' . 34280 1 191 . 2 2 3 3 DA H5' H 1 4.380 0.002 . 1 . . . . B 13 DA H5' . 34280 1 192 . 2 2 3 3 DA H5'' H 1 4.516 0.003 . 1 . . . . B 13 DA H5'' . 34280 1 193 . 2 2 3 3 DA H8 H 1 8.451 0.002 . 1 . . . . B 13 DA H8 . 34280 1 194 . 2 2 3 3 DA H61 H 1 8.135 0.000 . 1 . . . . B 13 DA H61 . 34280 1 195 . 2 2 3 3 DA H62 H 1 6.489 0.000 . 1 . . . . B 13 DA H62 . 34280 1 196 . 2 2 3 3 DA C1' C 13 84.803 0.000 . 1 . . . . B 13 DA C1' . 34280 1 197 . 2 2 3 3 DA C3' C 13 79.389 0.000 . 1 . . . . B 13 DA C3' . 34280 1 198 . 2 2 3 3 DA C4' C 13 87.087 0.000 . 1 . . . . B 13 DA C4' . 34280 1 199 . 2 2 4 4 DA H1' H 1 6.239 0.002 . 1 . . . . B 14 DA H1' . 34280 1 200 . 2 2 4 4 DA H2 H 1 7.476 0.000 . 1 . . . . B 14 DA H2 . 34280 1 201 . 2 2 4 4 DA H2' H 1 2.907 0.002 . 1 . . . . B 14 DA H2' . 34280 1 202 . 2 2 4 4 DA H2'' H 1 3.025 0.003 . 1 . . . . B 14 DA H2'' . 34280 1 203 . 2 2 4 4 DA H3' H 1 5.294 0.002 . 1 . . . . B 14 DA H3' . 34280 1 204 . 2 2 4 4 DA H4' H 1 4.691 0.002 . 1 . . . . B 14 DA H4' . 34280 1 205 . 2 2 4 4 DA H5' H 1 4.510 0.003 . 2 . . . . B 14 DA H5' . 34280 1 206 . 2 2 4 4 DA H5'' H 1 4.510 0.001 . 2 . . . . B 14 DA H5'' . 34280 1 207 . 2 2 4 4 DA H8 H 1 8.197 0.003 . 1 . . . . B 14 DA H8 . 34280 1 208 . 2 2 4 4 DA H61 H 1 8.023 0.000 . 1 . . . . B 14 DA H61 . 34280 1 209 . 2 2 4 4 DA H62 H 1 6.439 0.000 . 1 . . . . B 14 DA H62 . 34280 1 210 . 2 2 4 4 DA C1' C 13 84.233 0.000 . 1 . . . . B 14 DA C1' . 34280 1 211 . 2 2 4 4 DA C3' C 13 78.092 0.000 . 1 . . . . B 14 DA C3' . 34280 1 212 . 2 2 4 4 DA C4' C 13 86.882 0.000 . 1 . . . . B 14 DA C4' . 34280 1 213 . 2 2 4 4 DA C5' C 13 68.087 0.000 . 1 . . . . B 14 DA C5' . 34280 1 214 . 2 2 5 5 DG H1 H 1 13.266 0.001 . 1 . . . . B 15 DG H1 . 34280 1 215 . 2 2 5 5 DG H1' H 1 6.127 0.001 . 1 . . . . B 15 DG H1' . 34280 1 216 . 2 2 5 5 DG H2' H 1 2.749 0.002 . 1 . . . . B 15 DG H2' . 34280 1 217 . 2 2 5 5 DG H2'' H 1 2.915 0.002 . 1 . . . . B 15 DG H2'' . 34280 1 218 . 2 2 5 5 DG H3' H 1 5.135 0.002 . 1 . . . . B 15 DG H3' . 34280 1 219 . 2 2 5 5 DG H4' H 1 4.634 0.001 . 1 . . . . B 15 DG H4' . 34280 1 220 . 2 2 5 5 DG H5' H 1 4.469 0.001 . 2 . . . . B 15 DG H5' . 34280 1 221 . 2 2 5 5 DG H5'' H 1 4.469 0.001 . 3 . . . . B 15 DG H5'' . 34280 1 222 . 2 2 5 5 DG H8 H 1 7.779 0.001 . 1 . . . . B 15 DG H8 . 34280 1 223 . 2 2 5 5 DG C1' C 13 84.846 0.000 . 1 . . . . B 15 DG C1' . 34280 1 224 . 2 2 5 5 DG C3' C 13 77.925 0.000 . 1 . . . . B 15 DG C3' . 34280 1 225 . 2 2 5 5 DG C5' C 13 68.086 0.000 . 1 . . . . B 15 DG C5' . 34280 1 226 . 2 2 6 6 DC H1' H 1 6.192 0.002 . 1 . . . . B 16 DC H1' . 34280 1 227 . 2 2 6 6 DC H2' H 1 2.442 0.004 . 1 . . . . B 16 DC H2' . 34280 1 228 . 2 2 6 6 DC H2'' H 1 2.757 0.003 . 1 . . . . B 16 DC H2'' . 34280 1 229 . 2 2 6 6 DC H3' H 1 5.314 0.000 . 1 . . . . B 16 DC H3' . 34280 1 230 . 2 2 6 6 DC H4' H 1 4.447 0.003 . 1 . . . . B 16 DC H4' . 34280 1 231 . 2 2 6 6 DC H5 H 1 5.278 0.002 . 1 . . . . B 16 DC H5 . 34280 1 232 . 2 2 6 6 DC H5' H 1 4.476 0.004 . 1 . . . . B 16 DC H5' . 34280 1 233 . 2 2 6 6 DC H5'' H 1 4.381 0.003 . 1 . . . . B 16 DC H5'' . 34280 1 234 . 2 2 6 6 DC H6 H 1 7.528 0.001 . 1 . . . . B 16 DC H6 . 34280 1 235 . 2 2 6 6 DC H41 H 1 8.229 0.006 . 1 . . . . B 16 DC H41 . 34280 1 236 . 2 2 6 6 DC H42 H 1 6.635 0.004 . 1 . . . . B 16 DC H42 . 34280 1 237 . 2 2 6 6 DC C1' C 13 86.668 0.000 . 1 . . . . B 16 DC C1' . 34280 1 238 . 2 2 6 6 DC C4' C 13 85.448 0.000 . 1 . . . . B 16 DC C4' . 34280 1 239 . 2 2 6 6 DC C5 C 13 97.328 0.000 . 1 . . . . B 16 DC C5 . 34280 1 240 . 2 2 6 6 DC C5' C 13 66.935 0.002 . 1 . . . . B 16 DC C5' . 34280 1 241 . 2 2 7 7 DC H1' H 1 6.149 0.003 . 1 . . . . B 17 DC H1' . 34280 1 242 . 2 2 7 7 DC H2' H 1 2.470 0.004 . 1 . . . . B 17 DC H2' . 34280 1 243 . 2 2 7 7 DC H2'' H 1 2.776 0.002 . 1 . . . . B 17 DC H2'' . 34280 1 244 . 2 2 7 7 DC H3' H 1 5.072 0.002 . 1 . . . . B 17 DC H3' . 34280 1 245 . 2 2 7 7 DC H4' H 1 4.418 0.002 . 1 . . . . B 17 DC H4' . 34280 1 246 . 2 2 7 7 DC H5 H 1 5.634 0.002 . 1 . . . . B 17 DC H5 . 34280 1 247 . 2 2 7 7 DC H5' H 1 4.364 0.001 . 2 . . . . B 17 DC H5' . 34280 1 248 . 2 2 7 7 DC H5'' H 1 4.364 0.002 . 2 . . . . B 17 DC H5'' . 34280 1 249 . 2 2 7 7 DC H6 H 1 7.679 0.003 . 1 . . . . B 17 DC H6 . 34280 1 250 . 2 2 7 7 DC H41 H 1 8.578 0.003 . 1 . . . . B 17 DC H41 . 34280 1 251 . 2 2 7 7 DC H42 H 1 6.947 0.000 . 1 . . . . B 17 DC H42 . 34280 1 252 . 2 2 7 7 DC C1' C 13 86.644 0.000 . 1 . . . . B 17 DC C1' . 34280 1 253 . 2 2 7 7 DC C3' C 13 77.086 0.000 . 1 . . . . B 17 DC C3' . 34280 1 254 . 2 2 7 7 DC C5 C 13 98.273 0.000 . 1 . . . . B 17 DC C5 . 34280 1 255 . 2 2 7 7 DC C5' C 13 67.158 0.000 . 1 . . . . B 17 DC C5' . 34280 1 256 . 2 2 8 8 DG H1 H 1 12.630 0.001 . 1 . . . . B 18 DG H1 . 34280 1 257 . 2 2 8 8 DG H1' H 1 6.038 0.002 . 1 . . . . B 18 DG H1' . 34280 1 258 . 2 2 8 8 DG H2' H 1 2.788 0.002 . 1 . . . . B 18 DG H2' . 34280 1 259 . 2 2 8 8 DG H2'' H 1 3.044 0.004 . 1 . . . . B 18 DG H2'' . 34280 1 260 . 2 2 8 8 DG H3' H 1 5.206 0.001 . 1 . . . . B 18 DG H3' . 34280 1 261 . 2 2 8 8 DG H4' H 1 4.588 0.002 . 1 . . . . B 18 DG H4' . 34280 1 262 . 2 2 8 8 DG H5' H 1 4.322 0.003 . 1 . . . . B 18 DG H5' . 34280 1 263 . 2 2 8 8 DG H5'' H 1 4.404 0.003 . 1 . . . . B 18 DG H5'' . 34280 1 264 . 2 2 8 8 DG H8 H 1 7.950 0.001 . 1 . . . . B 18 DG H8 . 34280 1 265 . 2 2 8 8 DG C1' C 13 84.681 0.000 . 1 . . . . B 18 DG C1' . 34280 1 266 . 2 2 8 8 DG C3' C 13 79.971 0.000 . 1 . . . . B 18 DG C3' . 34280 1 267 . 2 2 8 8 DG C4' C 13 87.098 0.000 . 1 . . . . B 18 DG C4' . 34280 1 268 . 2 2 8 8 DG C5' C 13 68.380 0.016 . 1 . . . . B 18 DG C5' . 34280 1 269 . 2 2 9 9 DA H1' H 1 6.295 0.002 . 1 . . . . B 19 DA H1' . 34280 1 270 . 2 2 9 9 DA H2 H 1 7.840 0.000 . 1 . . . . B 19 DA H2 . 34280 1 271 . 2 2 9 9 DA H2' H 1 2.802 0.002 . 1 . . . . B 19 DA H2' . 34280 1 272 . 2 2 9 9 DA H2'' H 1 3.049 0.002 . 1 . . . . B 19 DA H2'' . 34280 1 273 . 2 2 9 9 DA H3' H 1 5.258 0.002 . 1 . . . . B 19 DA H3' . 34280 1 274 . 2 2 9 9 DA H4' H 1 4.635 0.003 . 1 . . . . B 19 DA H4' . 34280 1 275 . 2 2 9 9 DA H5' H 1 4.420 0.002 . 1 . . . . B 19 DA H5' . 34280 1 276 . 2 2 9 9 DA H5'' H 1 4.460 0.008 . 1 . . . . B 19 DA H5'' . 34280 1 277 . 2 2 9 9 DA H8 H 1 8.229 0.001 . 1 . . . . B 19 DA H8 . 34280 1 278 . 2 2 9 9 DA H61 H 1 8.207 0.010 . 1 . . . . B 19 DA H61 . 34280 1 279 . 2 2 9 9 DA H62 H 1 6.345 0.003 . 1 . . . . B 19 DA H62 . 34280 1 280 . 2 2 9 9 DA C1' C 13 84.778 0.000 . 1 . . . . B 19 DA C1' . 34280 1 281 . 2 2 9 9 DA C3' C 13 78.642 0.000 . 1 . . . . B 19 DA C3' . 34280 1 282 . 2 2 9 9 DA C4' C 13 86.653 0.000 . 1 . . . . B 19 DA C4' . 34280 1 283 . 2 2 10 10 DG H1' H 1 6.293 0.002 . 1 . . . . B 20 DG H1' . 34280 1 284 . 2 2 10 10 DG H2' H 1 2.657 0.003 . 1 . . . . B 20 DG H2' . 34280 1 285 . 2 2 10 10 DG H2'' H 1 2.483 0.003 . 1 . . . . B 20 DG H2'' . 34280 1 286 . 2 2 10 10 DG H3' H 1 4.855 0.001 . 1 . . . . B 20 DG H3' . 34280 1 287 . 2 2 10 10 DG H4' H 1 4.413 0.002 . 1 . . . . B 20 DG H4' . 34280 1 288 . 2 2 10 10 DG H5' H 1 4.351 0.003 . 1 . . . . B 20 DG H5' . 34280 1 289 . 2 2 10 10 DG H5'' H 1 4.429 0.004 . 1 . . . . B 20 DG H5'' . 34280 1 290 . 2 2 10 10 DG H8 H 1 7.902 0.001 . 1 . . . . B 20 DG H8 . 34280 1 291 . 2 2 10 10 DG C1' C 13 84.438 0.000 . 1 . . . . B 20 DG C1' . 34280 1 292 . 2 2 10 10 DG C3' C 13 72.930 0.000 . 1 . . . . B 20 DG C3' . 34280 1 293 . 2 2 10 10 DG C4' C 13 87.685 0.000 . 1 . . . . B 20 DG C4' . 34280 1 stop_ save_