################################### # 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 52689 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name bound_RKEC1_assignment _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 '1D 1H' . . . 52689 1 2 '2D 1H-1H TOCSY' . . . 52689 1 3 '2D 1H-1H NOESY' . . . 52689 1 4 '2D 1H-15N HSQC' . . . 52689 1 5 '2D 1H-15N HSQC' . . . 52689 1 6 '2D 1H-1H NOESY' . . . 52689 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 1 $software_1 . . 52689 1 2 $software_2 . . 52689 1 3 $software_3 . . 52689 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 DT H1' H 1 6.36 0.02 . 1 . . . . . 11 DT H1' . 52689 1 2 . 1 . 1 1 1 DT H2' H 1 1.90 0.02 . 1 . . . . . 11 DT H2' . 52689 1 3 . 1 . 1 1 1 DT H2'' H 1 2.93 0.02 . 1 . . . . . 11 DT H2'' . 52689 1 4 . 1 . 1 1 1 DT H3 H 1 10.99 0.02 . 1 . . . . . 11 DT H3 . 52689 1 5 . 1 . 1 1 1 DT H3' H 1 4.94 0.02 . 1 . . . . . 11 DT H3' . 52689 1 6 . 1 . 1 1 1 DT H6 H 1 7.82 0.02 . 1 . . . . . 11 DT H6 . 52689 1 7 . 1 . 1 1 1 DT H71 H 1 1.63 0.02 . 1 . . . . . 11 DT H71 . 52689 1 8 . 1 . 1 1 1 DT H72 H 1 1.63 0.02 . 1 . . . . . 11 DT H72 . 52689 1 9 . 1 . 1 1 1 DT H73 H 1 1.63 0.02 . 1 . . . . . 11 DT H73 . 52689 1 10 . 1 . 1 1 1 DT N3 N 15 153.81 0.2 . 1 . . . . . 11 DT N3 . 52689 1 11 . 1 . 1 2 2 DT H1' H 1 5.78 0.02 . 1 . . . . . 12 DT H1' . 52689 1 12 . 1 . 1 2 2 DT H2' H 1 2.34 0.02 . 1 . . . . . 12 DT H2' . 52689 1 13 . 1 . 1 2 2 DT H2'' H 1 2.64 0.02 . 1 . . . . . 12 DT H2'' . 52689 1 14 . 1 . 1 2 2 DT H3 H 1 14.18 0.02 . 1 . . . . . 12 DT H3 . 52689 1 15 . 1 . 1 2 2 DT H3' H 1 5.04 0.02 . 1 . . . . . 12 DT H3' . 52689 1 16 . 1 . 1 2 2 DT H6 H 1 7.49 0.02 . 1 . . . . . 12 DT H6 . 52689 1 17 . 1 . 1 2 2 DT H71 H 1 1.75 0.02 . 1 . . . . . 12 DT H71 . 52689 1 18 . 1 . 1 2 2 DT H72 H 1 1.75 0.02 . 1 . . . . . 12 DT H72 . 52689 1 19 . 1 . 1 2 2 DT H73 H 1 1.75 0.02 . 1 . . . . . 12 DT H73 . 52689 1 20 . 1 . 1 2 2 DT N3 N 15 159.47 0.2 . 1 . . . . . 12 DT N3 . 52689 1 21 . 1 . 1 3 3 DG H1 H 1 10.30 0.02 . 1 . . . . . 13 DG H1 . 52689 1 22 . 1 . 1 3 3 DG H1' H 1 5.87 0.02 . 1 . . . . . 13 DG H1' . 52689 1 23 . 1 . 1 3 3 DG H2' H 1 2.82 0.02 . 1 . . . . . 13 DG H2' . 52689 1 24 . 1 . 1 3 3 DG H2'' H 1 2.72 0.02 . 1 . . . . . 13 DG H2'' . 52689 1 25 . 1 . 1 3 3 DG H3' H 1 5.07 0.02 . 1 . . . . . 13 DG H3' . 52689 1 26 . 1 . 1 3 3 DG H22 H 1 6.83 0.02 . 2 . . . . . 13 DG H22 . 52689 1 27 . 1 . 1 3 3 DG N1 N 15 144.69 0.2 . 1 . . . . . 13 DG N1 . 52689 1 28 . 1 . 1 4 4 DA H1' H 1 6.06 0.02 . 1 . . . . . 14 DA H1' . 52689 1 29 . 1 . 1 4 4 DA H2' H 1 2.17 0.02 . 1 . . . . . 14 DA H2' . 52689 1 30 . 1 . 1 4 4 DA H2'' H 1 2.42 0.02 . 1 . . . . . 14 DA H2'' . 52689 1 31 . 1 . 1 4 4 DA H3' H 1 4.56 0.02 . 1 . . . . . 14 DA H3' . 52689 1 32 . 1 . 1 5 5 DA H1' H 1 6.28 0.02 . 1 . . . . . 15 DA H1' . 52689 1 33 . 1 . 1 5 5 DA H2 H 1 8.01 0.02 . 1 . . . . . 15 DA H2 . 52689 1 34 . 1 . 1 5 5 DA H2' H 1 2.78 0.02 . 1 . . . . . 15 DA H2' . 52689 1 35 . 1 . 1 5 5 DA H2'' H 1 3.02 0.02 . 1 . . . . . 15 DA H2'' . 52689 1 36 . 1 . 1 5 5 DA H4' H 1 4.45 0.02 . 1 . . . . . 15 DA H4' . 52689 1 37 . 1 . 1 5 5 DA H61 H 1 7.68 0.02 . 2 . . . . . 15 DA H61 . 52689 1 38 . 1 . 1 5 5 DA H62 H 1 9.08 0.02 . 2 . . . . . 15 DA H62 . 52689 1 39 . 1 . 1 5 5 DA N6 N 15 86.68 0.2 . 1 . . . . . 15 DA N6 . 52689 1 40 . 1 . 1 6 6 DG H1 H 1 13.13 0.02 . 1 . . . . . 16 DG H1 . 52689 1 41 . 1 . 1 6 6 DG H21 H 1 7.65 0.02 . 2 . . . . . 16 DG H21 . 52689 1 42 . 1 . 1 6 6 DG H22 H 1 6.52 0.02 . 2 . . . . . 16 DG H22 . 52689 1 43 . 1 . 1 6 6 DG N1 N 15 149.63 0.2 . 1 . . . . . 16 DG N1 . 52689 1 44 . 1 . 1 7 7 DG H1 H 1 14.22 0.02 . 1 . . . . . 17 DG H1 . 52689 1 45 . 1 . 1 7 7 DG H1' H 1 6.23 0.02 . 1 . . . . . 17 DG H1' . 52689 1 46 . 1 . 1 7 7 DG H2' H 1 2.68 0.02 . 1 . . . . . 17 DG H2' . 52689 1 47 . 1 . 1 7 7 DG H3' H 1 4.86 0.02 . 1 . . . . . 17 DG H3' . 52689 1 48 . 1 . 1 7 7 DG H4' H 1 4.38 0.02 . 1 . . . . . 17 DG H4' . 52689 1 49 . 1 . 1 7 7 DG H8 H 1 8.05 0.02 . 1 . . . . . 17 DG H8 . 52689 1 50 . 1 . 1 7 7 DG H21 H 1 6.53 0.02 . 2 . . . . . 17 DG H21 . 52689 1 51 . 1 . 1 7 7 DG H22 H 1 7.51 0.02 . 2 . . . . . 17 DG H22 . 52689 1 52 . 1 . 1 7 7 DG N1 N 15 150.74 0.2 . 1 . . . . . 17 DG N1 . 52689 1 53 . 1 . 1 8 8 DT H1' H 1 6.16 0.02 . 1 . . . . . 18 DT H1' . 52689 1 54 . 1 . 1 8 8 DT H2' H 1 2.16 0.02 . 1 . . . . . 18 DT H2' . 52689 1 55 . 1 . 1 8 8 DT H2'' H 1 2.37 0.02 . 1 . . . . . 18 DT H2'' . 52689 1 56 . 1 . 1 8 8 DT H3 H 1 9.58 0.02 . 1 . . . . . 18 DT H3 . 52689 1 57 . 1 . 1 8 8 DT H3' H 1 4.81 0.02 . 1 . . . . . 18 DT H3' . 52689 1 58 . 1 . 1 8 8 DT H4' H 1 4.31 0.02 . 1 . . . . . 18 DT H4' . 52689 1 59 . 1 . 1 8 8 DT H6 H 1 7.44 0.02 . 1 . . . . . 18 DT H6 . 52689 1 60 . 1 . 1 8 8 DT H71 H 1 1.15 0.02 . 1 . . . . . 18 DT H71 . 52689 1 61 . 1 . 1 8 8 DT H72 H 1 1.15 0.02 . 1 . . . . . 18 DT H72 . 52689 1 62 . 1 . 1 8 8 DT H73 H 1 1.15 0.02 . 1 . . . . . 18 DT H73 . 52689 1 63 . 1 . 1 8 8 DT N3 N 15 157.92 0.2 . 1 . . . . . 18 DT N3 . 52689 1 64 . 1 . 1 9 9 DT H1' H 1 6.29 0.02 . 1 . . . . . 19 DT H1' . 52689 1 65 . 1 . 1 9 9 DT H2' H 1 2.31 0.02 . 1 . . . . . 19 DT H2' . 52689 1 66 . 1 . 1 9 9 DT H2'' H 1 2.80 0.02 . 1 . . . . . 19 DT H2'' . 52689 1 67 . 1 . 1 9 9 DT H3 H 1 12.54 0.02 . 1 . . . . . 19 DT H3 . 52689 1 68 . 1 . 1 9 9 DT H3' H 1 4.86 0.02 . 1 . . . . . 19 DT H3' . 52689 1 69 . 1 . 1 9 9 DT H6 H 1 7.43 0.02 . 1 . . . . . 19 DT H6 . 52689 1 70 . 1 . 1 9 9 DT H71 H 1 1.49 0.02 . 1 . . . . . 19 DT H71 . 52689 1 71 . 1 . 1 9 9 DT H72 H 1 1.49 0.02 . 1 . . . . . 19 DT H72 . 52689 1 72 . 1 . 1 9 9 DT H73 H 1 1.49 0.02 . 1 . . . . . 19 DT H73 . 52689 1 73 . 1 . 1 9 9 DT N3 N 15 158.26 0.2 . 1 . . . . . 19 DT N3 . 52689 1 74 . 1 . 1 10 10 DC H1' H 1 5.94 0.02 . 1 . . . . . 20 DC H1' . 52689 1 75 . 1 . 1 10 10 DC H2' H 1 2.08 0.02 . 1 . . . . . 20 DC H2' . 52689 1 76 . 1 . 1 10 10 DC H2'' H 1 1.35 0.02 . 1 . . . . . 20 DC H2'' . 52689 1 77 . 1 . 1 10 10 DC H3' H 1 4.86 0.02 . 1 . . . . . 20 DC H3' . 52689 1 78 . 1 . 1 10 10 DC H4' H 1 3.81 0.02 . 1 . . . . . 20 DC H4' . 52689 1 79 . 1 . 1 10 10 DC H5 H 1 5.83 0.02 . 1 . . . . . 20 DC H5 . 52689 1 80 . 1 . 1 10 10 DC H6 H 1 7.41 0.02 . 1 . . . . . 20 DC H6 . 52689 1 81 . 1 . 1 10 10 DC H41 H 1 7.77 0.02 . 2 . . . . . 20 DC H41 . 52689 1 82 . 1 . 1 10 10 DC H42 H 1 6.61 0.02 . 2 . . . . . 20 DC H42 . 52689 1 83 . 1 . 1 10 10 DC N4 N 15 95.07 0.2 . 1 . . . . . 20 DC N4 . 52689 1 84 . 1 . 1 11 11 DG H1 H 1 13.78 0.02 . 1 . . . . . 21 DG H1 . 52689 1 85 . 1 . 1 11 11 DG H1' H 1 6.03 0.02 . 1 . . . . . 21 DG H1' . 52689 1 86 . 1 . 1 11 11 DG H2' H 1 2.99 0.02 . 1 . . . . . 21 DG H2' . 52689 1 87 . 1 . 1 11 11 DG H2'' H 1 2.59 0.02 . 1 . . . . . 21 DG H2'' . 52689 1 88 . 1 . 1 11 11 DG H4' H 1 4.48 0.02 . 1 . . . . . 21 DG H4' . 52689 1 89 . 1 . 1 11 11 DG H21 H 1 9.11 0.02 . 2 . . . . . 21 DG H21 . 52689 1 90 . 1 . 1 11 11 DG H22 H 1 5.04 0.02 . 2 . . . . . 21 DG H22 . 52689 1 91 . 1 . 1 11 11 DG N1 N 15 147.40 0.2 . 1 . . . . . 21 DG N1 . 52689 1 92 . 1 . 1 11 11 DG N2 N 15 73.56 0.2 . 1 . . . . . 21 DG N2 . 52689 1 93 . 1 . 1 12 12 DT H1' H 1 6.19 0.02 . 1 . . . . . 22 DT H1' . 52689 1 94 . 1 . 1 12 12 DT H2' H 1 1.94 0.02 . 1 . . . . . 22 DT H2' . 52689 1 95 . 1 . 1 12 12 DT H2'' H 1 2.25 0.02 . 1 . . . . . 22 DT H2'' . 52689 1 96 . 1 . 1 12 12 DT H3' H 1 4.72 0.02 . 1 . . . . . 22 DT H3' . 52689 1 97 . 1 . 1 12 12 DT H6 H 1 7.55 0.02 . 1 . . . . . 22 DT H6 . 52689 1 98 . 1 . 1 12 12 DT H71 H 1 1.63 0.02 . 1 . . . . . 22 DT H71 . 52689 1 99 . 1 . 1 12 12 DT H72 H 1 1.63 0.02 . 1 . . . . . 22 DT H72 . 52689 1 100 . 1 . 1 12 12 DT H73 H 1 1.63 0.02 . 1 . . . . . 22 DT H73 . 52689 1 101 . 1 . 1 13 13 DT H1' H 1 6.45 0.02 . 1 . . . . . 23 DT H1' . 52689 1 102 . 1 . 1 13 13 DT H2' H 1 2.30 0.02 . 1 . . . . . 23 DT H2' . 52689 1 103 . 1 . 1 13 13 DT H2'' H 1 2.48 0.02 . 1 . . . . . 23 DT H2'' . 52689 1 104 . 1 . 1 13 13 DT H3' H 1 4.45 0.02 . 1 . . . . . 23 DT H3' . 52689 1 105 . 1 . 1 13 13 DT H4' H 1 4.56 0.02 . 1 . . . . . 23 DT H4' . 52689 1 106 . 1 . 1 13 13 DT H5' H 1 4.14 0.02 . 2 . . . . . 23 DT H5' . 52689 1 107 . 1 . 1 13 13 DT H5'' H 1 3.99 0.02 . 2 . . . . . 23 DT H5'' . 52689 1 108 . 1 . 1 13 13 DT H6 H 1 7.79 0.02 . 1 . . . . . 23 DT H6 . 52689 1 109 . 1 . 1 13 13 DT H71 H 1 1.88 0.02 . 1 . . . . . 23 DT H71 . 52689 1 110 . 1 . 1 13 13 DT H72 H 1 1.88 0.02 . 1 . . . . . 23 DT H72 . 52689 1 111 . 1 . 1 13 13 DT H73 H 1 1.88 0.02 . 1 . . . . . 23 DT H73 . 52689 1 112 . 1 . 1 14 14 DC H1' H 1 6.23 0.02 . 1 . . . . . 24 DC H1' . 52689 1 113 . 1 . 1 14 14 DC H2' H 1 1.75 0.02 . 1 . . . . . 24 DC H2' . 52689 1 114 . 1 . 1 14 14 DC H2'' H 1 2.12 0.02 . 1 . . . . . 24 DC H2'' . 52689 1 115 . 1 . 1 14 14 DC H3' H 1 4.86 0.02 . 1 . . . . . 24 DC H3' . 52689 1 116 . 1 . 1 14 14 DC H5 H 1 6.16 0.02 . 1 . . . . . 24 DC H5 . 52689 1 117 . 1 . 1 14 14 DC H6 H 1 7.61 0.02 . 1 . . . . . 24 DC H6 . 52689 1 118 . 1 . 1 14 14 DC H41 H 1 7.90 0.02 . 2 . . . . . 24 DC H41 . 52689 1 119 . 1 . 1 14 14 DC H42 H 1 8.61 0.02 . 2 . . . . . 24 DC H42 . 52689 1 120 . 1 . 1 14 14 DC N4 N 15 98.18 0.2 . 1 . . . . . 24 DC N4 . 52689 1 121 . 1 . 1 15 15 DG H1' H 1 7.03 0.02 . 1 . . . . . 25 DG H1' . 52689 1 122 . 1 . 1 15 15 DG H2' H 1 3.17 0.02 . 1 . . . . . 25 DG H2' . 52689 1 123 . 1 . 1 15 15 DG H2'' H 1 2.86 0.02 . 1 . . . . . 25 DG H2'' . 52689 1 124 . 1 . 1 15 15 DG H3' H 1 5.26 0.02 . 1 . . . . . 25 DG H3' . 52689 1 125 . 1 . 1 15 15 DG H4' H 1 4.86 0.02 . 1 . . . . . 25 DG H4' . 52689 1 126 . 1 . 1 15 15 DG H8 H 1 8.24 0.02 . 1 . . . . . 25 DG H8 . 52689 1 127 . 1 . 1 16 16 DC H1' H 1 5.68 0.02 . 1 . . . . . 26 DC H1' . 52689 1 128 . 1 . 1 16 16 DC H2' H 1 -0.42 0.02 . 1 . . . . . 26 DC H2' . 52689 1 129 . 1 . 1 16 16 DC H2'' H 1 1.32 0.02 . 1 . . . . . 26 DC H2'' . 52689 1 130 . 1 . 1 16 16 DC H3' H 1 4.00 0.02 . 1 . . . . . 26 DC H3' . 52689 1 131 . 1 . 1 16 16 DC H5 H 1 5.63 0.02 . 1 . . . . . 26 DC H5 . 52689 1 132 . 1 . 1 16 16 DC H6 H 1 7.68 0.02 . 1 . . . . . 26 DC H6 . 52689 1 133 . 1 . 1 16 16 DC H41 H 1 6.96 0.02 . 2 . . . . . 26 DC H41 . 52689 1 134 . 1 . 1 16 16 DC H42 H 1 8.22 0.02 . 2 . . . . . 26 DC H42 . 52689 1 135 . 1 . 1 16 16 DC N4 N 15 98.39 0.2 . 1 . . . . . 26 DC N4 . 52689 1 136 . 1 . 1 17 17 DA H1' H 1 3.86 0.02 . 1 . . . . . 27 DA H1' . 52689 1 137 . 1 . 1 17 17 DA H2 H 1 8.17 0.02 . 1 . . . . . 27 DA H2 . 52689 1 138 . 1 . 1 17 17 DA H2' H 1 2.79 0.02 . 1 . . . . . 27 DA H2' . 52689 1 139 . 1 . 1 17 17 DA H2'' H 1 2.54 0.02 . 1 . . . . . 27 DA H2'' . 52689 1 140 . 1 . 1 17 17 DA H3' H 1 4.78 0.02 . 1 . . . . . 27 DA H3' . 52689 1 141 . 1 . 1 17 17 DA H8 H 1 8.32 0.02 . 1 . . . . . 27 DA H8 . 52689 1 142 . 1 . 1 17 17 DA H61 H 1 7.08 0.02 . 2 . . . . . 27 DA H61 . 52689 1 143 . 1 . 1 17 17 DA H62 H 1 8.34 0.02 . 2 . . . . . 27 DA H62 . 52689 1 144 . 1 . 1 17 17 DA N6 N 15 83.40 0.2 . 1 . . . . . 27 DA N6 . 52689 1 145 . 1 . 1 18 18 DG H1 H 1 11.61 0.02 . 1 . . . . . 28 DG H1 . 52689 1 146 . 1 . 1 18 18 DG H1' H 1 6.17 0.02 . 1 . . . . . 28 DG H1' . 52689 1 147 . 1 . 1 18 18 DG H2' H 1 2.52 0.02 . 1 . . . . . 28 DG H2' . 52689 1 148 . 1 . 1 18 18 DG H2'' H 1 2.74 0.02 . 1 . . . . . 28 DG H2'' . 52689 1 149 . 1 . 1 18 18 DG H21 H 1 6.25 0.02 . 2 . . . . . 28 DG H21 . 52689 1 150 . 1 . 1 18 18 DG H22 H 1 9.72 0.02 . 2 . . . . . 28 DG H22 . 52689 1 151 . 1 . 1 18 18 DG N1 N 15 146.23 0.2 . 1 . . . . . 28 DG N1 . 52689 1 152 . 1 . 1 18 18 DG N2 N 15 84.01 0.2 . 1 . . . . . 28 DG N2 . 52689 1 153 . 1 . 1 19 19 DG H1 H 1 13.82 0.02 . 1 . . . . . 29 DG H1 . 52689 1 154 . 1 . 1 19 19 DG H1' H 1 5.66 0.02 . 1 . . . . . 29 DG H1' . 52689 1 155 . 1 . 1 19 19 DG H2' H 1 2.75 0.02 . 1 . . . . . 29 DG H2' . 52689 1 156 . 1 . 1 19 19 DG H2'' H 1 2.37 0.02 . 1 . . . . . 29 DG H2'' . 52689 1 157 . 1 . 1 19 19 DG H3' H 1 4.98 0.02 . 1 . . . . . 29 DG H3' . 52689 1 158 . 1 . 1 19 19 DG H4' H 1 4.42 0.02 . 1 . . . . . 29 DG H4' . 52689 1 159 . 1 . 1 19 19 DG H21 H 1 7.87 0.02 . 2 . . . . . 29 DG H21 . 52689 1 160 . 1 . 1 19 19 DG H22 H 1 7.52 0.02 . 2 . . . . . 29 DG H22 . 52689 1 161 . 1 . 1 19 19 DG N1 N 15 149.11 0.2 . 1 . . . . . 29 DG N1 . 52689 1 162 . 1 . 1 19 19 DG N2 N 15 77.07 0.2 . 1 . . . . . 29 DG N2 . 52689 1 163 . 1 . 1 20 20 DT H1' H 1 5.97 0.02 . 1 . . . . . 30 DT H1' . 52689 1 164 . 1 . 1 20 20 DT H2' H 1 1.70 0.02 . 1 . . . . . 30 DT H2' . 52689 1 165 . 1 . 1 20 20 DT H2'' H 1 2.07 0.02 . 1 . . . . . 30 DT H2'' . 52689 1 166 . 1 . 1 20 20 DT H3' H 1 4.55 0.02 . 1 . . . . . 30 DT H3' . 52689 1 167 . 1 . 1 20 20 DT H6 H 1 7.38 0.02 . 1 . . . . . 30 DT H6 . 52689 1 168 . 1 . 1 20 20 DT H71 H 1 1.51 0.02 . 1 . . . . . 30 DT H71 . 52689 1 169 . 1 . 1 20 20 DT H72 H 1 1.51 0.02 . 1 . . . . . 30 DT H72 . 52689 1 170 . 1 . 1 20 20 DT H73 H 1 1.51 0.02 . 1 . . . . . 30 DT H73 . 52689 1 171 . 1 . 1 21 21 DG H1 H 1 11.34 0.02 . 1 . . . . . 31 DG H1 . 52689 1 172 . 1 . 1 21 21 DG H1' H 1 6.00 0.02 . 1 . . . . . 31 DG H1' . 52689 1 173 . 1 . 1 21 21 DG H2' H 1 3.50 0.02 . 1 . . . . . 31 DG H2' . 52689 1 174 . 1 . 1 21 21 DG H2'' H 1 2.66 0.02 . 1 . . . . . 31 DG H2'' . 52689 1 175 . 1 . 1 21 21 DG H3' H 1 4.71 0.02 . 1 . . . . . 31 DG H3' . 52689 1 176 . 1 . 1 21 21 DG H8 H 1 7.62 0.02 . 1 . . . . . 31 DG H8 . 52689 1 177 . 1 . 1 21 21 DG H21 H 1 5.97 0.02 . 2 . . . . . 31 DG H21 . 52689 1 178 . 1 . 1 21 21 DG H22 H 1 6.76 0.02 . 2 . . . . . 31 DG H22 . 52689 1 179 . 1 . 1 21 21 DG N1 N 15 145.24 0.2 . 1 . . . . . 31 DG N1 . 52689 1 180 . 1 . 1 21 21 DG N2 N 15 74.59 0.2 . 1 . . . . . 31 DG N2 . 52689 1 181 . 1 . 1 22 22 DT H1' H 1 5.63 0.02 . 1 . . . . . 32 DT H1' . 52689 1 182 . 1 . 1 22 22 DT H2'' H 1 2.25 0.02 . 1 . . . . . 32 DT H2'' . 52689 1 183 . 1 . 1 22 22 DT H3 H 1 9.95 0.02 . 1 . . . . . 32 DT H3 . 52689 1 184 . 1 . 1 22 22 DT H3' H 1 4.88 0.02 . 1 . . . . . 32 DT H3' . 52689 1 185 . 1 . 1 22 22 DT H6 H 1 7.34 0.02 . 1 . . . . . 32 DT H6 . 52689 1 186 . 1 . 1 22 22 DT H71 H 1 1.36 0.02 . 1 . . . . . 32 DT H71 . 52689 1 187 . 1 . 1 22 22 DT H72 H 1 1.36 0.02 . 1 . . . . . 32 DT H72 . 52689 1 188 . 1 . 1 22 22 DT H73 H 1 1.36 0.02 . 1 . . . . . 32 DT H73 . 52689 1 189 . 1 . 1 22 22 DT N3 N 15 155.00 0.2 . 1 . . . . . 32 DT N3 . 52689 1 190 . 1 . 1 23 23 DG H1 H 1 12.63 0.02 . 1 . . . . . 33 DG H1 . 52689 1 191 . 1 . 1 23 23 DG H1' H 1 5.97 0.02 . 1 . . . . . 33 DG H1' . 52689 1 192 . 1 . 1 23 23 DG H2' H 1 2.83 0.02 . 1 . . . . . 33 DG H2' . 52689 1 193 . 1 . 1 23 23 DG H2'' H 1 3.05 0.02 . 1 . . . . . 33 DG H2'' . 52689 1 194 . 1 . 1 23 23 DG H3' H 1 5.00 0.02 . 1 . . . . . 33 DG H3' . 52689 1 195 . 1 . 1 23 23 DG H8 H 1 7.51 0.02 . 1 . . . . . 33 DG H8 . 52689 1 196 . 1 . 1 23 23 DG N1 N 15 147.63 0.2 . 1 . . . . . 33 DG N1 . 52689 1 197 . 1 . 1 24 24 DG H1 H 1 11.63 0.02 . 1 . . . . . 34 DG H1 . 52689 1 198 . 1 . 1 24 24 DG H1' H 1 5.55 0.02 . 1 . . . . . 34 DG H1' . 52689 1 199 . 1 . 1 24 24 DG H2' H 1 2.58 0.02 . 1 . . . . . 34 DG H2' . 52689 1 200 . 1 . 1 24 24 DG H2'' H 1 2.29 0.02 . 1 . . . . . 34 DG H2'' . 52689 1 201 . 1 . 1 24 24 DG H3' H 1 4.92 0.02 . 1 . . . . . 34 DG H3' . 52689 1 202 . 1 . 1 24 24 DG H8 H 1 7.69 0.02 . 1 . . . . . 34 DG H8 . 52689 1 203 . 1 . 1 24 24 DG H22 H 1 5.80 0.02 . 2 . . . . . 34 DG H22 . 52689 1 204 . 1 . 1 24 24 DG N1 N 15 145.37 0.2 . 1 . . . . . 34 DG N1 . 52689 1 205 . 1 . 1 25 25 DA H1' H 1 5.88 0.02 . 1 . . . . . 35 DA H1' . 52689 1 206 . 1 . 1 25 25 DA H2 H 1 8.08 0.02 . 1 . . . . . 35 DA H2 . 52689 1 207 . 1 . 1 25 25 DA H2' H 1 1.38 0.02 . 1 . . . . . 35 DA H2' . 52689 1 208 . 1 . 1 25 25 DA H2'' H 1 2.03 0.02 . 1 . . . . . 35 DA H2'' . 52689 1 209 . 1 . 1 25 25 DA H3' H 1 4.77 0.02 . 1 . . . . . 35 DA H3' . 52689 1 210 . 1 . 1 25 25 DA H8 H 1 8.03 0.02 . 1 . . . . . 35 DA H8 . 52689 1 211 . 1 . 1 25 25 DA H61 H 1 8.43 0.02 . 2 . . . . . 35 DA H61 . 52689 1 212 . 1 . 1 25 25 DA H62 H 1 8.12 0.02 . 2 . . . . . 35 DA H62 . 52689 1 213 . 1 . 1 25 25 DA N6 N 15 87.44 0.2 . 1 . . . . . 35 DA N6 . 52689 1 214 . 1 . 1 26 26 DG H1 H 1 7.70 0.02 . 1 . . . . . 36 DG H1 . 52689 1 215 . 1 . 1 26 26 DG H1' H 1 5.47 0.02 . 1 . . . . . 36 DG H1' . 52689 1 216 . 1 . 1 26 26 DG H2' H 1 2.80 0.02 . 1 . . . . . 36 DG H2' . 52689 1 217 . 1 . 1 26 26 DG H2'' H 1 2.48 0.02 . 1 . . . . . 36 DG H2'' . 52689 1 218 . 1 . 1 26 26 DG H3' H 1 5.01 0.02 . 1 . . . . . 36 DG H3' . 52689 1 219 . 1 . 1 26 26 DG H4' H 1 4.32 0.02 . 1 . . . . . 36 DG H4' . 52689 1 220 . 1 . 1 26 26 DG N1 N 15 148.43 0.2 . 1 . . . . . 36 DG N1 . 52689 1 221 . 1 . 1 27 27 DT H1' H 1 5.92 0.02 . 1 . . . . . 37 DT H1' . 52689 1 222 . 1 . 1 27 27 DT H2' H 1 2.23 0.02 . 1 . . . . . 37 DT H2' . 52689 1 223 . 1 . 1 27 27 DT H2'' H 1 2.05 0.02 . 1 . . . . . 37 DT H2'' . 52689 1 224 . 1 . 1 27 27 DT H3' H 1 4.37 0.02 . 1 . . . . . 37 DT H3' . 52689 1 225 . 1 . 1 27 27 DT H4' H 1 4.14 0.02 . 1 . . . . . 37 DT H4' . 52689 1 226 . 1 . 1 27 27 DT H6 H 1 7.49 0.02 . 1 . . . . . 37 DT H6 . 52689 1 227 . 1 . 1 27 27 DT H71 H 1 1.64 0.02 . 1 . . . . . 37 DT H71 . 52689 1 228 . 1 . 1 27 27 DT H72 H 1 1.64 0.02 . 1 . . . . . 37 DT H72 . 52689 1 229 . 1 . 1 27 27 DT H73 H 1 1.64 0.02 . 1 . . . . . 37 DT H73 . 52689 1 230 . 2 . 2 1 1 LDP H2 H 1 6.59 0.02 . 1 . . . . . 38 LDP H2 . 52689 1 231 . 2 . 2 1 1 LDP H5 H 1 5.35 0.02 . 1 . . . . . 38 LDP H5 . 52689 1 232 . 2 . 2 1 1 LDP H6 H 1 5.96 0.02 . 1 . . . . . 38 LDP H6 . 52689 1 233 . 2 . 2 1 1 LDP H71 H 1 2.40 0.02 . 2 . . . . . 38 LDP H71 . 52689 1 234 . 2 . 2 1 1 LDP H72 H 1 2.88 0.02 . 2 . . . . . 38 LDP H72 . 52689 1 235 . 2 . 2 1 1 LDP HB1 H 1 3.24 0.02 . 2 . . . . . 38 LDP HB1 . 52689 1 236 . 2 . 2 1 1 LDP HB2 H 1 2.98 0.02 . 2 . . . . . 38 LDP HB2 . 52689 1 237 . 2 . 2 1 1 LDP HN11 H 1 7.87 0.02 . 1 . . . . . 38 LDP HN11 . 52689 1 238 . 2 . 2 1 1 LDP HN12 H 1 7.87 0.02 . 1 . . . . . 38 LDP HN12 . 52689 1 239 . 2 . 2 1 1 LDP HN13 H 1 7.87 0.02 . 1 . . . . . 38 LDP HN13 . 52689 1 240 . 2 . 2 1 1 LDP HO1 H 1 9.15 0.02 . 1 . . . . . 38 LDP HO1 . 52689 1 241 . 2 . 2 1 1 LDP HO2 H 1 7.54 0.02 . 1 . . . . . 38 LDP HO2 . 52689 1 stop_ save_