################################### # 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 50346 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shift list' _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 NOESY-JR[15N]-Amino . . . 50346 1 2 HSQC[15N] . . . 50346 1 3 HSQC[15N]-2J . . . 50346 1 4 HSQC[15N]-2J . . . 50346 1 5 TROSY[15N] . . . 50346 1 6 HNN-COSY[15N] . . . 50346 1 7 HSQC[15N]-Amino . . . 50346 1 8 TOCSY . . . 50346 1 9 HNN-COSY[15N] . . . 50346 1 10 '2D HSQC HC' . . . 50346 1 11 NOESY[15N]-Imino . . . 50346 1 23 3D-fw-TOCSY-C12 . . . 50346 1 24 3D-fw-TOCSY-C15 . . . 50346 1 25 CN-HSQC . . . 50346 1 26 CT-HSQC[13C] . . . 50346 1 27 H(N)CO . . . 50346 1 28 3D-HCN . . . 50346 1 29 H5C5C4N3N1 . . . 50346 1 30 H68C68N19C42 . . . 50346 1 31 3D-NOESY-HSQC . . . 50346 1 32 HCCNH . . . 50346 1 33 xf-NOESY . . . 50346 1 34 lr-HNN-COSY . . . 50346 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 2 $software_2 . . 50346 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 G H1 H 1 13.000 . . . . . . . . -1 G H1 . 50346 1 2 . 1 . 1 1 1 G H1' H 1 5.832 . . . . . . . . -1 G H1' . 50346 1 3 . 1 . 1 1 1 G H2' H 1 4.224 . . . . . . . . -1 G H2' . 50346 1 4 . 1 . 1 1 1 G H3' H 1 4.597 . . . . . . . . -1 G H3' . 50346 1 5 . 1 . 1 1 1 G H4' H 1 4.400 . . . . . . . . -1 G H4' . 50346 1 6 . 1 . 1 1 1 G H5' H 1 4.296 . . . . . . . . -1 G H5' . 50346 1 7 . 1 . 1 1 1 G H5'' H 1 4.097 . . . . . . . . -1 G H5'' . 50346 1 8 . 1 . 1 1 1 G H8 H 1 8.146 . . . . . . . . -1 G H8 . 50346 1 9 . 1 . 1 1 1 G C1' C 13 91.923 . . . . . . . . -1 G C1' . 50346 1 10 . 1 . 1 1 1 G C2 C 13 157.024 . . . . . . . . -1 G C2 . 50346 1 11 . 1 . 1 1 1 G C2' C 13 75.141 . . . . . . . . -1 G C2' . 50346 1 12 . 1 . 1 1 1 G C3' C 13 75.337 . . . . . . . . -1 G C3' . 50346 1 13 . 1 . 1 1 1 G C4 C 13 150.398 . . . . . . . . -1 G C4 . 50346 1 14 . 1 . 1 1 1 G C4' C 13 84.706 . . . . . . . . -1 G C4' . 50346 1 15 . 1 . 1 1 1 G C5' C 13 66.304 . . . . . . . . -1 G C5' . 50346 1 16 . 1 . 1 1 1 G C8 C 13 139.242 . . . . . . . . -1 G C8 . 50346 1 17 . 1 . 1 1 1 G N1 N 15 148.684 . . . . . . . . -1 G N1 . 50346 1 18 . 1 . 1 2 2 G H1 H 1 12.858 . . . . . . . . 188 G H1 . 50346 1 19 . 1 . 1 2 2 G H1' H 1 5.937 . . . . . . . . 188 G H1' . 50346 1 20 . 1 . 1 2 2 G H2' H 1 4.712 . . . . . . . . 188 G H2' . 50346 1 21 . 1 . 1 2 2 G H4' H 1 4.554 . . . . . . . . 188 G H4' . 50346 1 22 . 1 . 1 2 2 G H5' H 1 4.505 . . . . . . . . 188 G H5' . 50346 1 23 . 1 . 1 2 2 G H5'' H 1 4.210 . . . . . . . . 188 G H5'' . 50346 1 24 . 1 . 1 2 2 G H8 H 1 7.555 . . . . . . . . 188 G H8 . 50346 1 25 . 1 . 1 2 2 G C1' C 13 92.845 . . . . . . . . 188 G C1' . 50346 1 26 . 1 . 1 2 2 G C2 C 13 156.443 . . . . . . . . 188 G C2 . 50346 1 27 . 1 . 1 2 2 G C2' C 13 75.657 . . . . . . . . 188 G C2' . 50346 1 28 . 1 . 1 2 2 G C4' C 13 82.285 . . . . . . . . 188 G C4' . 50346 1 29 . 1 . 1 2 2 G C5' C 13 65.823 . . . . . . . . 188 G C5' . 50346 1 30 . 1 . 1 2 2 G C6 C 13 161.590 . . . . . . . . 188 G C6 . 50346 1 31 . 1 . 1 2 2 G C8 C 13 136.747 . . . . . . . . 188 G C8 . 50346 1 32 . 1 . 1 2 2 G N1 N 15 147.844 . . . . . . . . 188 G N1 . 50346 1 33 . 1 . 1 3 3 G H1 H 1 13.277 . . . . . . . . 189 G H1 . 50346 1 34 . 1 . 1 3 3 G H1' H 1 5.794 . . . . . . . . 189 G H1' . 50346 1 35 . 1 . 1 3 3 G H2' H 1 4.544 . . . . . . . . 189 G H2' . 50346 1 36 . 1 . 1 3 3 G H3' H 1 4.463 . . . . . . . . 189 G H3' . 50346 1 37 . 1 . 1 3 3 G H4' H 1 4.476 . . . . . . . . 189 G H4' . 50346 1 38 . 1 . 1 3 3 G H5' H 1 4.570 . . . . . . . . 189 G H5' . 50346 1 39 . 1 . 1 3 3 G H5'' H 1 4.181 . . . . . . . . 189 G H5'' . 50346 1 40 . 1 . 1 3 3 G H8 H 1 7.254 . . . . . . . . 189 G H8 . 50346 1 41 . 1 . 1 3 3 G C1' C 13 93.100 . . . . . . . . 189 G C1' . 50346 1 42 . 1 . 1 3 3 G C2 C 13 156.904 . . . . . . . . 189 G C2 . 50346 1 43 . 1 . 1 3 3 G C2' C 13 75.438 . . . . . . . . 189 G C2' . 50346 1 44 . 1 . 1 3 3 G C3' C 13 72.917 . . . . . . . . 189 G C3' . 50346 1 45 . 1 . 1 3 3 G C4' C 13 82.169 . . . . . . . . 189 G C4' . 50346 1 46 . 1 . 1 3 3 G C5' C 13 65.491 . . . . . . . . 189 G C5' . 50346 1 47 . 1 . 1 3 3 G C6 C 13 161.693 . . . . . . . . 189 G C6 . 50346 1 48 . 1 . 1 3 3 G C8 C 13 135.928 . . . . . . . . 189 G C8 . 50346 1 49 . 1 . 1 3 3 G N1 N 15 148.890 . . . . . . . . 189 G N1 . 50346 1 50 . 1 . 1 3 3 G N7 N 15 234.219 . . . . . . . . 189 G N7 . 50346 1 51 . 1 . 1 3 3 G N9 N 15 169.076 . . . . . . . . 189 G N9 . 50346 1 52 . 1 . 1 4 4 C H1' H 1 5.535 . . . . . . . . 190 C H1' . 50346 1 53 . 1 . 1 4 4 C H2' H 1 4.427 . . . . . . . . 190 C H2' . 50346 1 54 . 1 . 1 4 4 C H3' H 1 4.547 . . . . . . . . 190 C H3' . 50346 1 55 . 1 . 1 4 4 C H4' H 1 4.439 . . . . . . . . 190 C H4' . 50346 1 56 . 1 . 1 4 4 C H5 H 1 5.233 . . . . . . . . 190 C H5 . 50346 1 57 . 1 . 1 4 4 C H5' H 1 4.531 . . . . . . . . 190 C H5' . 50346 1 58 . 1 . 1 4 4 C H5'' H 1 4.104 . . . . . . . . 190 C H5'' . 50346 1 59 . 1 . 1 4 4 C H6 H 1 7.597 . . . . . . . . 190 C H6 . 50346 1 60 . 1 . 1 4 4 C H41 H 1 8.607 . . . . . . . . 190 C H41 . 50346 1 61 . 1 . 1 4 4 C H42 H 1 6.915 . . . . . . . . 190 C H42 . 50346 1 62 . 1 . 1 4 4 C C1' C 13 94.077 . . . . . . . . 190 C C1' . 50346 1 63 . 1 . 1 4 4 C C2 C 13 158.887 . . . . . . . . 190 C C2 . 50346 1 64 . 1 . 1 4 4 C C2' C 13 75.507 . . . . . . . . 190 C C2' . 50346 1 65 . 1 . 1 4 4 C C3' C 13 72.416 . . . . . . . . 190 C C3' . 50346 1 66 . 1 . 1 4 4 C C4' C 13 81.887 . . . . . . . . 190 C C4' . 50346 1 67 . 1 . 1 4 4 C C5 C 13 97.297 . . . . . . . . 190 C C5 . 50346 1 68 . 1 . 1 4 4 C C5' C 13 64.754 . . . . . . . . 190 C C5' . 50346 1 69 . 1 . 1 4 4 C C6 C 13 141.007 . . . . . . . . 190 C C6 . 50346 1 70 . 1 . 1 4 4 C N1 N 15 150.656 . . . . . . . . 190 C N1 . 50346 1 71 . 1 . 1 4 4 C N3 N 15 197.689 . . . . . . . . 190 C N3 . 50346 1 72 . 1 . 1 4 4 C N4 N 15 98.579 . . . . . . . . 190 C N4 . 50346 1 73 . 1 . 1 5 5 U H1' H 1 5.543 . . . . . . . . 191 U H1' . 50346 1 74 . 1 . 1 5 5 U H2' H 1 4.574 . . . . . . . . 191 U H2' . 50346 1 75 . 1 . 1 5 5 U H3 H 1 13.493 . . . . . . . . 191 U H3 . 50346 1 76 . 1 . 1 5 5 U H3' H 1 4.551 . . . . . . . . 191 U H3' . 50346 1 77 . 1 . 1 5 5 U H4' H 1 4.419 . . . . . . . . 191 U H4' . 50346 1 78 . 1 . 1 5 5 U H5 H 1 5.445 . . . . . . . . 191 U H5 . 50346 1 79 . 1 . 1 5 5 U H5' H 1 4.465 . . . . . . . . 191 U H5' . 50346 1 80 . 1 . 1 5 5 U H5'' H 1 4.071 . . . . . . . . 191 U H5'' . 50346 1 81 . 1 . 1 5 5 U H6 H 1 7.822 . . . . . . . . 191 U H6 . 50346 1 82 . 1 . 1 5 5 U C1' C 13 93.731 . . . . . . . . 191 U C1' . 50346 1 83 . 1 . 1 5 5 U C2 C 13 152.709 . . . . . . . . 191 U C2 . 50346 1 84 . 1 . 1 5 5 U C2' C 13 75.286 . . . . . . . . 191 U C2' . 50346 1 85 . 1 . 1 5 5 U C3' C 13 72.657 . . . . . . . . 191 U C3' . 50346 1 86 . 1 . 1 5 5 U C4 C 13 169.572 . . . . . . . . 191 U C4 . 50346 1 87 . 1 . 1 5 5 U C4' C 13 81.925 . . . . . . . . 191 U C4' . 50346 1 88 . 1 . 1 5 5 U C5 C 13 103.896 . . . . . . . . 191 U C5 . 50346 1 89 . 1 . 1 5 5 U C5' C 13 64.886 . . . . . . . . 191 U C5' . 50346 1 90 . 1 . 1 5 5 U C6 C 13 141.587 . . . . . . . . 191 U C6 . 50346 1 91 . 1 . 1 5 5 U N1 N 15 145.536 . . . . . . . . 191 U N1 . 50346 1 92 . 1 . 1 5 5 U N3 N 15 161.561 . . . . . . . . 191 U N3 . 50346 1 93 . 1 . 1 6 6 G H1 H 1 12.516 . . . . . . . . 192 G H1 . 50346 1 94 . 1 . 1 6 6 G H1' H 1 5.806 . . . . . . . . 192 G H1' . 50346 1 95 . 1 . 1 6 6 G H2' H 1 4.470 . . . . . . . . 192 G H2' . 50346 1 96 . 1 . 1 6 6 G H3' H 1 4.590 . . . . . . . . 192 G H3' . 50346 1 97 . 1 . 1 6 6 G H4' H 1 4.449 . . . . . . . . 192 G H4' . 50346 1 98 . 1 . 1 6 6 G H5' H 1 4.536 . . . . . . . . 192 G H5' . 50346 1 99 . 1 . 1 6 6 G H5'' H 1 4.138 . . . . . . . . 192 G H5'' . 50346 1 100 . 1 . 1 6 6 G H8 H 1 7.775 . . . . . . . . 192 G H8 . 50346 1 101 . 1 . 1 6 6 G C1' C 13 92.451 . . . . . . . . 192 G C1' . 50346 1 102 . 1 . 1 6 6 G C2 C 13 156.436 . . . . . . . . 192 G C2 . 50346 1 103 . 1 . 1 6 6 G C2' C 13 75.410 . . . . . . . . 192 G C2' . 50346 1 104 . 1 . 1 6 6 G C3' C 13 72.798 . . . . . . . . 192 G C3' . 50346 1 105 . 1 . 1 6 6 G C4 C 13 152.010 . . . . . . . . 192 G C4 . 50346 1 106 . 1 . 1 6 6 G C4' C 13 81.917 . . . . . . . . 192 G C4' . 50346 1 107 . 1 . 1 6 6 G C5' C 13 65.178 . . . . . . . . 192 G C5' . 50346 1 108 . 1 . 1 6 6 G C6 C 13 161.315 . . . . . . . . 192 G C6 . 50346 1 109 . 1 . 1 6 6 G C8 C 13 136.381 . . . . . . . . 192 G C8 . 50346 1 110 . 1 . 1 6 6 G N1 N 15 147.641 . . . . . . . . 192 G N1 . 50346 1 111 . 1 . 1 6 6 G N7 N 15 234.834 . . . . . . . . 192 G N7 . 50346 1 112 . 1 . 1 6 6 G N9 N 15 169.721 . . . . . . . . 192 G N9 . 50346 1 113 . 1 . 1 7 7 C H1' H 1 5.448 . . . . . . . . 193 C H1' . 50346 1 114 . 1 . 1 7 7 C H2' H 1 4.421 . . . . . . . . 193 C H2' . 50346 1 115 . 1 . 1 7 7 C H3' H 1 4.200 . . . . . . . . 193 C H3' . 50346 1 116 . 1 . 1 7 7 C H4' H 1 4.537 . . . . . . . . 193 C H4' . 50346 1 117 . 1 . 1 7 7 C H5 H 1 5.227 . . . . . . . . 193 C H5 . 50346 1 118 . 1 . 1 7 7 C H5' H 1 4.508 . . . . . . . . 193 C H5' . 50346 1 119 . 1 . 1 7 7 C H5'' H 1 4.084 . . . . . . . . 193 C H5'' . 50346 1 120 . 1 . 1 7 7 C H6 H 1 7.453 . . . . . . . . 193 C H6 . 50346 1 121 . 1 . 1 7 7 C H41 H 1 8.245 . . . . . . . . 193 C H41 . 50346 1 122 . 1 . 1 7 7 C H42 H 1 6.890 . . . . . . . . 193 C H42 . 50346 1 123 . 1 . 1 7 7 C C1' C 13 93.777 . . . . . . . . 193 C C1' . 50346 1 124 . 1 . 1 7 7 C C2 C 13 158.576 . . . . . . . . 193 C C2 . 50346 1 125 . 1 . 1 7 7 C C2' C 13 75.722 . . . . . . . . 193 C C2' . 50346 1 126 . 1 . 1 7 7 C C3' C 13 72.281 . . . . . . . . 193 C C3' . 50346 1 127 . 1 . 1 7 7 C C4' C 13 82.019 . . . . . . . . 193 C C4' . 50346 1 128 . 1 . 1 7 7 C C5 C 13 97.202 . . . . . . . . 193 C C5 . 50346 1 129 . 1 . 1 7 7 C C5' C 13 64.927 . . . . . . . . 193 C C5' . 50346 1 130 . 1 . 1 7 7 C C6 C 13 140.533 . . . . . . . . 193 C C6 . 50346 1 131 . 1 . 1 7 7 C N1 N 15 150.994 . . . . . . . . 193 C N1 . 50346 1 132 . 1 . 1 7 7 C N3 N 15 196.461 . . . . . . . . 193 C N3 . 50346 1 133 . 1 . 1 7 7 C N4 N 15 98.718 . . . . . . . . 193 C N4 . 50346 1 134 . 1 . 1 8 8 U H1' H 1 5.619 . . . . . . . . 194 U H1' . 50346 1 135 . 1 . 1 8 8 U H2' H 1 4.116 . . . . . . . . 194 U H2' . 50346 1 136 . 1 . 1 8 8 U H3 H 1 11.244 . . . . . . . . 194 U H3 . 50346 1 137 . 1 . 1 8 8 U H3' H 1 4.435 . . . . . . . . 194 U H3' . 50346 1 138 . 1 . 1 8 8 U H4' H 1 4.360 . . . . . . . . 194 U H4' . 50346 1 139 . 1 . 1 8 8 U H5 H 1 5.587 . . . . . . . . 194 U H5 . 50346 1 140 . 1 . 1 8 8 U H5' H 1 4.426 . . . . . . . . 194 U H5' . 50346 1 141 . 1 . 1 8 8 U H5'' H 1 4.047 . . . . . . . . 194 U H5'' . 50346 1 142 . 1 . 1 8 8 U H6 H 1 7.739 . . . . . . . . 194 U H6 . 50346 1 143 . 1 . 1 8 8 U C1' C 13 94.085 . . . . . . . . 194 U C1' . 50346 1 144 . 1 . 1 8 8 U C2 C 13 154.212 . . . . . . . . 194 U C2 . 50346 1 145 . 1 . 1 8 8 U C2' C 13 75.690 . . . . . . . . 194 U C2' . 50346 1 146 . 1 . 1 8 8 U C3' C 13 72.412 . . . . . . . . 194 U C3' . 50346 1 147 . 1 . 1 8 8 U C4' C 13 82.652 . . . . . . . . 194 U C4' . 50346 1 148 . 1 . 1 8 8 U C5 C 13 104.760 . . . . . . . . 194 U C5 . 50346 1 149 . 1 . 1 8 8 U C5' C 13 64.531 . . . . . . . . 194 U C5' . 50346 1 150 . 1 . 1 8 8 U C6 C 13 141.065 . . . . . . . . 194 U C6 . 50346 1 151 . 1 . 1 8 8 U N1 N 15 146.021 . . . . . . . . 194 U N1 . 50346 1 152 . 1 . 1 8 8 U N3 N 15 157.766 . . . . . . . . 194 U N3 . 50346 1 153 . 1 . 1 9 9 U H1' H 1 5.599 . . . . . . . . 195 U H1' . 50346 1 154 . 1 . 1 9 9 U H2' H 1 4.286 . . . . . . . . 195 U H2' . 50346 1 155 . 1 . 1 9 9 U H3' H 1 4.626 . . . . . . . . 195 U H3' . 50346 1 156 . 1 . 1 9 9 U H4' H 1 4.416 . . . . . . . . 195 U H4' . 50346 1 157 . 1 . 1 9 9 U H5 H 1 5.616 . . . . . . . . 195 U H5 . 50346 1 158 . 1 . 1 9 9 U H5' H 1 4.483 . . . . . . . . 195 U H5' . 50346 1 159 . 1 . 1 9 9 U H5'' H 1 4.188 . . . . . . . . 195 U H5'' . 50346 1 160 . 1 . 1 9 9 U H6 H 1 7.809 . . . . . . . . 195 U H6 . 50346 1 161 . 1 . 1 9 9 U C1' C 13 92.070 . . . . . . . . 195 U C1' . 50346 1 162 . 1 . 1 9 9 U C2 C 13 153.830 . . . . . . . . 195 U C2 . 50346 1 163 . 1 . 1 9 9 U C2' C 13 75.654 . . . . . . . . 195 U C2' . 50346 1 164 . 1 . 1 9 9 U C3' C 13 74.355 . . . . . . . . 195 U C3' . 50346 1 165 . 1 . 1 9 9 U C4' C 13 83.687 . . . . . . . . 195 U C4' . 50346 1 166 . 1 . 1 9 9 U C5 C 13 104.551 . . . . . . . . 195 U C5 . 50346 1 167 . 1 . 1 9 9 U C5' C 13 65.831 . . . . . . . . 195 U C5' . 50346 1 168 . 1 . 1 9 9 U C6 C 13 142.676 . . . . . . . . 195 U C6 . 50346 1 169 . 1 . 1 9 9 U N1 N 15 145.438 . . . . . . . . 195 U N1 . 50346 1 170 . 1 . 1 9 9 U N3 N 15 157.596 . . . . . . . . 195 U N3 . 50346 1 171 . 1 . 1 10 10 A H1' H 1 5.969 . . . . . . . . 196 A H1' . 50346 1 172 . 1 . 1 10 10 A H2 H 1 7.680 . . . . . . . . 196 A H2 . 50346 1 173 . 1 . 1 10 10 A H2' H 1 4.686 . . . . . . . . 196 A H2' . 50346 1 174 . 1 . 1 10 10 A H3' H 1 4.693 . . . . . . . . 196 A H3' . 50346 1 175 . 1 . 1 10 10 A H4' H 1 4.513 . . . . . . . . 196 A H4' . 50346 1 176 . 1 . 1 10 10 A H5' H 1 4.426 . . . . . . . . 196 A H5' . 50346 1 177 . 1 . 1 10 10 A H5'' H 1 4.099 . . . . . . . . 196 A H5'' . 50346 1 178 . 1 . 1 10 10 A H8 H 1 8.376 . . . . . . . . 196 A H8 . 50346 1 179 . 1 . 1 10 10 A C1' C 13 92.073 . . . . . . . . 196 A C1' . 50346 1 180 . 1 . 1 10 10 A C2 C 13 153.757 . . . . . . . . 196 A C2 . 50346 1 181 . 1 . 1 10 10 A C2' C 13 75.267 . . . . . . . . 196 A C2' . 50346 1 182 . 1 . 1 10 10 A C3' C 13 73.678 . . . . . . . . 196 A C3' . 50346 1 183 . 1 . 1 10 10 A C4 C 13 149.840 . . . . . . . . 196 A C4 . 50346 1 184 . 1 . 1 10 10 A C4' C 13 82.678 . . . . . . . . 196 A C4' . 50346 1 185 . 1 . 1 10 10 A C5' C 13 65.787 . . . . . . . . 196 A C5' . 50346 1 186 . 1 . 1 10 10 A C8 C 13 140.987 . . . . . . . . 196 A C8 . 50346 1 187 . 1 . 1 10 10 A N1 N 15 222.941 . . . . . . . . 196 A N1 . 50346 1 188 . 1 . 1 10 10 A N3 N 15 213.741 . . . . . . . . 196 A N3 . 50346 1 189 . 1 . 1 10 10 A N7 N 15 230.285 . . . . . . . . 196 A N7 . 50346 1 190 . 1 . 1 10 10 A N9 N 15 170.043 . . . . . . . . 196 A N9 . 50346 1 191 . 1 . 1 11 11 C H1' H 1 5.505 . . . . . . . . 197 C H1' . 50346 1 192 . 1 . 1 11 11 C H2' H 1 4.457 . . . . . . . . 197 C H2' . 50346 1 193 . 1 . 1 11 11 C H3' H 1 4.455 . . . . . . . . 197 C H3' . 50346 1 194 . 1 . 1 11 11 C H4' H 1 4.428 . . . . . . . . 197 C H4' . 50346 1 195 . 1 . 1 11 11 C H5 H 1 5.200 . . . . . . . . 197 C H5 . 50346 1 196 . 1 . 1 11 11 C H5' H 1 4.500 . . . . . . . . 197 C H5' . 50346 1 197 . 1 . 1 11 11 C H5'' H 1 4.086 . . . . . . . . 197 C H5'' . 50346 1 198 . 1 . 1 11 11 C H6 H 1 7.517 . . . . . . . . 197 C H6 . 50346 1 199 . 1 . 1 11 11 C H41 H 1 8.213 . . . . . . . . 197 C H41 . 50346 1 200 . 1 . 1 11 11 C H42 H 1 6.722 . . . . . . . . 197 C H42 . 50346 1 201 . 1 . 1 11 11 C C1' C 13 93.616 . . . . . . . . 197 C C1' . 50346 1 202 . 1 . 1 11 11 C C2 C 13 158.647 . . . . . . . . 197 C C2 . 50346 1 203 . 1 . 1 11 11 C C2' C 13 75.585 . . . . . . . . 197 C C2' . 50346 1 204 . 1 . 1 11 11 C C3' C 13 72.552 . . . . . . . . 197 C C3' . 50346 1 205 . 1 . 1 11 11 C C4' C 13 81.905 . . . . . . . . 197 C C4' . 50346 1 206 . 1 . 1 11 11 C C5 C 13 97.571 . . . . . . . . 197 C C5 . 50346 1 207 . 1 . 1 11 11 C C5' C 13 65.484 . . . . . . . . 197 C C5' . 50346 1 208 . 1 . 1 11 11 C C6 C 13 140.751 . . . . . . . . 197 C C6 . 50346 1 209 . 1 . 1 11 11 C N1 N 15 150.070 . . . . . . . . 197 C N1 . 50346 1 210 . 1 . 1 11 11 C N3 N 15 197.268 . . . . . . . . 197 C N3 . 50346 1 211 . 1 . 1 11 11 C N4 N 15 97.499 . . . . . . . . 197 C N4 . 50346 1 212 . 1 . 1 12 12 G H1 H 1 12.565 . . . . . . . . 198 G H1 . 50346 1 213 . 1 . 1 12 12 G H1' H 1 5.721 . . . . . . . . 198 G H1' . 50346 1 214 . 1 . 1 12 12 G H2' H 1 4.639 . . . . . . . . 198 G H2' . 50346 1 215 . 1 . 1 12 12 G H3' H 1 4.570 . . . . . . . . 198 G H3' . 50346 1 216 . 1 . 1 12 12 G H4' H 1 4.472 . . . . . . . . 198 G H4' . 50346 1 217 . 1 . 1 12 12 G H5' H 1 4.441 . . . . . . . . 198 G H5' . 50346 1 218 . 1 . 1 12 12 G H5'' H 1 4.110 . . . . . . . . 198 G H5'' . 50346 1 219 . 1 . 1 12 12 G H8 H 1 7.504 . . . . . . . . 198 G H8 . 50346 1 220 . 1 . 1 12 12 G C1' C 13 92.890 . . . . . . . . 198 G C1' . 50346 1 221 . 1 . 1 12 12 G C2 C 13 155.733 . . . . . . . . 198 G C2 . 50346 1 222 . 1 . 1 12 12 G C2' C 13 75.443 . . . . . . . . 198 G C2' . 50346 1 223 . 1 . 1 12 12 G C3' C 13 73.153 . . . . . . . . 198 G C3' . 50346 1 224 . 1 . 1 12 12 G C4 C 13 152.364 . . . . . . . . 198 G C4 . 50346 1 225 . 1 . 1 12 12 G C4' C 13 82.047 . . . . . . . . 198 G C4' . 50346 1 226 . 1 . 1 12 12 G C5' C 13 66.032 . . . . . . . . 198 G C5' . 50346 1 227 . 1 . 1 12 12 G C6 C 13 161.290 . . . . . . . . 198 G C6 . 50346 1 228 . 1 . 1 12 12 G C8 C 13 136.190 . . . . . . . . 198 G C8 . 50346 1 229 . 1 . 1 12 12 G N1 N 15 146.983 . . . . . . . . 198 G N1 . 50346 1 230 . 1 . 1 12 12 G N7 N 15 235.784 . . . . . . . . 198 G N7 . 50346 1 231 . 1 . 1 12 12 G N9 N 15 168.820 . . . . . . . . 198 G N9 . 50346 1 232 . 1 . 1 13 13 G H1 H 1 13.361 . . . . . . . . 199 G H1 . 50346 1 233 . 1 . 1 13 13 G H1' H 1 5.737 . . . . . . . . 199 G H1' . 50346 1 234 . 1 . 1 13 13 G H2' H 1 4.246 . . . . . . . . 199 G H2' . 50346 1 235 . 1 . 1 13 13 G H3' H 1 4.425 . . . . . . . . 199 G H3' . 50346 1 236 . 1 . 1 13 13 G H4' H 1 4.473 . . . . . . . . 199 G H4' . 50346 1 237 . 1 . 1 13 13 G H5' H 1 4.521 . . . . . . . . 199 G H5' . 50346 1 238 . 1 . 1 13 13 G H5'' H 1 4.067 . . . . . . . . 199 G H5'' . 50346 1 239 . 1 . 1 13 13 G H8 H 1 7.243 . . . . . . . . 199 G H8 . 50346 1 240 . 1 . 1 13 13 G C1' C 13 93.300 . . . . . . . . 199 G C1' . 50346 1 241 . 1 . 1 13 13 G C2 C 13 156.901 . . . . . . . . 199 G C2 . 50346 1 242 . 1 . 1 13 13 G C2' C 13 75.663 . . . . . . . . 199 G C2' . 50346 1 243 . 1 . 1 13 13 G C3' C 13 72.799 . . . . . . . . 199 G C3' . 50346 1 244 . 1 . 1 13 13 G C4 C 13 151.996 . . . . . . . . 199 G C4 . 50346 1 245 . 1 . 1 13 13 G C4' C 13 82.260 . . . . . . . . 199 G C4' . 50346 1 246 . 1 . 1 13 13 G C5' C 13 64.969 . . . . . . . . 199 G C5' . 50346 1 247 . 1 . 1 13 13 G C6 C 13 161.968 . . . . . . . . 199 G C6 . 50346 1 248 . 1 . 1 13 13 G C8 C 13 136.303 . . . . . . . . 199 G C8 . 50346 1 249 . 1 . 1 13 13 G N1 N 15 148.802 . . . . . . . . 199 G N1 . 50346 1 250 . 1 . 1 13 13 G N7 N 15 235.281 . . . . . . . . 199 G N7 . 50346 1 251 . 1 . 1 13 13 G N9 N 15 169.260 . . . . . . . . 199 G N9 . 50346 1 252 . 1 . 1 14 14 U H1' H 1 5.934 . . . . . . . . 200 U H1' . 50346 1 253 . 1 . 1 14 14 U H2' H 1 4.918 . . . . . . . . 200 U H2' . 50346 1 254 . 1 . 1 14 14 U H3' H 1 4.802 . . . . . . . . 200 U H3' . 50346 1 255 . 1 . 1 14 14 U H4' H 1 4.526 . . . . . . . . 200 U H4' . 50346 1 256 . 1 . 1 14 14 U H5 H 1 5.192 . . . . . . . . 200 U H5 . 50346 1 257 . 1 . 1 14 14 U H5' H 1 4.344 . . . . . . . . 200 U H5' . 50346 1 258 . 1 . 1 14 14 U H5'' H 1 4.232 . . . . . . . . 200 U H5'' . 50346 1 259 . 1 . 1 14 14 U H6 H 1 7.530 . . . . . . . . 200 U H6 . 50346 1 260 . 1 . 1 14 14 U C1' C 13 90.593 . . . . . . . . 200 U C1' . 50346 1 261 . 1 . 1 14 14 U C2 C 13 154.271 . . . . . . . . 200 U C2 . 50346 1 262 . 1 . 1 14 14 U C2' C 13 75.243 . . . . . . . . 200 U C2' . 50346 1 263 . 1 . 1 14 14 U C3' C 13 73.829 . . . . . . . . 200 U C3' . 50346 1 264 . 1 . 1 14 14 U C4' C 13 83.020 . . . . . . . . 200 U C4' . 50346 1 265 . 1 . 1 14 14 U C5 C 13 104.570 . . . . . . . . 200 U C5 . 50346 1 266 . 1 . 1 14 14 U C5' C 13 68.089 . . . . . . . . 200 U C5' . 50346 1 267 . 1 . 1 14 14 U C6 C 13 141.978 . . . . . . . . 200 U C6 . 50346 1 268 . 1 . 1 14 14 U N1 N 15 143.814 . . . . . . . . 200 U N1 . 50346 1 269 . 1 . 1 14 14 U N3 N 15 157.934 . . . . . . . . 200 U N3 . 50346 1 270 . 1 . 1 15 15 U H1' H 1 5.854 . . . . . . . . 201 U H1' . 50346 1 271 . 1 . 1 15 15 U H2' H 1 4.588 . . . . . . . . 201 U H2' . 50346 1 272 . 1 . 1 15 15 U H4' H 1 4.553 . . . . . . . . 201 U H4' . 50346 1 273 . 1 . 1 15 15 U H5 H 1 5.813 . . . . . . . . 201 U H5 . 50346 1 274 . 1 . 1 15 15 U H5' H 1 4.327 . . . . . . . . 201 U H5' . 50346 1 275 . 1 . 1 15 15 U H5'' H 1 4.065 . . . . . . . . 201 U H5'' . 50346 1 276 . 1 . 1 15 15 U H6 H 1 7.909 . . . . . . . . 201 U H6 . 50346 1 277 . 1 . 1 15 15 U C1' C 13 91.755 . . . . . . . . 201 U C1' . 50346 1 278 . 1 . 1 15 15 U C2 C 13 154.074 . . . . . . . . 201 U C2 . 50346 1 279 . 1 . 1 15 15 U C2' C 13 75.562 . . . . . . . . 201 U C2' . 50346 1 280 . 1 . 1 15 15 U C4' C 13 83.233 . . . . . . . . 201 U C4' . 50346 1 281 . 1 . 1 15 15 U C5 C 13 105.056 . . . . . . . . 201 U C5 . 50346 1 282 . 1 . 1 15 15 U C5' C 13 66.512 . . . . . . . . 201 U C5' . 50346 1 283 . 1 . 1 15 15 U C6 C 13 143.476 . . . . . . . . 201 U C6 . 50346 1 284 . 1 . 1 15 15 U N1 N 15 144.805 . . . . . . . . 201 U N1 . 50346 1 285 . 1 . 1 15 15 U N3 N 15 158.538 . . . . . . . . 201 U N3 . 50346 1 286 . 1 . 1 16 16 U H1' H 1 6.040 . . . . . . . . 202 U H1' . 50346 1 287 . 1 . 1 16 16 U H2' H 1 4.325 . . . . . . . . 202 U H2' . 50346 1 288 . 1 . 1 16 16 U H3' H 1 4.298 . . . . . . . . 202 U H3' . 50346 1 289 . 1 . 1 16 16 U H4' H 1 4.379 . . . . . . . . 202 U H4' . 50346 1 290 . 1 . 1 16 16 U H5 H 1 6.031 . . . . . . . . 202 U H5 . 50346 1 291 . 1 . 1 16 16 U H5' H 1 4.153 . . . . . . . . 202 U H5' . 50346 1 292 . 1 . 1 16 16 U H5'' H 1 4.030 . . . . . . . . 202 U H5'' . 50346 1 293 . 1 . 1 16 16 U H6 H 1 7.855 . . . . . . . . 202 U H6 . 50346 1 294 . 1 . 1 16 16 U C1' C 13 89.152 . . . . . . . . 202 U C1' . 50346 1 295 . 1 . 1 16 16 U C2 C 13 154.734 . . . . . . . . 202 U C2 . 50346 1 296 . 1 . 1 16 16 U C2' C 13 74.973 . . . . . . . . 202 U C2' . 50346 1 297 . 1 . 1 16 16 U C3' C 13 77.415 . . . . . . . . 202 U C3' . 50346 1 298 . 1 . 1 16 16 U C4' C 13 86.619 . . . . . . . . 202 U C4' . 50346 1 299 . 1 . 1 16 16 U C5 C 13 105.791 . . . . . . . . 202 U C5 . 50346 1 300 . 1 . 1 16 16 U C5' C 13 67.966 . . . . . . . . 202 U C5' . 50346 1 301 . 1 . 1 16 16 U C6 C 13 144.360 . . . . . . . . 202 U C6 . 50346 1 302 . 1 . 1 16 16 U N1 N 15 142.935 . . . . . . . . 202 U N1 . 50346 1 303 . 1 . 1 16 16 U N3 N 15 158.157 . . . . . . . . 202 U N3 . 50346 1 304 . 1 . 1 17 17 C H1' H 1 5.862 . . . . . . . . 203 C H1' . 50346 1 305 . 1 . 1 17 17 C H2' H 1 4.046 . . . . . . . . 203 C H2' . 50346 1 306 . 1 . 1 17 17 C H3' H 1 4.473 . . . . . . . . 203 C H3' . 50346 1 307 . 1 . 1 17 17 C H4' H 1 3.689 . . . . . . . . 203 C H4' . 50346 1 308 . 1 . 1 17 17 C H5 H 1 5.930 . . . . . . . . 203 C H5 . 50346 1 309 . 1 . 1 17 17 C H5' H 1 3.688 . . . . . . . . 203 C H5' . 50346 1 310 . 1 . 1 17 17 C H5'' H 1 3.217 . . . . . . . . 203 C H5'' . 50346 1 311 . 1 . 1 17 17 C H6 H 1 7.575 . . . . . . . . 203 C H6 . 50346 1 312 . 1 . 1 17 17 C H41 H 1 7.074 . . . . . . . . 203 C H41 . 50346 1 313 . 1 . 1 17 17 C H42 H 1 6.595 . . . . . . . . 203 C H42 . 50346 1 314 . 1 . 1 17 17 C C1' C 13 89.580 . . . . . . . . 203 C C1' . 50346 1 315 . 1 . 1 17 17 C C2 C 13 159.765 . . . . . . . . 203 C C2 . 50346 1 316 . 1 . 1 17 17 C C2' C 13 77.652 . . . . . . . . 203 C C2' . 50346 1 317 . 1 . 1 17 17 C C3' C 13 78.967 . . . . . . . . 203 C C3' . 50346 1 318 . 1 . 1 17 17 C C4' C 13 84.979 . . . . . . . . 203 C C4' . 50346 1 319 . 1 . 1 17 17 C C5 C 13 98.543 . . . . . . . . 203 C C5 . 50346 1 320 . 1 . 1 17 17 C C5' C 13 67.796 . . . . . . . . 203 C C5' . 50346 1 321 . 1 . 1 17 17 C C6 C 13 143.124 . . . . . . . . 203 C C6 . 50346 1 322 . 1 . 1 17 17 C N1 N 15 150.483 . . . . . . . . 203 C N1 . 50346 1 323 . 1 . 1 17 17 C N4 N 15 94.44 . . . . . . . . 203 C N4 . 50346 1 324 . 1 . 1 18 18 G H1' H 1 5.922 . . . . . . . . 204 G H1' . 50346 1 325 . 1 . 1 18 18 G H2' H 1 4.893 . . . . . . . . 204 G H2' . 50346 1 326 . 1 . 1 18 18 G H3' H 1 5.172 . . . . . . . . 204 G H3' . 50346 1 327 . 1 . 1 18 18 G H4' H 1 4.426 . . . . . . . . 204 G H4' . 50346 1 328 . 1 . 1 18 18 G H5' H 1 4.222 . . . . . . . . 204 G H5' . 50346 1 329 . 1 . 1 18 18 G H5'' H 1 4.177 . . . . . . . . 204 G H5'' . 50346 1 330 . 1 . 1 18 18 G H8 H 1 7.874 . . . . . . . . 204 G H8 . 50346 1 331 . 1 . 1 18 18 G C1' C 13 92.422 . . . . . . . . 204 G C1' . 50346 1 332 . 1 . 1 18 18 G C2 C 13 156.265 . . . . . . . . 204 G C2 . 50346 1 333 . 1 . 1 18 18 G C2' C 13 75.485 . . . . . . . . 204 G C2' . 50346 1 334 . 1 . 1 18 18 G C3' C 13 76.849 . . . . . . . . 204 G C3' . 50346 1 335 . 1 . 1 18 18 G C4 C 13 153.024 . . . . . . . . 204 G C4 . 50346 1 336 . 1 . 1 18 18 G C4' C 13 84.839 . . . . . . . . 204 G C4' . 50346 1 337 . 1 . 1 18 18 G C5' C 13 68.767 . . . . . . . . 204 G C5' . 50346 1 338 . 1 . 1 18 18 G C8 C 13 141.928 . . . . . . . . 204 G C8 . 50346 1 339 . 1 . 1 18 18 G N1 N 15 145.233 . . . . . . . . 204 G N1 . 50346 1 340 . 1 . 1 18 18 G N7 N 15 234.164 . . . . . . . . 204 G N7 . 50346 1 341 . 1 . 1 18 18 G N9 N 15 169.204 . . . . . . . . 204 G N9 . 50346 1 342 . 1 . 1 19 19 U H1' H 1 5.789 . . . . . . . . 205 U H1' . 50346 1 343 . 1 . 1 19 19 U H2' H 1 4.148 . . . . . . . . 205 U H2' . 50346 1 344 . 1 . 1 19 19 U H3' H 1 4.233 . . . . . . . . 205 U H3' . 50346 1 345 . 1 . 1 19 19 U H4' H 1 4.197 . . . . . . . . 205 U H4' . 50346 1 346 . 1 . 1 19 19 U H5 H 1 5.968 . . . . . . . . 205 U H5 . 50346 1 347 . 1 . 1 19 19 U H5' H 1 4.415 . . . . . . . . 205 U H5' . 50346 1 348 . 1 . 1 19 19 U H5'' H 1 4.258 . . . . . . . . 205 U H5'' . 50346 1 349 . 1 . 1 19 19 U H6 H 1 7.896 . . . . . . . . 205 U H6 . 50346 1 350 . 1 . 1 19 19 U C1' C 13 90.542 . . . . . . . . 205 U C1' . 50346 1 351 . 1 . 1 19 19 U C2 C 13 154.005 . . . . . . . . 205 U C2 . 50346 1 352 . 1 . 1 19 19 U C2' C 13 77.099 . . . . . . . . 205 U C2' . 50346 1 353 . 1 . 1 19 19 U C3' C 13 71.983 . . . . . . . . 205 U C3' . 50346 1 354 . 1 . 1 19 19 U C4' C 13 85.604 . . . . . . . . 205 U C4' . 50346 1 355 . 1 . 1 19 19 U C5 C 13 105.374 . . . . . . . . 205 U C5 . 50346 1 356 . 1 . 1 19 19 U C5' C 13 66.846 . . . . . . . . 205 U C5' . 50346 1 357 . 1 . 1 19 19 U C6 C 13 143.949 . . . . . . . . 205 U C6 . 50346 1 358 . 1 . 1 19 19 U N1 N 15 144.160 . . . . . . . . 205 U N1 . 50346 1 359 . 1 . 1 19 19 U N3 N 15 157.704 . . . . . . . . 205 U N3 . 50346 1 360 . 1 . 1 20 20 C H1' H 1 5.283 . . . . . . . . 206 C H1' . 50346 1 361 . 1 . 1 20 20 C H2' H 1 4.384 . . . . . . . . 206 C H2' . 50346 1 362 . 1 . 1 20 20 C H3' H 1 4.468 . . . . . . . . 206 C H3' . 50346 1 363 . 1 . 1 20 20 C H4' H 1 4.392 . . . . . . . . 206 C H4' . 50346 1 364 . 1 . 1 20 20 C H5 H 1 5.745 . . . . . . . . 206 C H5 . 50346 1 365 . 1 . 1 20 20 C H5' H 1 4.441 . . . . . . . . 206 C H5' . 50346 1 366 . 1 . 1 20 20 C H5'' H 1 4.154 . . . . . . . . 206 C H5'' . 50346 1 367 . 1 . 1 20 20 C H6 H 1 7.802 . . . . . . . . 206 C H6 . 50346 1 368 . 1 . 1 20 20 C H41 H 1 8.552 . . . . . . . . 206 C H41 . 50346 1 369 . 1 . 1 20 20 C H42 H 1 7.179 . . . . . . . . 206 C H42 . 50346 1 370 . 1 . 1 20 20 C C1' C 13 94.071 . . . . . . . . 206 C C1' . 50346 1 371 . 1 . 1 20 20 C C2 C 13 158.870 . . . . . . . . 206 C C2 . 50346 1 372 . 1 . 1 20 20 C C2' C 13 75.497 . . . . . . . . 206 C C2' . 50346 1 373 . 1 . 1 20 20 C C3' C 13 72.287 . . . . . . . . 206 C C3' . 50346 1 374 . 1 . 1 20 20 C C4' C 13 82.252 . . . . . . . . 206 C C4' . 50346 1 375 . 1 . 1 20 20 C C5 C 13 97.998 . . . . . . . . 206 C C5 . 50346 1 376 . 1 . 1 20 20 C C5' C 13 64.816 . . . . . . . . 206 C C5' . 50346 1 377 . 1 . 1 20 20 C C6 C 13 141.717 . . . . . . . . 206 C C6 . 50346 1 378 . 1 . 1 20 20 C N1 N 15 151.655 . . . . . . . . 206 C N1 . 50346 1 379 . 1 . 1 20 20 C N3 N 15 198.087 . . . . . . . . 206 C N3 . 50346 1 380 . 1 . 1 20 20 C N4 N 15 97.926 . . . . . . . . 206 C N4 . 50346 1 381 . 1 . 1 21 21 C H1' H 1 5.551 . . . . . . . . 207 C H1' . 50346 1 382 . 1 . 1 21 21 C H2' H 1 4.579 . . . . . . . . 207 C H2' . 50346 1 383 . 1 . 1 21 21 C H3' H 1 4.561 . . . . . . . . 207 C H3' . 50346 1 384 . 1 . 1 21 21 C H4' H 1 4.419 . . . . . . . . 207 C H4' . 50346 1 385 . 1 . 1 21 21 C H5 H 1 5.610 . . . . . . . . 207 C H5 . 50346 1 386 . 1 . 1 21 21 C H5' H 1 4.532 . . . . . . . . 207 C H5' . 50346 1 387 . 1 . 1 21 21 C H5'' H 1 4.098 . . . . . . . . 207 C H5'' . 50346 1 388 . 1 . 1 21 21 C H6 H 1 7.805 . . . . . . . . 207 C H6 . 50346 1 389 . 1 . 1 21 21 C H41 H 1 8.398 . . . . . . . . 207 C H41 . 50346 1 390 . 1 . 1 21 21 C H42 H 1 6.841 . . . . . . . . 207 C H42 . 50346 1 391 . 1 . 1 21 21 C C1' C 13 93.811 . . . . . . . . 207 C C1' . 50346 1 392 . 1 . 1 21 21 C C2 C 13 158.679 . . . . . . . . 207 C C2 . 50346 1 393 . 1 . 1 21 21 C C2' C 13 75.420 . . . . . . . . 207 C C2' . 50346 1 394 . 1 . 1 21 21 C C3' C 13 72.439 . . . . . . . . 207 C C3' . 50346 1 395 . 1 . 1 21 21 C C4' C 13 81.865 . . . . . . . . 207 C C4' . 50346 1 396 . 1 . 1 21 21 C C5 C 13 98.094 . . . . . . . . 207 C C5 . 50346 1 397 . 1 . 1 21 21 C C5' C 13 64.843 . . . . . . . . 207 C C5' . 50346 1 398 . 1 . 1 21 21 C C6 C 13 141.025 . . . . . . . . 207 C C6 . 50346 1 399 . 1 . 1 21 21 C N1 N 15 150.473 . . . . . . . . 207 C N1 . 50346 1 400 . 1 . 1 21 21 C N3 N 15 196.150 . . . . . . . . 207 C N3 . 50346 1 401 . 1 . 1 21 21 C N4 N 15 97.984 . . . . . . . . 207 C N4 . 50346 1 402 . 1 . 1 22 22 G H1 H 1 12.816 . . . . . . . . 208 G H1 . 50346 1 403 . 1 . 1 22 22 G H1' H 1 5.704 . . . . . . . . 208 G H1' . 50346 1 404 . 1 . 1 22 22 G H2' H 1 4.487 . . . . . . . . 208 G H2' . 50346 1 405 . 1 . 1 22 22 G H3' H 1 4.516 . . . . . . . . 208 G H3' . 50346 1 406 . 1 . 1 22 22 G H4' H 1 4.483 . . . . . . . . 208 G H4' . 50346 1 407 . 1 . 1 22 22 G H5' H 1 4.537 . . . . . . . . 208 G H5' . 50346 1 408 . 1 . 1 22 22 G H5'' H 1 4.097 . . . . . . . . 208 G H5'' . 50346 1 409 . 1 . 1 22 22 G H8 H 1 7.503 . . . . . . . . 208 G H8 . 50346 1 410 . 1 . 1 22 22 G C1' C 13 93.173 . . . . . . . . 208 G C1' . 50346 1 411 . 1 . 1 22 22 G C2 C 13 156.330 . . . . . . . . 208 G C2 . 50346 1 412 . 1 . 1 22 22 G C2' C 13 75.349 . . . . . . . . 208 G C2' . 50346 1 413 . 1 . 1 22 22 G C3' C 13 73.107 . . . . . . . . 208 G C3' . 50346 1 414 . 1 . 1 22 22 G C4 C 13 152.364 . . . . . . . . 208 G C4 . 50346 1 415 . 1 . 1 22 22 G C4' C 13 82.116 . . . . . . . . 208 G C4' . 50346 1 416 . 1 . 1 22 22 G C5' C 13 65.811 . . . . . . . . 208 G C5' . 50346 1 417 . 1 . 1 22 22 G C6 C 13 161.421 . . . . . . . . 208 G C6 . 50346 1 418 . 1 . 1 22 22 G C8 C 13 136.209 . . . . . . . . 208 G C8 . 50346 1 419 . 1 . 1 22 22 G N1 N 15 147.487 . . . . . . . . 208 G N1 . 50346 1 420 . 1 . 1 22 22 G N7 N 15 234.762 . . . . . . . . 208 G N7 . 50346 1 421 . 1 . 1 22 22 G N9 N 15 168.820 . . . . . . . . 208 G N9 . 50346 1 422 . 1 . 1 23 23 U H1' H 1 5.589 . . . . . . . . 209 U H1' . 50346 1 423 . 1 . 1 23 23 U H2' H 1 4.525 . . . . . . . . 209 U H2' . 50346 1 424 . 1 . 1 23 23 U H3 H 1 13.708 . . . . . . . . 209 U H3 . 50346 1 425 . 1 . 1 23 23 U H3' H 1 4.468 . . . . . . . . 209 U H3' . 50346 1 426 . 1 . 1 23 23 U H4' H 1 4.410 . . . . . . . . 209 U H4' . 50346 1 427 . 1 . 1 23 23 U H5 H 1 5.071 . . . . . . . . 209 U H5 . 50346 1 428 . 1 . 1 23 23 U H5' H 1 4.516 . . . . . . . . 209 U H5' . 50346 1 429 . 1 . 1 23 23 U H5'' H 1 4.063 . . . . . . . . 209 U H5'' . 50346 1 430 . 1 . 1 23 23 U H6 H 1 7.573 . . . . . . . . 209 U H6 . 50346 1 431 . 1 . 1 23 23 U C1' C 13 93.006 . . . . . . . . 209 U C1' . 50346 1 432 . 1 . 1 23 23 U C2 C 13 152.727 . . . . . . . . 209 U C2 . 50346 1 433 . 1 . 1 23 23 U C2' C 13 75.679 . . . . . . . . 209 U C2' . 50346 1 434 . 1 . 1 23 23 U C3' C 13 73.130 . . . . . . . . 209 U C3' . 50346 1 435 . 1 . 1 23 23 U C4' C 13 82.662 . . . . . . . . 209 U C4' . 50346 1 436 . 1 . 1 23 23 U C5 C 13 103.168 . . . . . . . . 209 U C5 . 50346 1 437 . 1 . 1 23 23 U C5' C 13 65.036 . . . . . . . . 209 U C5' . 50346 1 438 . 1 . 1 23 23 U C6 C 13 141.060 . . . . . . . . 209 U C6 . 50346 1 439 . 1 . 1 23 23 U N1 N 15 145.473 . . . . . . . . 209 U N1 . 50346 1 440 . 1 . 1 23 23 U N3 N 15 161.677 . . . . . . . . 209 U N3 . 50346 1 441 . 1 . 1 24 24 G H1' H 1 5.665 . . . . . . . . 210 G H1' . 50346 1 442 . 1 . 1 24 24 G H2' H 1 4.473 . . . . . . . . 210 G H2' . 50346 1 443 . 1 . 1 24 24 G H3' H 1 4.511 . . . . . . . . 210 G H3' . 50346 1 444 . 1 . 1 24 24 G H4' H 1 4.462 . . . . . . . . 210 G H4' . 50346 1 445 . 1 . 1 24 24 G H5' H 1 4.340 . . . . . . . . 210 G H5' . 50346 1 446 . 1 . 1 24 24 G H5'' H 1 4.078 . . . . . . . . 210 G H5'' . 50346 1 447 . 1 . 1 24 24 G H8 H 1 7.701 . . . . . . . . 210 G H8 . 50346 1 448 . 1 . 1 24 24 G C1' C 13 91.756 . . . . . . . . 210 G C1' . 50346 1 449 . 1 . 1 24 24 G C2 C 13 155.517 . . . . . . . . 210 G C2 . 50346 1 450 . 1 . 1 24 24 G C2' C 13 75.647 . . . . . . . . 210 G C2' . 50346 1 451 . 1 . 1 24 24 G C3' C 13 75.041 . . . . . . . . 210 G C3' . 50346 1 452 . 1 . 1 24 24 G C4 C 13 152.984 . . . . . . . . 210 G C4 . 50346 1 453 . 1 . 1 24 24 G C4' C 13 83.692 . . . . . . . . 210 G C4' . 50346 1 454 . 1 . 1 24 24 G C5' C 13 66.738 . . . . . . . . 210 G C5' . 50346 1 455 . 1 . 1 24 24 G C8 C 13 137.788 . . . . . . . . 210 G C8 . 50346 1 456 . 1 . 1 24 24 G N1 N 15 146.199 . . . . . . . . 210 G N1 . 50346 1 457 . 1 . 1 24 24 G N7 N 15 237.095 . . . . . . . . 210 G N7 . 50346 1 458 . 1 . 1 24 24 G N9 N 15 168.649 . . . . . . . . 210 G N9 . 50346 1 459 . 1 . 1 25 25 U H1' H 1 5.647 . . . . . . . . 211 U H1' . 50346 1 460 . 1 . 1 25 25 U H2' H 1 4.270 . . . . . . . . 211 U H2' . 50346 1 461 . 1 . 1 25 25 U H3' H 1 4.457 . . . . . . . . 211 U H3' . 50346 1 462 . 1 . 1 25 25 U H4' H 1 4.418 . . . . . . . . 211 U H4' . 50346 1 463 . 1 . 1 25 25 U H5 H 1 5.414 . . . . . . . . 211 U H5 . 50346 1 464 . 1 . 1 25 25 U H5' H 1 4.417 . . . . . . . . 211 U H5' . 50346 1 465 . 1 . 1 25 25 U H5'' H 1 4.178 . . . . . . . . 211 U H5'' . 50346 1 466 . 1 . 1 25 25 U H6 H 1 7.640 . . . . . . . . 211 U H6 . 50346 1 467 . 1 . 1 25 25 U C1' C 13 91.893 . . . . . . . . 211 U C1' . 50346 1 468 . 1 . 1 25 25 U C2 C 13 153.807 . . . . . . . . 211 U C2 . 50346 1 469 . 1 . 1 25 25 U C2' C 13 75.678 . . . . . . . . 211 U C2' . 50346 1 470 . 1 . 1 25 25 U C3' C 13 74.972 . . . . . . . . 211 U C3' . 50346 1 471 . 1 . 1 25 25 U C4' C 13 84.469 . . . . . . . . 211 U C4' . 50346 1 472 . 1 . 1 25 25 U C5 C 13 104.239 . . . . . . . . 211 U C5 . 50346 1 473 . 1 . 1 25 25 U C5' C 13 66.574 . . . . . . . . 211 U C5' . 50346 1 474 . 1 . 1 25 25 U C6 C 13 142.739 . . . . . . . . 211 U C6 . 50346 1 475 . 1 . 1 25 25 U N1 N 15 144.454 . . . . . . . . 211 U N1 . 50346 1 476 . 1 . 1 25 25 U N3 N 15 157.630 . . . . . . . . 211 U N3 . 50346 1 477 . 1 . 1 26 26 U H1' H 1 5.574 . . . . . . . . 212 U H1' . 50346 1 478 . 1 . 1 26 26 U H2' H 1 4.581 . . . . . . . . 212 U H2' . 50346 1 479 . 1 . 1 26 26 U H3' H 1 4.566 . . . . . . . . 212 U H3' . 50346 1 480 . 1 . 1 26 26 U H4' H 1 4.452 . . . . . . . . 212 U H4' . 50346 1 481 . 1 . 1 26 26 U H5 H 1 5.716 . . . . . . . . 212 U H5 . 50346 1 482 . 1 . 1 26 26 U H5' H 1 4.403 . . . . . . . . 212 U H5' . 50346 1 483 . 1 . 1 26 26 U H5'' H 1 4.156 . . . . . . . . 212 U H5'' . 50346 1 484 . 1 . 1 26 26 U H6 H 1 7.881 . . . . . . . . 212 U H6 . 50346 1 485 . 1 . 1 26 26 U C1' C 13 93.676 . . . . . . . . 212 U C1' . 50346 1 486 . 1 . 1 26 26 U C2 C 13 152.958 . . . . . . . . 212 U C2 . 50346 1 487 . 1 . 1 26 26 U C2' C 13 75.205 . . . . . . . . 212 U C2' . 50346 1 488 . 1 . 1 26 26 U C3' C 13 73.628 . . . . . . . . 212 U C3' . 50346 1 489 . 1 . 1 26 26 U C4' C 13 83.129 . . . . . . . . 212 U C4' . 50346 1 490 . 1 . 1 26 26 U C5 C 13 104.259 . . . . . . . . 212 U C5 . 50346 1 491 . 1 . 1 26 26 U C5' C 13 65.944 . . . . . . . . 212 U C5' . 50346 1 492 . 1 . 1 26 26 U C6 C 13 143.181 . . . . . . . . 212 U C6 . 50346 1 493 . 1 . 1 26 26 U N1 N 15 146.582 . . . . . . . . 212 U N1 . 50346 1 494 . 1 . 1 26 26 U N3 N 15 156.581 . . . . . . . . 212 U N3 . 50346 1 495 . 1 . 1 27 27 G H1 H 1 13.161 . . . . . . . . 213 G H1 . 50346 1 496 . 1 . 1 27 27 G H1' H 1 5.766 . . . . . . . . 213 G H1' . 50346 1 497 . 1 . 1 27 27 G H2' H 1 4.499 . . . . . . . . 213 G H2' . 50346 1 498 . 1 . 1 27 27 G H3' H 1 4.585 . . . . . . . . 213 G H3' . 50346 1 499 . 1 . 1 27 27 G H4' H 1 4.421 . . . . . . . . 213 G H4' . 50346 1 500 . 1 . 1 27 27 G H5' H 1 4.327 . . . . . . . . 213 G H5' . 50346 1 501 . 1 . 1 27 27 G H5'' H 1 4.071 . . . . . . . . 213 G H5'' . 50346 1 502 . 1 . 1 27 27 G H8 H 1 7.848 . . . . . . . . 213 G H8 . 50346 1 503 . 1 . 1 27 27 G C1' C 13 91.721 . . . . . . . . 213 G C1' . 50346 1 504 . 1 . 1 27 27 G C2 C 13 157.077 . . . . . . . . 213 G C2 . 50346 1 505 . 1 . 1 27 27 G C2' C 13 75.367 . . . . . . . . 213 G C2' . 50346 1 506 . 1 . 1 27 27 G C3' C 13 74.237 . . . . . . . . 213 G C3' . 50346 1 507 . 1 . 1 27 27 G C4' C 13 82.660 . . . . . . . . 213 G C4' . 50346 1 508 . 1 . 1 27 27 G C5' C 13 66.560 . . . . . . . . 213 G C5' . 50346 1 509 . 1 . 1 27 27 G C6 C 13 161.911 . . . . . . . . 213 G C6 . 50346 1 510 . 1 . 1 27 27 G C8 C 13 136.940 . . . . . . . . 213 G C8 . 50346 1 511 . 1 . 1 27 27 G N1 N 15 148.610 . . . . . . . . 213 G N1 . 50346 1 512 . 1 . 1 27 27 G N7 N 15 235.454 . . . . . . . . 213 G N7 . 50346 1 513 . 1 . 1 27 27 G N9 N 15 168.908 . . . . . . . . 213 G N9 . 50346 1 514 . 1 . 1 28 28 C H1' H 1 5.554 . . . . . . . . 214 C H1' . 50346 1 515 . 1 . 1 28 28 C H2' H 1 4.485 . . . . . . . . 214 C H2' . 50346 1 516 . 1 . 1 28 28 C H3' H 1 4.605 . . . . . . . . 214 C H3' . 50346 1 517 . 1 . 1 28 28 C H4' H 1 4.485 . . . . . . . . 214 C H4' . 50346 1 518 . 1 . 1 28 28 C H5 H 1 5.316 . . . . . . . . 214 C H5 . 50346 1 519 . 1 . 1 28 28 C H5' H 1 4.444 . . . . . . . . 214 C H5' . 50346 1 520 . 1 . 1 28 28 C H5'' H 1 4.107 . . . . . . . . 214 C H5'' . 50346 1 521 . 1 . 1 28 28 C H6 H 1 7.609 . . . . . . . . 214 C H6 . 50346 1 522 . 1 . 1 28 28 C H41 H 1 8.567 . . . . . . . . 214 C H41 . 50346 1 523 . 1 . 1 28 28 C H42 H 1 6.849 . . . . . . . . 214 C H42 . 50346 1 524 . 1 . 1 28 28 C C1' C 13 94.210 . . . . . . . . 214 C C1' . 50346 1 525 . 1 . 1 28 28 C C2 C 13 159.006 . . . . . . . . 214 C C2 . 50346 1 526 . 1 . 1 28 28 C C2' C 13 75.573 . . . . . . . . 214 C C2' . 50346 1 527 . 1 . 1 28 28 C C3' C 13 72.847 . . . . . . . . 214 C C3' . 50346 1 528 . 1 . 1 28 28 C C4' C 13 82.275 . . . . . . . . 214 C C4' . 50346 1 529 . 1 . 1 28 28 C C5 C 13 97.673 . . . . . . . . 214 C C5 . 50346 1 530 . 1 . 1 28 28 C C5' C 13 65.819 . . . . . . . . 214 C C5' . 50346 1 531 . 1 . 1 28 28 C C6 C 13 141.330 . . . . . . . . 214 C C6 . 50346 1 532 . 1 . 1 28 28 C N1 N 15 150.657 . . . . . . . . 214 C N1 . 50346 1 533 . 1 . 1 28 28 C N3 N 15 197.276 . . . . . . . . 214 C N3 . 50346 1 534 . 1 . 1 28 28 C N4 N 15 97.436 . . . . . . . . 214 C N4 . 50346 1 535 . 1 . 1 29 29 A H1' H 1 5.953 . . . . . . . . 215 A H1' . 50346 1 536 . 1 . 1 29 29 A H2 H 1 7.008 . . . . . . . . 215 A H2 . 50346 1 537 . 1 . 1 29 29 A H2' H 1 4.675 . . . . . . . . 215 A H2' . 50346 1 538 . 1 . 1 29 29 A H3' H 1 4.725 . . . . . . . . 215 A H3' . 50346 1 539 . 1 . 1 29 29 A H4' H 1 4.521 . . . . . . . . 215 A H4' . 50346 1 540 . 1 . 1 29 29 A H5' H 1 4.569 . . . . . . . . 215 A H5' . 50346 1 541 . 1 . 1 29 29 A H5'' H 1 4.182 . . . . . . . . 215 A H5'' . 50346 1 542 . 1 . 1 29 29 A H8 H 1 8.050 . . . . . . . . 215 A H8 . 50346 1 543 . 1 . 1 29 29 A C1' C 13 92.946 . . . . . . . . 215 A C1' . 50346 1 544 . 1 . 1 29 29 A C2 C 13 152.424 . . . . . . . . 215 A C2 . 50346 1 545 . 1 . 1 29 29 A C2' C 13 75.797 . . . . . . . . 215 A C2' . 50346 1 546 . 1 . 1 29 29 A C3' C 13 73.156 . . . . . . . . 215 A C3' . 50346 1 547 . 1 . 1 29 29 A C4 C 13 148.964 . . . . . . . . 215 A C4 . 50346 1 548 . 1 . 1 29 29 A C4' C 13 82.027 . . . . . . . . 215 A C4' . 50346 1 549 . 1 . 1 29 29 A C5' C 13 65.492 . . . . . . . . 215 A C5' . 50346 1 550 . 1 . 1 29 29 A C8 C 13 139.537 . . . . . . . . 215 A C8 . 50346 1 551 . 1 . 1 29 29 A N1 N 15 220.826 . . . . . . . . 215 A N1 . 50346 1 552 . 1 . 1 29 29 A N3 N 15 213.318 . . . . . . . . 215 A N3 . 50346 1 553 . 1 . 1 29 29 A N7 N 15 230.716 . . . . . . . . 215 A N7 . 50346 1 554 . 1 . 1 29 29 A N9 N 15 170.129 . . . . . . . . 215 A N9 . 50346 1 555 . 1 . 1 30 30 G H1 H 1 13.420 . . . . . . . . 216 G H1 . 50346 1 556 . 1 . 1 30 30 G H1' H 1 5.636 . . . . . . . . 216 G H1' . 50346 1 557 . 1 . 1 30 30 G H2' H 1 4.414 . . . . . . . . 216 G H2' . 50346 1 558 . 1 . 1 30 30 G H3' H 1 4.471 . . . . . . . . 216 G H3' . 50346 1 559 . 1 . 1 30 30 G H4' H 1 4.463 . . . . . . . . 216 G H4' . 50346 1 560 . 1 . 1 30 30 G H5' H 1 4.502 . . . . . . . . 216 G H5' . 50346 1 561 . 1 . 1 30 30 G H5'' H 1 4.086 . . . . . . . . 216 G H5'' . 50346 1 562 . 1 . 1 30 30 G H8 H 1 7.325 . . . . . . . . 216 G H8 . 50346 1 563 . 1 . 1 30 30 G C1' C 13 92.616 . . . . . . . . 216 G C1' . 50346 1 564 . 1 . 1 30 30 G C2 C 13 157.057 . . . . . . . . 216 G C2 . 50346 1 565 . 1 . 1 30 30 G C2' C 13 75.394 . . . . . . . . 216 G C2' . 50346 1 566 . 1 . 1 30 30 G C3' C 13 72.818 . . . . . . . . 216 G C3' . 50346 1 567 . 1 . 1 30 30 G C4 C 13 151.397 . . . . . . . . 216 G C4 . 50346 1 568 . 1 . 1 30 30 G C4' C 13 81.933 . . . . . . . . 216 G C4' . 50346 1 569 . 1 . 1 30 30 G C5' C 13 65.492 . . . . . . . . 216 G C5' . 50346 1 570 . 1 . 1 30 30 G C6 C 13 161.492 . . . . . . . . 216 G C6 . 50346 1 571 . 1 . 1 30 30 G C8 C 13 135.756 . . . . . . . . 216 G C8 . 50346 1 572 . 1 . 1 30 30 G N1 N 15 148.592 . . . . . . . . 216 G N1 . 50346 1 573 . 1 . 1 30 30 G N7 N 15 234.218 . . . . . . . . 216 G N7 . 50346 1 574 . 1 . 1 30 30 G N9 N 15 169.056 . . . . . . . . 216 G N9 . 50346 1 575 . 1 . 1 31 31 C H1' H 1 5.506 . . . . . . . . 217 C H1' . 50346 1 576 . 1 . 1 31 31 C H2' H 1 4.372 . . . . . . . . 217 C H2' . 50346 1 577 . 1 . 1 31 31 C H3' H 1 4.408 . . . . . . . . 217 C H3' . 50346 1 578 . 1 . 1 31 31 C H4' H 1 4.410 . . . . . . . . 217 C H4' . 50346 1 579 . 1 . 1 31 31 C H5 H 1 5.200 . . . . . . . . 217 C H5 . 50346 1 580 . 1 . 1 31 31 C H5' H 1 4.528 . . . . . . . . 217 C H5' . 50346 1 581 . 1 . 1 31 31 C H5'' H 1 4.057 . . . . . . . . 217 C H5'' . 50346 1 582 . 1 . 1 31 31 C H6 H 1 7.640 . . . . . . . . 217 C H6 . 50346 1 583 . 1 . 1 31 31 C H41 H 1 8.604 . . . . . . . . 217 C H41 . 50346 1 584 . 1 . 1 31 31 C H42 H 1 6.861 . . . . . . . . 217 C H42 . 50346 1 585 . 1 . 1 31 31 C C1' C 13 93.924 . . . . . . . . 217 C C1' . 50346 1 586 . 1 . 1 31 31 C C2 C 13 158.600 . . . . . . . . 217 C C2 . 50346 1 587 . 1 . 1 31 31 C C2' C 13 75.531 . . . . . . . . 217 C C2' . 50346 1 588 . 1 . 1 31 31 C C3' C 13 72.234 . . . . . . . . 217 C C3' . 50346 1 589 . 1 . 1 31 31 C C4' C 13 81.883 . . . . . . . . 217 C C4' . 50346 1 590 . 1 . 1 31 31 C C5 C 13 97.076 . . . . . . . . 217 C C5 . 50346 1 591 . 1 . 1 31 31 C C5' C 13 64.548 . . . . . . . . 217 C C5' . 50346 1 592 . 1 . 1 31 31 C C6 C 13 140.926 . . . . . . . . 217 C C6 . 50346 1 593 . 1 . 1 31 31 C N1 N 15 150.885 . . . . . . . . 217 C N1 . 50346 1 594 . 1 . 1 31 31 C N3 N 15 198.064 . . . . . . . . 217 C N3 . 50346 1 595 . 1 . 1 31 31 C N4 N 15 99.051 . . . . . . . . 217 C N4 . 50346 1 596 . 1 . 1 32 32 C H1' H 1 5.522 . . . . . . . . 218 C H1' . 50346 1 597 . 1 . 1 32 32 C H2' H 1 4.222 . . . . . . . . 218 C H2' . 50346 1 598 . 1 . 1 32 32 C H3' H 1 4.391 . . . . . . . . 218 C H3' . 50346 1 599 . 1 . 1 32 32 C H4' H 1 4.463 . . . . . . . . 218 C H4' . 50346 1 600 . 1 . 1 32 32 C H5 H 1 5.500 . . . . . . . . 218 C H5 . 50346 1 601 . 1 . 1 32 32 C H5'' H 1 4.045 . . . . . . . . 218 C H5'' . 50346 1 602 . 1 . 1 32 32 C H6 H 1 7.770 . . . . . . . . 218 C H6 . 50346 1 603 . 1 . 1 32 32 C H41 H 1 8.518 . . . . . . . . 218 C H41 . 50346 1 604 . 1 . 1 32 32 C H42 H 1 6.886 . . . . . . . . 218 C H42 . 50346 1 605 . 1 . 1 32 32 C C1' C 13 94.725 . . . . . . . . 218 C C1' . 50346 1 606 . 1 . 1 32 32 C C2 C 13 158.992 . . . . . . . . 218 C C2 . 50346 1 607 . 1 . 1 32 32 C C2' C 13 75.616 . . . . . . . . 218 C C2' . 50346 1 608 . 1 . 1 32 32 C C3' C 13 72.346 . . . . . . . . 218 C C3' . 50346 1 609 . 1 . 1 32 32 C C4' C 13 81.989 . . . . . . . . 218 C C4' . 50346 1 610 . 1 . 1 32 32 C C5 C 13 97.756 . . . . . . . . 218 C C5 . 50346 1 611 . 1 . 1 32 32 C C5' C 13 64.548 . . . . . . . . 218 C C5' . 50346 1 612 . 1 . 1 32 32 C C6 C 13 141.491 . . . . . . . . 218 C C6 . 50346 1 613 . 1 . 1 32 32 C N1 N 15 151.027 . . . . . . . . 218 C N1 . 50346 1 614 . 1 . 1 32 32 C N3 N 15 197.822 . . . . . . . . 218 C N3 . 50346 1 615 . 1 . 1 32 32 C N4 N 15 98.278 . . . . . . . . 218 C N4 . 50346 1 616 . 1 . 1 33 33 C H1' H 1 6.104 . . . . . . . . +1 C H1' . 50346 1 617 . 1 . 1 33 33 C H2' H 1 4.638 . . . . . . . . +1 C H2' . 50346 1 618 . 1 . 1 33 33 C H3' H 1 4.957 . . . . . . . . +1 C H3' . 50346 1 619 . 1 . 1 33 33 C H4' H 1 4.428 . . . . . . . . +1 C H4' . 50346 1 620 . 1 . 1 33 33 C H5 H 1 5.542 . . . . . . . . +1 C H5 . 50346 1 621 . 1 . 1 33 33 C H5' H 1 4.533 . . . . . . . . +1 C H5' . 50346 1 622 . 1 . 1 33 33 C H5'' H 1 4.097 . . . . . . . . +1 C H5'' . 50346 1 623 . 1 . 1 33 33 C H6 H 1 7.516 . . . . . . . . +1 C H6 . 50346 1 624 . 1 . 1 33 33 C H41 H 1 8.438 . . . . . . . . +1 C H41 . 50346 1 625 . 1 . 1 33 33 C H42 H 1 7.075 . . . . . . . . +1 C H42 . 50346 1 626 . 1 . 1 33 33 C C1' C 13 91.986 . . . . . . . . +1 C C1' . 50346 1 627 . 1 . 1 33 33 C C2 C 13 159.782 . . . . . . . . +1 C C2 . 50346 1 628 . 1 . 1 33 33 C C2' C 13 85.205 . . . . . . . . +1 C C2' . 50346 1 629 . 1 . 1 33 33 C C3' C 13 77.946 . . . . . . . . +1 C C3' . 50346 1 630 . 1 . 1 33 33 C C4' C 13 85.548 . . . . . . . . +1 C C4' . 50346 1 631 . 1 . 1 33 33 C C5 C 13 99.079 . . . . . . . . +1 C C5 . 50346 1 632 . 1 . 1 33 33 C C5' C 13 65.799 . . . . . . . . +1 C C5' . 50346 1 633 . 1 . 1 33 33 C C6 C 13 141.837 . . . . . . . . +1 C C6 . 50346 1 634 . 1 . 1 33 33 C N1 N 15 150.102 . . . . . . . . +1 C N1 . 50346 1 635 . 1 . 1 33 33 C N4 N 15 98.858 . . . . . . . . +1 C N4 . 50346 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_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50346 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Chemical shift list' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 12 NOESY-JR[15N]-Amino . . . 50346 2 13 HSQC[15N] . . . 50346 2 14 HSQC[15N]-2J . . . 50346 2 15 HSQC[15N]-2J . . . 50346 2 16 TROSY[15N] . . . 50346 2 17 HNN-COSY[15N] . . . 50346 2 18 HSQC[15N]-Amino . . . 50346 2 19 TOCSY . . . 50346 2 20 HNN-COSY[15N] . . . 50346 2 21 '2D HSQC HC' . . . 50346 2 22 NOESY[15N]-Imino . . . 50346 2 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 2 $software_2 . . 50346 2 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 G H1 H 1 12.820 0.009 . . . . . . . -1 G H1 . 50346 2 2 . 1 . 1 1 1 G C6 C 13 162.409 0.000 . . . . . . . -1 G C6 . 50346 2 3 . 1 . 1 1 1 G N1 N 15 147.345 0.000 . . . . . . . -1 G N1 . 50346 2 4 . 1 . 1 2 2 G H1 H 1 12.902 0.003 . . . . . . . 188 G H1 . 50346 2 5 . 1 . 1 2 2 G H8 H 1 7.563 0.000 . . . . . . . 188 G H8 . 50346 2 6 . 1 . 1 2 2 G C2 C 13 156.437 0.000 . . . . . . . 188 G C2 . 50346 2 7 . 1 . 1 2 2 G C6 C 13 161.638 0.000 . . . . . . . 188 G C6 . 50346 2 8 . 1 . 1 2 2 G C8 C 13 136.667 0.000 . . . . . . . 188 G C8 . 50346 2 9 . 1 . 1 2 2 G N1 N 15 147.799 0.005 . . . . . . . 188 G N1 . 50346 2 10 . 1 . 1 3 3 G H1 H 1 13.304 0.003 . . . . . . . 189 G H1 . 50346 2 11 . 1 . 1 3 3 G H8 H 1 7.270 0.000 . . . . . . . 189 G H8 . 50346 2 12 . 1 . 1 3 3 G C2 C 13 156.950 0.000 . . . . . . . 189 G C2 . 50346 2 13 . 1 . 1 3 3 G C6 C 13 161.723 0.000 . . . . . . . 189 G C6 . 50346 2 14 . 1 . 1 3 3 G C8 C 13 135.866 0.004 . . . . . . . 189 G C8 . 50346 2 15 . 1 . 1 3 3 G N1 N 15 148.927 0.001 . . . . . . . 189 G N1 . 50346 2 16 . 1 . 1 4 4 C H6 H 1 7.607 0.000 . . . . . . . 190 C H6 . 50346 2 17 . 1 . 1 4 4 C C6 C 13 140.938 0.000 . . . . . . . 190 C C6 . 50346 2 18 . 1 . 1 4 4 C N3 N 15 197.435 0.000 . . . . . . . 190 C N3 . 50346 2 19 . 1 . 1 5 5 U H3 H 1 13.577 0.001 . . . . . . . 191 U H3 . 50346 2 20 . 1 . 1 5 5 U C2 C 13 152.702 0.000 . . . . . . . 191 U C2 . 50346 2 21 . 1 . 1 5 5 U C4 C 13 169.608 0.000 . . . . . . . 191 U C4 . 50346 2 22 . 1 . 1 5 5 U C6 C 13 141.540 0.000 . . . . . . . 191 U C6 . 50346 2 23 . 1 . 1 5 5 U N3 N 15 162.208 0.008 . . . . . . . 191 U N3 . 50346 2 24 . 1 . 1 6 6 G H1 H 1 12.539 0.002 . . . . . . . 192 G H1 . 50346 2 25 . 1 . 1 6 6 G H8 H 1 7.797 0.000 . . . . . . . 192 G H8 . 50346 2 26 . 1 . 1 6 6 G C2 C 13 156.529 0.000 . . . . . . . 192 G C2 . 50346 2 27 . 1 . 1 6 6 G C6 C 13 161.324 0.000 . . . . . . . 192 G C6 . 50346 2 28 . 1 . 1 6 6 G C8 C 13 136.334 0.008 . . . . . . . 192 G C8 . 50346 2 29 . 1 . 1 6 6 G N1 N 15 147.522 0.004 . . . . . . . 192 G N1 . 50346 2 30 . 1 . 1 7 7 C H6 H 1 7.460 0.000 . . . . . . . 193 C H6 . 50346 2 31 . 1 . 1 7 7 C H41 H 1 8.247 0.000 . . . . . . . 193 C H41 . 50346 2 32 . 1 . 1 7 7 C H42 H 1 7.010 0.000 . . . . . . . 193 C H42 . 50346 2 33 . 1 . 1 7 7 C C6 C 13 140.406 0.000 . . . . . . . 193 C C6 . 50346 2 34 . 1 . 1 7 7 C N3 N 15 196.178 0.000 . . . . . . . 193 C N3 . 50346 2 35 . 1 . 1 8 8 U H3 H 1 11.341 0.001 . . . . . . . 194 U H3 . 50346 2 36 . 1 . 1 8 8 U H6 H 1 7.750 0.000 . . . . . . . 194 U H6 . 50346 2 37 . 1 . 1 8 8 U C2 C 13 154.323 0.000 . . . . . . . 194 U C2 . 50346 2 38 . 1 . 1 8 8 U C4 C 13 167.143 0.000 . . . . . . . 194 U C4 . 50346 2 39 . 1 . 1 8 8 U C6 C 13 140.946 0.012 . . . . . . . 194 U C6 . 50346 2 40 . 1 . 1 9 9 U H6 H 1 7.810 0.000 . . . . . . . 195 U H6 . 50346 2 41 . 1 . 1 9 9 U C6 C 13 142.611 0.000 . . . . . . . 195 U C6 . 50346 2 42 . 1 . 1 10 10 A H2 H 1 7.658 0.000 . . . . . . . 196 A H2 . 50346 2 43 . 1 . 1 10 10 A H8 H 1 8.388 0.000 . . . . . . . 196 A H8 . 50346 2 44 . 1 . 1 10 10 A C8 C 13 140.973 0.000 . . . . . . . 196 A C8 . 50346 2 45 . 1 . 1 10 10 A N1 N 15 222.709 0.000 . . . . . . . 196 A N1 . 50346 2 46 . 1 . 1 11 11 C H6 H 1 7.533 0.000 . . . . . . . 197 C H6 . 50346 2 47 . 1 . 1 11 11 C C6 C 13 140.683 0.000 . . . . . . . 197 C C6 . 50346 2 48 . 1 . 1 11 11 C N3 N 15 196.996 0.000 . . . . . . . 197 C N3 . 50346 2 49 . 1 . 1 12 12 G H1 H 1 12.586 0.004 . . . . . . . 198 G H1 . 50346 2 50 . 1 . 1 12 12 G C2 C 13 155.760 0.000 . . . . . . . 198 G C2 . 50346 2 51 . 1 . 1 12 12 G C6 C 13 161.305 0.000 . . . . . . . 198 G C6 . 50346 2 52 . 1 . 1 12 12 G C8 C 13 136.085 0.000 . . . . . . . 198 G C8 . 50346 2 53 . 1 . 1 12 12 G N1 N 15 146.906 0.007 . . . . . . . 198 G N1 . 50346 2 54 . 1 . 1 13 13 G H1 H 1 13.423 0.001 . . . . . . . 199 G H1 . 50346 2 55 . 1 . 1 13 13 G H8 H 1 7.235 0.000 . . . . . . . 199 G H8 . 50346 2 56 . 1 . 1 13 13 G C2 C 13 156.899 0.000 . . . . . . . 199 G C2 . 50346 2 57 . 1 . 1 13 13 G C6 C 13 161.963 0.000 . . . . . . . 199 G C6 . 50346 2 58 . 1 . 1 13 13 G C8 C 13 136.197 0.011 . . . . . . . 199 G C8 . 50346 2 59 . 1 . 1 13 13 G N1 N 15 148.674 0.001 . . . . . . . 199 G N1 . 50346 2 60 . 1 . 1 15 15 U H6 H 1 7.941 0.000 . . . . . . . 201 U H6 . 50346 2 61 . 1 . 1 15 15 U C6 C 13 143.301 0.000 . . . . . . . 201 U C6 . 50346 2 62 . 1 . 1 16 16 U H6 H 1 7.869 0.000 . . . . . . . 202 U H6 . 50346 2 63 . 1 . 1 16 16 U C6 C 13 144.349 0.000 . . . . . . . 202 U C6 . 50346 2 64 . 1 . 1 17 17 C H6 H 1 7.593 0.000 . . . . . . . 203 C H6 . 50346 2 65 . 1 . 1 17 17 C C6 C 13 143.024 0.000 . . . . . . . 203 C C6 . 50346 2 66 . 1 . 1 18 18 G H8 H 1 7.883 0.000 . . . . . . . 204 G H8 . 50346 2 67 . 1 . 1 18 18 G C8 C 13 142.088 0.000 . . . . . . . 204 G C8 . 50346 2 68 . 1 . 1 20 20 C N3 N 15 197.771 0.000 . . . . . . . 206 C N3 . 50346 2 69 . 1 . 1 21 21 C H6 H 1 7.807 0.000 . . . . . . . 207 C H6 . 50346 2 70 . 1 . 1 21 21 C C6 C 13 140.923 0.000 . . . . . . . 207 C C6 . 50346 2 71 . 1 . 1 21 21 C N3 N 15 195.928 0.000 . . . . . . . 207 C N3 . 50346 2 72 . 1 . 1 22 22 G H1 H 1 12.849 0.006 . . . . . . . 208 G H1 . 50346 2 73 . 1 . 1 22 22 G C2 C 13 156.366 0.000 . . . . . . . 208 G C2 . 50346 2 74 . 1 . 1 22 22 G C6 C 13 161.434 0.000 . . . . . . . 208 G C6 . 50346 2 75 . 1 . 1 22 22 G C8 C 13 136.184 0.000 . . . . . . . 208 G C8 . 50346 2 76 . 1 . 1 22 22 G N1 N 15 147.320 0.000 . . . . . . . 208 G N1 . 50346 2 77 . 1 . 1 23 23 U H3 H 1 13.783 0.003 . . . . . . . 209 U H3 . 50346 2 78 . 1 . 1 23 23 U H6 H 1 7.588 0.000 . . . . . . . 209 U H6 . 50346 2 79 . 1 . 1 23 23 U C2 C 13 152.770 0.000 . . . . . . . 209 U C2 . 50346 2 80 . 1 . 1 23 23 U C4 C 13 168.719 0.000 . . . . . . . 209 U C4 . 50346 2 81 . 1 . 1 23 23 U C6 C 13 140.991 0.012 . . . . . . . 209 U C6 . 50346 2 82 . 1 . 1 23 23 U N3 N 15 161.618 0.014 . . . . . . . 209 U N3 . 50346 2 83 . 1 . 1 24 24 G H8 H 1 7.738 0.000 . . . . . . . 210 G H8 . 50346 2 84 . 1 . 1 24 24 G C8 C 13 137.711 0.000 . . . . . . . 210 G C8 . 50346 2 85 . 1 . 1 25 25 U H6 H 1 7.645 0.000 . . . . . . . 211 U H6 . 50346 2 86 . 1 . 1 25 25 U C6 C 13 142.719 0.000 . . . . . . . 211 U C6 . 50346 2 87 . 1 . 1 26 26 U H6 H 1 7.908 0.000 . . . . . . . 212 U H6 . 50346 2 88 . 1 . 1 26 26 U C6 C 13 143.162 0.000 . . . . . . . 212 U C6 . 50346 2 89 . 1 . 1 27 27 G H1 H 1 13.187 0.007 . . . . . . . 213 G H1 . 50346 2 90 . 1 . 1 27 27 G H8 H 1 7.849 0.000 . . . . . . . 213 G H8 . 50346 2 91 . 1 . 1 27 27 G C2 C 13 157.184 0.000 . . . . . . . 213 G C2 . 50346 2 92 . 1 . 1 27 27 G C6 C 13 161.902 0.000 . . . . . . . 213 G C6 . 50346 2 93 . 1 . 1 27 27 G C8 C 13 136.805 0.000 . . . . . . . 213 G C8 . 50346 2 94 . 1 . 1 27 27 G N1 N 15 148.558 0.002 . . . . . . . 213 G N1 . 50346 2 95 . 1 . 1 28 28 C H6 H 1 7.613 0.000 . . . . . . . 214 C H6 . 50346 2 96 . 1 . 1 28 28 C C6 C 13 141.267 0.000 . . . . . . . 214 C C6 . 50346 2 97 . 1 . 1 28 28 C N3 N 15 197.022 0.000 . . . . . . . 214 C N3 . 50346 2 98 . 1 . 1 29 29 A H8 H 1 8.062 0.000 . . . . . . . 215 A H8 . 50346 2 99 . 1 . 1 29 29 A C8 C 13 139.470 0.000 . . . . . . . 215 A C8 . 50346 2 100 . 1 . 1 29 29 A N1 N 15 220.603 0.000 . . . . . . . 215 A N1 . 50346 2 101 . 1 . 1 30 30 G H1 H 1 13.470 0.002 . . . . . . . 216 G H1 . 50346 2 102 . 1 . 1 30 30 G H8 H 1 7.356 0.000 . . . . . . . 216 G H8 . 50346 2 103 . 1 . 1 30 30 G C2 C 13 157.059 0.000 . . . . . . . 216 G C2 . 50346 2 104 . 1 . 1 30 30 G C6 C 13 161.503 0.000 . . . . . . . 216 G C6 . 50346 2 105 . 1 . 1 30 30 G C8 C 13 135.700 0.005 . . . . . . . 216 G C8 . 50346 2 106 . 1 . 1 30 30 G N1 N 15 148.466 0.010 . . . . . . . 216 G N1 . 50346 2 107 . 1 . 1 31 31 C H6 H 1 7.643 0.000 . . . . . . . 217 C H6 . 50346 2 108 . 1 . 1 31 31 C C6 C 13 140.792 0.000 . . . . . . . 217 C C6 . 50346 2 109 . 1 . 1 31 31 C N3 N 15 197.822 0.000 . . . . . . . 217 C N3 . 50346 2 110 . 1 . 1 32 32 C H6 H 1 7.775 0.000 . . . . . . . 218 C H6 . 50346 2 111 . 1 . 1 32 32 C C6 C 13 141.408 0.000 . . . . . . . 218 C C6 . 50346 2 112 . 1 . 1 32 32 C N3 N 15 197.630 0.000 . . . . . . . 218 C N3 . 50346 2 113 . 1 . 1 33 33 C N3 N 15 196.698 0.000 . . . . . . . 1 C N3 . 50346 2 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_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 50346 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name 'Chemical shift list' _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _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 35 TROSY[15N] . . . 50346 3 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 2 $software_2 . . 50346 3 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 2 2 G H1 H 1 12.915 . . . . . . . . 188 G H1 . 50346 3 2 . 1 . 1 2 2 G N1 N 15 147.844 . . . . . . . . 188 G N1 . 50346 3 3 . 1 . 1 3 3 G H1 H 1 13.307 . . . . . . . . 189 G H1 . 50346 3 4 . 1 . 1 3 3 G N1 N 15 148.955 . . . . . . . . 189 G N1 . 50346 3 5 . 1 . 1 5 5 U H3 H 1 13.605 . . . . . . . . 191 U H3 . 50346 3 6 . 1 . 1 5 5 U N3 N 15 162.211 . . . . . . . . 191 U N3 . 50346 3 7 . 1 . 1 6 6 G H1 H 1 12.542 . . . . . . . . 192 G H1 . 50346 3 8 . 1 . 1 6 6 G N1 N 15 147.518 . . . . . . . . 192 G N1 . 50346 3 9 . 1 . 1 8 8 U H3 H 1 11.367 . . . . . . . . 194 U H3 . 50346 3 10 . 1 . 1 8 8 U N3 N 15 157.812 . . . . . . . . 194 U N3 . 50346 3 11 . 1 . 1 9 9 U H3 H 1 10.955 . . . . . . . . 195 U H3 . 50346 3 12 . 1 . 1 9 9 U N3 N 15 157.468 . . . . . . . . 195 U N3 . 50346 3 13 . 1 . 1 12 12 G H1 H 1 12.596 . . . . . . . . 198 G H1 . 50346 3 14 . 1 . 1 12 12 G N1 N 15 146.891 . . . . . . . . 198 G N1 . 50346 3 15 . 1 . 1 13 13 G H1 H 1 13.442 . . . . . . . . 199 G H1 . 50346 3 16 . 1 . 1 13 13 G N1 N 15 148.670 . . . . . . . . 199 G N1 . 50346 3 17 . 1 . 1 22 22 G H1 H 1 12.858 . . . . . . . . 208 G H1 . 50346 3 18 . 1 . 1 22 22 G N1 N 15 147.308 . . . . . . . . 208 G N1 . 50346 3 19 . 1 . 1 23 23 U H3 H 1 13.806 . . . . . . . . 209 U H3 . 50346 3 20 . 1 . 1 23 23 U N3 N 15 161.642 . . . . . . . . 209 U N3 . 50346 3 21 . 1 . 1 27 27 G H1 H 1 13.195 . . . . . . . . 213 G H1 . 50346 3 22 . 1 . 1 27 27 G N1 N 15 148.572 . . . . . . . . 213 G N1 . 50346 3 23 . 1 . 1 30 30 G H1 H 1 13.483 . . . . . . . . 216 G H1 . 50346 3 24 . 1 . 1 30 30 G N1 N 15 148.480 . . . . . . . . 216 G N1 . 50346 3 stop_ save_