################################### # 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 52045 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name GU12_star _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 6 '2D H,N HCN BEST' . . . 52045 1 7 '2D 1H-13C HSQC sensitivity-enhanced CC decoupled' . . . 52045 1 10 '2D 1H-15N HSQC BEST' . . . 52045 1 17 '2D 1H-13C HSQC constant-time' . . . 52045 1 18 '3D HCP sensitivity-enhanced' . . . 52045 1 22 '2D H,N HCN BEST' . . . 52045 1 24 '2D 1H-15N HSQC long-range' . . . 52045 1 26 '2D 1H-15N HSQC BEST' . . . 52045 1 27 '3D H,N,N NOESY-1H,15N-HSQC' . . . 52045 1 28 '2D 1H-15N HSQC BEST' . . . 52045 1 37 '2D 1H-13C HSQC constant-time' . . . 52045 1 38 '3D HCP sensitivity-enhanced' . . . 52045 1 64 '2D 1H-13C HSQC sensitivity-enhanced CC decoupled' . . . 52045 1 65 '2D 1H-13C HSQC sensitivity-enhanced CC decoupled' . . . 52045 1 66 '2D 1H-15N HSQC long-range' . . . 52045 1 67 '2D 13C-15N CON' . . . 52045 1 68 '2D 13C-15N CON' . . . 52045 1 69 '2D 1H-13C HN(CA)CO' . . . 52045 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $software_4 . . 52045 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 11.917 . . 1 . . . . . 1 G H1 . 52045 1 2 . 1 . 1 1 1 G H1' H 1 5.912 . . 1 . . . . . 1 G H1' . 52045 1 3 . 1 . 1 1 1 G H2' H 1 4.727 . . 1 . . . . . 1 G H2' . 52045 1 4 . 1 . 1 1 1 G H3' H 1 4.707 . . 1 . . . . . 1 G H3' . 52045 1 5 . 1 . 1 1 1 G H4' H 1 4.623 . . 1 . . . . . 1 G H4' . 52045 1 6 . 1 . 1 1 1 G H5' H 1 3.938 . . 2 . . . . . 1 G H5' . 52045 1 7 . 1 . 1 1 1 G H5'' H 1 3.939 . . 2 . . . . . 1 G H5'' . 52045 1 8 . 1 . 1 1 1 G H8 H 1 7.612 . . 1 . . . . . 1 G H8 . 52045 1 9 . 1 . 1 1 1 G H21 H 1 9.253 . . 2 . . . . . 1 G H21 . 52045 1 10 . 1 . 1 1 1 G H22 H 1 7.066 . . 2 . . . . . 1 G H22 . 52045 1 11 . 1 . 1 1 1 G C1' C 13 89.661 . . 1 . . . . . 1 G C1' . 52045 1 12 . 1 . 1 1 1 G C2 C 13 155.916 . . 1 . . . . . 1 G C2 . 52045 1 13 . 1 . 1 1 1 G C2' C 13 72.075 . . 1 . . . . . 1 G C2' . 52045 1 14 . 1 . 1 1 1 G C3' C 13 75.652 . . 1 . . . . . 1 G C3' . 52045 1 15 . 1 . 1 1 1 G C4' C 13 85.704 . . 1 . . . . . 1 G C4' . 52045 1 16 . 1 . 1 1 1 G C5' C 13 62.651 . . 1 . . . . . 1 G C5' . 52045 1 17 . 1 . 1 1 1 G C6 C 13 162.368 . . 1 . . . . . 1 G C6 . 52045 1 18 . 1 . 1 1 1 G C8 C 13 140.321 . . 1 . . . . . 1 G C8 . 52045 1 19 . 1 . 1 1 1 G N1 N 15 143.722 . . 1 . . . . . 1 G N1 . 52045 1 20 . 1 . 1 1 1 G N2 N 15 81.261 . . 1 . . . . . 1 G N2 . 52045 1 21 . 1 . 1 1 1 G N7 N 15 230.152 . . 1 . . . . . 1 G N7 . 52045 1 22 . 1 . 1 1 1 G N9 N 15 164.022 . . 1 . . . . . 1 G N9 . 52045 1 23 . 1 . 1 2 2 U H1' H 1 6.271 . . 1 . . . . . 2 U H1' . 52045 1 24 . 1 . 1 2 2 U H2' H 1 4.573 . . 1 . . . . . 2 U H2' . 52045 1 25 . 1 . 1 2 2 U H3' H 1 4.753 . . 1 . . . . . 2 U H3' . 52045 1 26 . 1 . 1 2 2 U H4' H 1 4.667 . . 1 . . . . . 2 U H4' . 52045 1 27 . 1 . 1 2 2 U H5 H 1 6.034 . . 1 . . . . . 2 U H5 . 52045 1 28 . 1 . 1 2 2 U H5' H 1 4.468 . . 2 . . . . . 2 U H5' . 52045 1 29 . 1 . 1 2 2 U H5'' H 1 4.148 . . 2 . . . . . 2 U H5'' . 52045 1 30 . 1 . 1 2 2 U H6 H 1 8.028 . . 1 . . . . . 2 U H6 . 52045 1 31 . 1 . 1 2 2 U C1' C 13 86.227 . . 1 . . . . . 2 U C1' . 52045 1 32 . 1 . 1 2 2 U C2 C 13 152.351 . . 1 . . . . . 2 U C2 . 52045 1 33 . 1 . 1 2 2 U C2' C 13 72.858 . . 1 . . . . . 2 U C2' . 52045 1 34 . 1 . 1 2 2 U C3' C 13 75.470 . . 1 . . . . . 2 U C3' . 52045 1 35 . 1 . 1 2 2 U C4' C 13 84.825 . . 1 . . . . . 2 U C4' . 52045 1 36 . 1 . 1 2 2 U C5 C 13 103.341 . . 1 . . . . . 2 U C5 . 52045 1 37 . 1 . 1 2 2 U C5' C 13 66.085 . . 1 . . . . . 2 U C5' . 52045 1 38 . 1 . 1 2 2 U C6 C 13 141.338 . . 1 . . . . . 2 U C6 . 52045 1 39 . 1 . 1 2 2 U N1 N 15 143.318 . . 1 . . . . . 2 U N1 . 52045 1 40 . 1 . 1 2 2 U N3 N 15 158.289 . . 1 . . . . . 2 U N3 . 52045 1 41 . 1 . 1 2 2 U P P 31 0.620 . . 1 . . . . . 2 U P . 52045 1 42 . 1 . 1 3 3 G H1 H 1 11.318 . . 1 . . . . . 3 G H1 . 52045 1 43 . 1 . 1 3 3 G H1' H 1 6.011 . . 1 . . . . . 3 G H1' . 52045 1 44 . 1 . 1 3 3 G H2' H 1 4.478 . . 1 . . . . . 3 G H2' . 52045 1 45 . 1 . 1 3 3 G H3' H 1 5.499 . . 1 . . . . . 3 G H3' . 52045 1 46 . 1 . 1 3 3 G H4' H 1 4.839 . . 1 . . . . . 3 G H4' . 52045 1 47 . 1 . 1 3 3 G H5' H 1 4.603 . . 2 . . . . . 3 G H5' . 52045 1 48 . 1 . 1 3 3 G H5'' H 1 4.328 . . 2 . . . . . 3 G H5'' . 52045 1 49 . 1 . 1 3 3 G H8 H 1 7.295 . . 1 . . . . . 3 G H8 . 52045 1 50 . 1 . 1 3 3 G H21 H 1 9.215 . . 2 . . . . . 3 G H21 . 52045 1 51 . 1 . 1 3 3 G H22 H 1 7.073 . . 2 . . . . . 3 G H22 . 52045 1 52 . 1 . 1 3 3 G C1' C 13 92.427 . . 1 . . . . . 3 G C1' . 52045 1 53 . 1 . 1 3 3 G C2 C 13 156.042 . . 1 . . . . . 3 G C2 . 52045 1 54 . 1 . 1 3 3 G C2' C 13 73.973 . . 1 . . . . . 3 G C2' . 52045 1 55 . 1 . 1 3 3 G C3' C 13 72.463 . . 1 . . . . . 3 G C3' . 52045 1 56 . 1 . 1 3 3 G C4' C 13 79.663 . . 1 . . . . . 3 G C4' . 52045 1 57 . 1 . 1 3 3 G C5' C 13 67.597 . . 1 . . . . . 3 G C5' . 52045 1 58 . 1 . 1 3 3 G C6 C 13 162.641 . . 1 . . . . . 3 G C6 . 52045 1 59 . 1 . 1 3 3 G C8 C 13 139.505 . . 1 . . . . . 3 G C8 . 52045 1 60 . 1 . 1 3 3 G N1 N 15 142.859 . . 1 . . . . . 3 G N1 . 52045 1 61 . 1 . 1 3 3 G N2 N 15 80.617 . . 1 . . . . . 3 G N2 . 52045 1 62 . 1 . 1 3 3 G N7 N 15 226.988 . . 1 . . . . . 3 G N7 . 52045 1 63 . 1 . 1 3 3 G N9 N 15 168.125 . . 1 . . . . . 3 G N9 . 52045 1 64 . 1 . 1 3 3 G P P 31 -0.432 . . 1 . . . . . 3 G P . 52045 1 65 . 1 . 1 4 4 U H1' H 1 5.718 . . 1 . . . . . 4 U H1' . 52045 1 66 . 1 . 1 4 4 U H2' H 1 4.597 . . 1 . . . . . 4 U H2' . 52045 1 67 . 1 . 1 4 4 U H3 H 1 11.273 . . 1 . . . . . 4 U H3 . 52045 1 68 . 1 . 1 4 4 U H3' H 1 4.235 . . 1 . . . . . 4 U H3' . 52045 1 69 . 1 . 1 4 4 U H4' H 1 4.232 . . 1 . . . . . 4 U H4' . 52045 1 70 . 1 . 1 4 4 U H5 H 1 4.786 . . 1 . . . . . 4 U H5 . 52045 1 71 . 1 . 1 4 4 U H5' H 1 4.685 . . 2 . . . . . 4 U H5' . 52045 1 72 . 1 . 1 4 4 U H5'' H 1 4.374 . . 2 . . . . . 4 U H5'' . 52045 1 73 . 1 . 1 4 4 U H6 H 1 6.768 . . 1 . . . . . 4 U H6 . 52045 1 74 . 1 . 1 4 4 U C1' C 13 88.871 . . 1 . . . . . 4 U C1' . 52045 1 75 . 1 . 1 4 4 U C2 C 13 152.393 . . 1 . . . . . 4 U C2 . 52045 1 76 . 1 . 1 4 4 U C2' C 13 70.160 . . 1 . . . . . 4 U C2' . 52045 1 77 . 1 . 1 4 4 U C3' C 13 71.277 . . 1 . . . . . 4 U C3' . 52045 1 78 . 1 . 1 4 4 U C4' C 13 76.675 . . 1 . . . . . 4 U C4' . 52045 1 79 . 1 . 1 4 4 U C5 C 13 100.517 . . 1 . . . . . 4 U C5 . 52045 1 80 . 1 . 1 4 4 U C5' C 13 61.503 . . 1 . . . . . 4 U C5' . 52045 1 81 . 1 . 1 4 4 U C6 C 13 140.433 . . 1 . . . . . 4 U C6 . 52045 1 82 . 1 . 1 4 4 U N1 N 15 147.649 . . 1 . . . . . 4 U N1 . 52045 1 83 . 1 . 1 4 4 U N3 N 15 157.030 . . 1 . . . . . 4 U N3 . 52045 1 84 . 1 . 1 4 4 U P P 31 -1.261 . . 1 . . . . . 4 U P . 52045 1 85 . 1 . 1 5 5 G H1 H 1 11.437 . . 1 . . . . . 5 G H1 . 52045 1 86 . 1 . 1 5 5 G H1' H 1 5.946 . . 1 . . . . . 5 G H1' . 52045 1 87 . 1 . 1 5 5 G H2' H 1 5.478 . . 1 . . . . . 5 G H2' . 52045 1 88 . 1 . 1 5 5 G H3' H 1 4.663 . . 1 . . . . . 5 G H3' . 52045 1 89 . 1 . 1 5 5 G H4' H 1 4.645 . . 1 . . . . . 5 G H4' . 52045 1 90 . 1 . 1 5 5 G H5' H 1 4.423 . . 2 . . . . . 5 G H5' . 52045 1 91 . 1 . 1 5 5 G H5'' H 1 3.983 . . 2 . . . . . 5 G H5'' . 52045 1 92 . 1 . 1 5 5 G H8 H 1 8.249 . . 1 . . . . . 5 G H8 . 52045 1 93 . 1 . 1 5 5 G H21 H 1 9.662 . . 2 . . . . . 5 G H21 . 52045 1 94 . 1 . 1 5 5 G H22 H 1 9.662 . . 2 . . . . . 5 G H22 . 52045 1 95 . 1 . 1 5 5 G C1' C 13 83.636 . . 1 . . . . . 5 G C1' . 52045 1 96 . 1 . 1 5 5 G C2 C 13 155.746 . . 1 . . . . . 5 G C2 . 52045 1 97 . 1 . 1 5 5 G C2' C 13 71.918 . . 1 . . . . . 5 G C2' . 52045 1 98 . 1 . 1 5 5 G C3' C 13 73.709 . . 1 . . . . . 5 G C3' . 52045 1 99 . 1 . 1 5 5 G C4' C 13 84.674 . . 1 . . . . . 5 G C4' . 52045 1 100 . 1 . 1 5 5 G C5' C 13 66.865 . . 1 . . . . . 5 G C5' . 52045 1 101 . 1 . 1 5 5 G C6 C 13 163.139 . . 1 . . . . . 5 G C6 . 52045 1 102 . 1 . 1 5 5 G C8 C 13 136.317 . . 1 . . . . . 5 G C8 . 52045 1 103 . 1 . 1 5 5 G N1 N 15 144.727 . . 1 . . . . . 5 G N1 . 52045 1 104 . 1 . 1 5 5 G N2 N 15 80.303 . . 1 . . . . . 5 G N2 . 52045 1 105 . 1 . 1 5 5 G N7 N 15 237.853 . . 1 . . . . . 5 G N7 . 52045 1 106 . 1 . 1 5 5 G N9 N 15 166.036 . . 1 . . . . . 5 G N9 . 52045 1 107 . 1 . 1 5 5 G P P 31 -2.936 . . 1 . . . . . 5 G P . 52045 1 108 . 1 . 1 6 6 U H1' H 1 6.099 . . 1 . . . . . 6 U H1' . 52045 1 109 . 1 . 1 6 6 U H2' H 1 4.616 . . 1 . . . . . 6 U H2' . 52045 1 110 . 1 . 1 6 6 U H3' H 1 4.746 . . 1 . . . . . 6 U H3' . 52045 1 111 . 1 . 1 6 6 U H4' H 1 4.585 . . 1 . . . . . 6 U H4' . 52045 1 112 . 1 . 1 6 6 U H5 H 1 5.994 . . 1 . . . . . 6 U H5 . 52045 1 113 . 1 . 1 6 6 U H5' H 1 4.368 . . 2 . . . . . 6 U H5' . 52045 1 114 . 1 . 1 6 6 U H5'' H 1 4.227 . . 2 . . . . . 6 U H5'' . 52045 1 115 . 1 . 1 6 6 U H6 H 1 7.915 . . 1 . . . . . 6 U H6 . 52045 1 116 . 1 . 1 6 6 U C1' C 13 89.127 . . 1 . . . . . 6 U C1' . 52045 1 117 . 1 . 1 6 6 U C2 C 13 151.924 . . 1 . . . . . 6 U C2 . 52045 1 118 . 1 . 1 6 6 U C2' C 13 72.620 . . 1 . . . . . 6 U C2' . 52045 1 119 . 1 . 1 6 6 U C3' C 13 73.851 . . 1 . . . . . 6 U C3' . 52045 1 120 . 1 . 1 6 6 U C4' C 13 82.191 . . 1 . . . . . 6 U C4' . 52045 1 121 . 1 . 1 6 6 U C5 C 13 102.935 . . 1 . . . . . 6 U C5 . 52045 1 122 . 1 . 1 6 6 U C5' C 13 65.638 . . 1 . . . . . 6 U C5' . 52045 1 123 . 1 . 1 6 6 U C6 C 13 142.232 . . 1 . . . . . 6 U C6 . 52045 1 124 . 1 . 1 6 6 U N1 N 15 144.762 . . 1 . . . . . 6 U N1 . 52045 1 125 . 1 . 1 6 6 U N3 N 15 158.635 . . 1 . . . . . 6 U N3 . 52045 1 126 . 1 . 1 6 6 U P P 31 -1.008 . . 1 . . . . . 6 U P . 52045 1 127 . 1 . 1 7 7 G H1 H 1 11.530 . . 1 . . . . . 7 G H1 . 52045 1 128 . 1 . 1 7 7 G H1' H 1 5.744 . . 1 . . . . . 7 G H1' . 52045 1 129 . 1 . 1 7 7 G H2' H 1 5.264 . . 1 . . . . . 7 G H2' . 52045 1 130 . 1 . 1 7 7 G H3' H 1 4.866 . . 1 . . . . . 7 G H3' . 52045 1 131 . 1 . 1 7 7 G H4' H 1 4.695 . . 1 . . . . . 7 G H4' . 52045 1 132 . 1 . 1 7 7 G H5' H 1 4.525 . . 2 . . . . . 7 G H5' . 52045 1 133 . 1 . 1 7 7 G H5'' H 1 4.066 . . 2 . . . . . 7 G H5'' . 52045 1 134 . 1 . 1 7 7 G H8 H 1 7.575 . . 1 . . . . . 7 G H8 . 52045 1 135 . 1 . 1 7 7 G H21 H 1 9.259 . . 2 . . . . . 7 G H21 . 52045 1 136 . 1 . 1 7 7 G H22 H 1 7.090 . . 2 . . . . . 7 G H22 . 52045 1 137 . 1 . 1 7 7 G C1' C 13 88.558 . . 1 . . . . . 7 G C1' . 52045 1 138 . 1 . 1 7 7 G C2 C 13 155.957 . . 1 . . . . . 7 G C2 . 52045 1 139 . 1 . 1 7 7 G C2' C 13 69.321 . . 1 . . . . . 7 G C2' . 52045 1 140 . 1 . 1 7 7 G C3' C 13 74.665 . . 1 . . . . . 7 G C3' . 52045 1 141 . 1 . 1 7 7 G C4' C 13 82.261 . . 1 . . . . . 7 G C4' . 52045 1 142 . 1 . 1 7 7 G C5' C 13 64.395 . . 1 . . . . . 7 G C5' . 52045 1 143 . 1 . 1 7 7 G C6 C 13 162.447 . . 1 . . . . . 7 G C6 . 52045 1 144 . 1 . 1 7 7 G C8 C 13 141.141 . . 1 . . . . . 7 G C8 . 52045 1 145 . 1 . 1 7 7 G N1 N 15 143.268 . . 1 . . . . . 7 G N1 . 52045 1 146 . 1 . 1 7 7 G N2 N 15 81.589 . . 1 . . . . . 7 G N2 . 52045 1 147 . 1 . 1 7 7 G N7 N 15 228.440 . . 1 . . . . . 7 G N7 . 52045 1 148 . 1 . 1 7 7 G N9 N 15 161.806 . . 1 . . . . . 7 G N9 . 52045 1 149 . 1 . 1 7 7 G P P 31 -0.247 . . 1 . . . . . 7 G P . 52045 1 150 . 1 . 1 8 8 U H1' H 1 6.272 . . 1 . . . . . 8 U H1' . 52045 1 151 . 1 . 1 8 8 U H2' H 1 4.573 . . 1 . . . . . 8 U H2' . 52045 1 152 . 1 . 1 8 8 U H3' H 1 4.702 . . 1 . . . . . 8 U H3' . 52045 1 153 . 1 . 1 8 8 U H4' H 1 4.682 . . 1 . . . . . 8 U H4' . 52045 1 154 . 1 . 1 8 8 U H5 H 1 5.981 . . 1 . . . . . 8 U H5 . 52045 1 155 . 1 . 1 8 8 U H5' H 1 4.468 . . 2 . . . . . 8 U H5' . 52045 1 156 . 1 . 1 8 8 U H5'' H 1 4.147 . . 2 . . . . . 8 U H5'' . 52045 1 157 . 1 . 1 8 8 U H6 H 1 8.047 . . 1 . . . . . 8 U H6 . 52045 1 158 . 1 . 1 8 8 U C1' C 13 86.234 . . 1 . . . . . 8 U C1' . 52045 1 159 . 1 . 1 8 8 U C2 C 13 152.393 . . 1 . . . . . 8 U C2 . 52045 1 160 . 1 . 1 8 8 U C2' C 13 72.858 . . 1 . . . . . 8 U C2' . 52045 1 161 . 1 . 1 8 8 U C3' C 13 76.035 . . 1 . . . . . 8 U C3' . 52045 1 162 . 1 . 1 8 8 U C4' C 13 84.825 . . 1 . . . . . 8 U C4' . 52045 1 163 . 1 . 1 8 8 U C5 C 13 103.299 . . 1 . . . . . 8 U C5 . 52045 1 164 . 1 . 1 8 8 U C5' C 13 66.084 . . 1 . . . . . 8 U C5' . 52045 1 165 . 1 . 1 8 8 U C6 C 13 141.333 . . 1 . . . . . 8 U C6 . 52045 1 166 . 1 . 1 8 8 U N1 N 15 143.290 . . 1 . . . . . 8 U N1 . 52045 1 167 . 1 . 1 8 8 U N3 N 15 158.237 . . 1 . . . . . 8 U N3 . 52045 1 168 . 1 . 1 8 8 U P P 31 0.547 . . 1 . . . . . 8 U P . 52045 1 169 . 1 . 1 9 9 G H1 H 1 11.297 . . 1 . . . . . 9 G H1 . 52045 1 170 . 1 . 1 9 9 G H1' H 1 6.058 . . 1 . . . . . 9 G H1' . 52045 1 171 . 1 . 1 9 9 G H2' H 1 4.478 . . 1 . . . . . 9 G H2' . 52045 1 172 . 1 . 1 9 9 G H3' H 1 5.519 . . 1 . . . . . 9 G H3' . 52045 1 173 . 1 . 1 9 9 G H4' H 1 4.906 . . 1 . . . . . 9 G H4' . 52045 1 174 . 1 . 1 9 9 G H5' H 1 4.645 . . 2 . . . . . 9 G H5' . 52045 1 175 . 1 . 1 9 9 G H5'' H 1 4.364 . . 2 . . . . . 9 G H5'' . 52045 1 176 . 1 . 1 9 9 G H8 H 1 7.218 . . 1 . . . . . 9 G H8 . 52045 1 177 . 1 . 1 9 9 G H21 H 1 9.213 . . 2 . . . . . 9 G H21 . 52045 1 178 . 1 . 1 9 9 G H22 H 1 7.066 . . 2 . . . . . 9 G H22 . 52045 1 179 . 1 . 1 9 9 G C1' C 13 92.349 . . 1 . . . . . 9 G C1' . 52045 1 180 . 1 . 1 9 9 G C2 C 13 156.219 . . 1 . . . . . 9 G C2 . 52045 1 181 . 1 . 1 9 9 G C2' C 13 73.973 . . 1 . . . . . 9 G C2' . 52045 1 182 . 1 . 1 9 9 G C3' C 13 72.446 . . 1 . . . . . 9 G C3' . 52045 1 183 . 1 . 1 9 9 G C4' C 13 79.614 . . 1 . . . . . 9 G C4' . 52045 1 184 . 1 . 1 9 9 G C5' C 13 67.675 . . 1 . . . . . 9 G C5' . 52045 1 185 . 1 . 1 9 9 G C6 C 13 162.665 . . 1 . . . . . 9 G C6 . 52045 1 186 . 1 . 1 9 9 G C8 C 13 139.499 . . 1 . . . . . 9 G C8 . 52045 1 187 . 1 . 1 9 9 G N1 N 15 142.791 . . 1 . . . . . 9 G N1 . 52045 1 188 . 1 . 1 9 9 G N2 N 15 81.198 . . 1 . . . . . 9 G N2 . 52045 1 189 . 1 . 1 9 9 G N7 N 15 226.847 . . 1 . . . . . 9 G N7 . 52045 1 190 . 1 . 1 9 9 G N9 N 15 168.230 . . 1 . . . . . 9 G N9 . 52045 1 191 . 1 . 1 9 9 G P P 31 -0.460 . . 1 . . . . . 9 G P . 52045 1 192 . 1 . 1 10 10 U H1' H 1 5.718 . . 1 . . . . . 10 U H1' . 52045 1 193 . 1 . 1 10 10 U H2' H 1 4.597 . . 1 . . . . . 10 U H2' . 52045 1 194 . 1 . 1 10 10 U H3 H 1 11.273 . . 1 . . . . . 10 U H3 . 52045 1 195 . 1 . 1 10 10 U H3' H 1 4.236 . . 1 . . . . . 10 U H3' . 52045 1 196 . 1 . 1 10 10 U H4' H 1 4.233 . . 1 . . . . . 10 U H4' . 52045 1 197 . 1 . 1 10 10 U H5 H 1 4.785 . . 1 . . . . . 10 U H5 . 52045 1 198 . 1 . 1 10 10 U H5' H 1 4.687 . . 2 . . . . . 10 U H5' . 52045 1 199 . 1 . 1 10 10 U H5'' H 1 4.375 . . 2 . . . . . 10 U H5'' . 52045 1 200 . 1 . 1 10 10 U H6 H 1 6.768 . . 1 . . . . . 10 U H6 . 52045 1 201 . 1 . 1 10 10 U C1' C 13 88.854 . . 1 . . . . . 10 U C1' . 52045 1 202 . 1 . 1 10 10 U C2 C 13 152.393 . . 1 . . . . . 10 U C2 . 52045 1 203 . 1 . 1 10 10 U C2' C 13 70.160 . . 1 . . . . . 10 U C2' . 52045 1 204 . 1 . 1 10 10 U C3' C 13 71.277 . . 1 . . . . . 10 U C3' . 52045 1 205 . 1 . 1 10 10 U C4' C 13 76.675 . . 1 . . . . . 10 U C4' . 52045 1 206 . 1 . 1 10 10 U C5 C 13 100.505 . . 1 . . . . . 10 U C5 . 52045 1 207 . 1 . 1 10 10 U C5' C 13 61.503 . . 1 . . . . . 10 U C5' . 52045 1 208 . 1 . 1 10 10 U C6 C 13 140.433 . . 1 . . . . . 10 U C6 . 52045 1 209 . 1 . 1 10 10 U N1 N 15 147.649 . . 1 . . . . . 10 U N1 . 52045 1 210 . 1 . 1 10 10 U N3 N 15 157.030 . . 1 . . . . . 10 U N3 . 52045 1 211 . 1 . 1 10 10 U P P 31 -1.254 . . 1 . . . . . 10 U P . 52045 1 212 . 1 . 1 11 11 G H1 H 1 11.437 . . 1 . . . . . 11 G H1 . 52045 1 213 . 1 . 1 11 11 G H1' H 1 5.943 . . 1 . . . . . 11 G H1' . 52045 1 214 . 1 . 1 11 11 G H2' H 1 5.478 . . 1 . . . . . 11 G H2' . 52045 1 215 . 1 . 1 11 11 G H3' H 1 4.663 . . 1 . . . . . 11 G H3' . 52045 1 216 . 1 . 1 11 11 G H4' H 1 4.644 . . 1 . . . . . 11 G H4' . 52045 1 217 . 1 . 1 11 11 G H5' H 1 4.423 . . 2 . . . . . 11 G H5' . 52045 1 218 . 1 . 1 11 11 G H5'' H 1 3.983 . . 2 . . . . . 11 G H5'' . 52045 1 219 . 1 . 1 11 11 G H8 H 1 8.249 . . 1 . . . . . 11 G H8 . 52045 1 220 . 1 . 1 11 11 G H21 H 1 9.662 . . 2 . . . . . 11 G H21 . 52045 1 221 . 1 . 1 11 11 G H22 H 1 9.662 . . 2 . . . . . 11 G H22 . 52045 1 222 . 1 . 1 11 11 G C1' C 13 83.631 . . 1 . . . . . 11 G C1' . 52045 1 223 . 1 . 1 11 11 G C2 C 13 155.746 . . 1 . . . . . 11 G C2 . 52045 1 224 . 1 . 1 11 11 G C2' C 13 71.918 . . 1 . . . . . 11 G C2' . 52045 1 225 . 1 . 1 11 11 G C3' C 13 73.709 . . 1 . . . . . 11 G C3' . 52045 1 226 . 1 . 1 11 11 G C4' C 13 84.674 . . 1 . . . . . 11 G C4' . 52045 1 227 . 1 . 1 11 11 G C5' C 13 66.865 . . 1 . . . . . 11 G C5' . 52045 1 228 . 1 . 1 11 11 G C6 C 13 163.139 . . 1 . . . . . 11 G C6 . 52045 1 229 . 1 . 1 11 11 G C8 C 13 136.317 . . 1 . . . . . 11 G C8 . 52045 1 230 . 1 . 1 11 11 G N1 N 15 144.727 . . 1 . . . . . 11 G N1 . 52045 1 231 . 1 . 1 11 11 G N2 N 15 80.303 . . 1 . . . . . 11 G N2 . 52045 1 232 . 1 . 1 11 11 G N7 N 15 237.853 . . 1 . . . . . 11 G N7 . 52045 1 233 . 1 . 1 11 11 G N9 N 15 166.036 . . 1 . . . . . 11 G N9 . 52045 1 234 . 1 . 1 11 11 G P P 31 -2.935 . . 1 . . . . . 11 G P . 52045 1 235 . 1 . 1 12 12 U H1' H 1 6.101 . . 1 . . . . . 12 U H1' . 52045 1 236 . 1 . 1 12 12 U H2' H 1 4.616 . . 1 . . . . . 12 U H2' . 52045 1 237 . 1 . 1 12 12 U H3' H 1 4.746 . . 1 . . . . . 12 U H3' . 52045 1 238 . 1 . 1 12 12 U H4' H 1 4.587 . . 1 . . . . . 12 U H4' . 52045 1 239 . 1 . 1 12 12 U H5 H 1 5.995 . . 1 . . . . . 12 U H5 . 52045 1 240 . 1 . 1 12 12 U H5' H 1 4.369 . . 2 . . . . . 12 U H5' . 52045 1 241 . 1 . 1 12 12 U H5'' H 1 4.227 . . 2 . . . . . 12 U H5'' . 52045 1 242 . 1 . 1 12 12 U H6 H 1 7.915 . . 1 . . . . . 12 U H6 . 52045 1 243 . 1 . 1 12 12 U C1' C 13 89.116 . . 1 . . . . . 12 U C1' . 52045 1 244 . 1 . 1 12 12 U C2 C 13 151.924 . . 1 . . . . . 12 U C2 . 52045 1 245 . 1 . 1 12 12 U C2' C 13 72.620 . . 1 . . . . . 12 U C2' . 52045 1 246 . 1 . 1 12 12 U C3' C 13 73.851 . . 1 . . . . . 12 U C3' . 52045 1 247 . 1 . 1 12 12 U C4' C 13 82.191 . . 1 . . . . . 12 U C4' . 52045 1 248 . 1 . 1 12 12 U C5 C 13 102.928 . . 1 . . . . . 12 U C5 . 52045 1 249 . 1 . 1 12 12 U C5' C 13 65.638 . . 1 . . . . . 12 U C5' . 52045 1 250 . 1 . 1 12 12 U C6 C 13 142.232 . . 1 . . . . . 12 U C6 . 52045 1 251 . 1 . 1 12 12 U N1 N 15 144.762 . . 1 . . . . . 12 U N1 . 52045 1 252 . 1 . 1 12 12 U N3 N 15 158.635 . . 1 . . . . . 12 U N3 . 52045 1 253 . 1 . 1 12 12 U P P 31 -1.007 . . 1 . . . . . 12 U P . 52045 1 254 . 1 . 1 13 13 G H1 H 1 11.720 . . 1 . . . . . 13 G H1 . 52045 1 255 . 1 . 1 13 13 G H1' H 1 5.744 . . 1 . . . . . 13 G H1' . 52045 1 256 . 1 . 1 13 13 G H2' H 1 5.264 . . 1 . . . . . 13 G H2' . 52045 1 257 . 1 . 1 13 13 G H3' H 1 4.866 . . 1 . . . . . 13 G H3' . 52045 1 258 . 1 . 1 13 13 G H4' H 1 4.694 . . 1 . . . . . 13 G H4' . 52045 1 259 . 1 . 1 13 13 G H5' H 1 4.524 . . 2 . . . . . 13 G H5' . 52045 1 260 . 1 . 1 13 13 G H5'' H 1 4.066 . . 2 . . . . . 13 G H5'' . 52045 1 261 . 1 . 1 13 13 G H8 H 1 7.569 . . 1 . . . . . 13 G H8 . 52045 1 262 . 1 . 1 13 13 G H21 H 1 9.259 . . 2 . . . . . 13 G H21 . 52045 1 263 . 1 . 1 13 13 G H22 H 1 7.090 . . 2 . . . . . 13 G H22 . 52045 1 264 . 1 . 1 13 13 G C1' C 13 88.558 . . 1 . . . . . 13 G C1' . 52045 1 265 . 1 . 1 13 13 G C2 C 13 155.980 . . 1 . . . . . 13 G C2 . 52045 1 266 . 1 . 1 13 13 G C2' C 13 69.321 . . 1 . . . . . 13 G C2' . 52045 1 267 . 1 . 1 13 13 G C3' C 13 74.665 . . 1 . . . . . 13 G C3' . 52045 1 268 . 1 . 1 13 13 G C4' C 13 82.261 . . 1 . . . . . 13 G C4' . 52045 1 269 . 1 . 1 13 13 G C5' C 13 64.395 . . 1 . . . . . 13 G C5' . 52045 1 270 . 1 . 1 13 13 G C6 C 13 162.495 . . 1 . . . . . 13 G C6 . 52045 1 271 . 1 . 1 13 13 G C8 C 13 141.141 . . 1 . . . . . 13 G C8 . 52045 1 272 . 1 . 1 13 13 G N1 N 15 143.544 . . 1 . . . . . 13 G N1 . 52045 1 273 . 1 . 1 13 13 G N2 N 15 81.589 . . 1 . . . . . 13 G N2 . 52045 1 274 . 1 . 1 13 13 G N7 N 15 229.353 . . 1 . . . . . 13 G N7 . 52045 1 275 . 1 . 1 13 13 G N9 N 15 161.806 . . 1 . . . . . 13 G N9 . 52045 1 276 . 1 . 1 13 13 G P P 31 -0.247 . . 1 . . . . . 13 G P . 52045 1 277 . 1 . 1 14 14 U H1' H 1 6.272 . . 1 . . . . . 14 U H1' . 52045 1 278 . 1 . 1 14 14 U H2' H 1 4.573 . . 1 . . . . . 14 U H2' . 52045 1 279 . 1 . 1 14 14 U H3' H 1 4.698 . . 1 . . . . . 14 U H3' . 52045 1 280 . 1 . 1 14 14 U H4' H 1 4.683 . . 1 . . . . . 14 U H4' . 52045 1 281 . 1 . 1 14 14 U H5 H 1 5.981 . . 1 . . . . . 14 U H5 . 52045 1 282 . 1 . 1 14 14 U H5' H 1 4.468 . . 2 . . . . . 14 U H5' . 52045 1 283 . 1 . 1 14 14 U H5'' H 1 4.147 . . 2 . . . . . 14 U H5'' . 52045 1 284 . 1 . 1 14 14 U H6 H 1 8.047 . . 1 . . . . . 14 U H6 . 52045 1 285 . 1 . 1 14 14 U C1' C 13 86.234 . . 1 . . . . . 14 U C1' . 52045 1 286 . 1 . 1 14 14 U C2 C 13 152.393 . . 1 . . . . . 14 U C2 . 52045 1 287 . 1 . 1 14 14 U C2' C 13 72.858 . . 1 . . . . . 14 U C2' . 52045 1 288 . 1 . 1 14 14 U C3' C 13 76.035 . . 1 . . . . . 14 U C3' . 52045 1 289 . 1 . 1 14 14 U C4' C 13 84.825 . . 1 . . . . . 14 U C4' . 52045 1 290 . 1 . 1 14 14 U C5 C 13 103.296 . . 1 . . . . . 14 U C5 . 52045 1 291 . 1 . 1 14 14 U C5' C 13 66.084 . . 1 . . . . . 14 U C5' . 52045 1 292 . 1 . 1 14 14 U C6 C 13 141.333 . . 1 . . . . . 14 U C6 . 52045 1 293 . 1 . 1 14 14 U N1 N 15 143.290 . . 1 . . . . . 14 U N1 . 52045 1 294 . 1 . 1 14 14 U N3 N 15 158.237 . . 1 . . . . . 14 U N3 . 52045 1 295 . 1 . 1 14 14 U P P 31 0.547 . . 1 . . . . . 14 U P . 52045 1 296 . 1 . 1 15 15 G H1 H 1 11.297 . . 1 . . . . . 15 G H1 . 52045 1 297 . 1 . 1 15 15 G H1' H 1 6.058 . . 1 . . . . . 15 G H1' . 52045 1 298 . 1 . 1 15 15 G H2' H 1 4.478 . . 1 . . . . . 15 G H2' . 52045 1 299 . 1 . 1 15 15 G H3' H 1 5.519 . . 1 . . . . . 15 G H3' . 52045 1 300 . 1 . 1 15 15 G H4' H 1 4.906 . . 1 . . . . . 15 G H4' . 52045 1 301 . 1 . 1 15 15 G H5' H 1 4.645 . . 2 . . . . . 15 G H5' . 52045 1 302 . 1 . 1 15 15 G H5'' H 1 4.363 . . 2 . . . . . 15 G H5'' . 52045 1 303 . 1 . 1 15 15 G H8 H 1 7.218 . . 1 . . . . . 15 G H8 . 52045 1 304 . 1 . 1 15 15 G H21 H 1 9.213 . . 2 . . . . . 15 G H21 . 52045 1 305 . 1 . 1 15 15 G H22 H 1 7.066 . . 2 . . . . . 15 G H22 . 52045 1 306 . 1 . 1 15 15 G C1' C 13 92.349 . . 1 . . . . . 15 G C1' . 52045 1 307 . 1 . 1 15 15 G C2 C 13 156.219 . . 1 . . . . . 15 G C2 . 52045 1 308 . 1 . 1 15 15 G C2' C 13 73.973 . . 1 . . . . . 15 G C2' . 52045 1 309 . 1 . 1 15 15 G C3' C 13 72.446 . . 1 . . . . . 15 G C3' . 52045 1 310 . 1 . 1 15 15 G C4' C 13 79.614 . . 1 . . . . . 15 G C4' . 52045 1 311 . 1 . 1 15 15 G C5' C 13 67.675 . . 1 . . . . . 15 G C5' . 52045 1 312 . 1 . 1 15 15 G C6 C 13 162.665 . . 1 . . . . . 15 G C6 . 52045 1 313 . 1 . 1 15 15 G C8 C 13 139.499 . . 1 . . . . . 15 G C8 . 52045 1 314 . 1 . 1 15 15 G N1 N 15 142.791 . . 1 . . . . . 15 G N1 . 52045 1 315 . 1 . 1 15 15 G N2 N 15 81.198 . . 1 . . . . . 15 G N2 . 52045 1 316 . 1 . 1 15 15 G N7 N 15 226.847 . . 1 . . . . . 15 G N7 . 52045 1 317 . 1 . 1 15 15 G N9 N 15 168.230 . . 1 . . . . . 15 G N9 . 52045 1 318 . 1 . 1 15 15 G P P 31 -0.460 . . 1 . . . . . 15 G P . 52045 1 319 . 1 . 1 16 16 U H1' H 1 5.718 . . 1 . . . . . 16 U H1' . 52045 1 320 . 1 . 1 16 16 U H2' H 1 4.597 . . 1 . . . . . 16 U H2' . 52045 1 321 . 1 . 1 16 16 U H3 H 1 11.273 . . 1 . . . . . 16 U H3 . 52045 1 322 . 1 . 1 16 16 U H3' H 1 4.236 . . 1 . . . . . 16 U H3' . 52045 1 323 . 1 . 1 16 16 U H4' H 1 4.233 . . 1 . . . . . 16 U H4' . 52045 1 324 . 1 . 1 16 16 U H5 H 1 4.785 . . 1 . . . . . 16 U H5 . 52045 1 325 . 1 . 1 16 16 U H5' H 1 4.687 . . 1 . . . . . 16 U H5' . 52045 1 326 . 1 . 1 16 16 U H5'' H 1 4.375 . . 1 . . . . . 16 U H5'' . 52045 1 327 . 1 . 1 16 16 U H6 H 1 6.768 . . 1 . . . . . 16 U H6 . 52045 1 328 . 1 . 1 16 16 U C1' C 13 88.854 . . 1 . . . . . 16 U C1' . 52045 1 329 . 1 . 1 16 16 U C2 C 13 152.393 . . 1 . . . . . 16 U C2 . 52045 1 330 . 1 . 1 16 16 U C2' C 13 70.160 . . 1 . . . . . 16 U C2' . 52045 1 331 . 1 . 1 16 16 U C3' C 13 71.277 . . 1 . . . . . 16 U C3' . 52045 1 332 . 1 . 1 16 16 U C4' C 13 76.675 . . 1 . . . . . 16 U C4' . 52045 1 333 . 1 . 1 16 16 U C5 C 13 100.505 . . 1 . . . . . 16 U C5 . 52045 1 334 . 1 . 1 16 16 U C5' C 13 61.503 . . 1 . . . . . 16 U C5' . 52045 1 335 . 1 . 1 16 16 U C6 C 13 140.433 . . 1 . . . . . 16 U C6 . 52045 1 336 . 1 . 1 16 16 U N1 N 15 147.649 . . 1 . . . . . 16 U N1 . 52045 1 337 . 1 . 1 16 16 U N3 N 15 157.030 . . 1 . . . . . 16 U N3 . 52045 1 338 . 1 . 1 16 16 U P P 31 -1.254 . . 1 . . . . . 16 U P . 52045 1 339 . 1 . 1 17 17 G H1 H 1 11.373 . . 1 . . . . . 17 G H1 . 52045 1 340 . 1 . 1 17 17 G H1' H 1 5.943 . . 1 . . . . . 17 G H1' . 52045 1 341 . 1 . 1 17 17 G H2' H 1 5.478 . . 1 . . . . . 17 G H2' . 52045 1 342 . 1 . 1 17 17 G H3' H 1 4.663 . . 1 . . . . . 17 G H3' . 52045 1 343 . 1 . 1 17 17 G H4' H 1 4.644 . . 1 . . . . . 17 G H4' . 52045 1 344 . 1 . 1 17 17 G H5' H 1 4.423 . . 2 . . . . . 17 G H5' . 52045 1 345 . 1 . 1 17 17 G H5'' H 1 3.983 . . 2 . . . . . 17 G H5'' . 52045 1 346 . 1 . 1 17 17 G H8 H 1 8.249 . . 1 . . . . . 17 G H8 . 52045 1 347 . 1 . 1 17 17 G H21 H 1 9.725 . . 2 . . . . . 17 G H21 . 52045 1 348 . 1 . 1 17 17 G H22 H 1 9.725 . . 2 . . . . . 17 G H22 . 52045 1 349 . 1 . 1 17 17 G C1' C 13 83.631 . . 1 . . . . . 17 G C1' . 52045 1 350 . 1 . 1 17 17 G C2 C 13 155.749 . . 1 . . . . . 17 G C2 . 52045 1 351 . 1 . 1 17 17 G C2' C 13 71.918 . . 1 . . . . . 17 G C2' . 52045 1 352 . 1 . 1 17 17 G C3' C 13 73.709 . . 1 . . . . . 17 G C3' . 52045 1 353 . 1 . 1 17 17 G C4' C 13 84.674 . . 1 . . . . . 17 G C4' . 52045 1 354 . 1 . 1 17 17 G C5' C 13 66.865 . . 1 . . . . . 17 G C5' . 52045 1 355 . 1 . 1 17 17 G C6 C 13 163.111 . . 1 . . . . . 17 G C6 . 52045 1 356 . 1 . 1 17 17 G C8 C 13 136.317 . . 1 . . . . . 17 G C8 . 52045 1 357 . 1 . 1 17 17 G N1 N 15 144.529 . . 1 . . . . . 17 G N1 . 52045 1 358 . 1 . 1 17 17 G N2 N 15 80.409 . . 1 . . . . . 17 G N2 . 52045 1 359 . 1 . 1 17 17 G N7 N 15 237.853 . . 1 . . . . . 17 G N7 . 52045 1 360 . 1 . 1 17 17 G N9 N 15 166.036 . . 1 . . . . . 17 G N9 . 52045 1 361 . 1 . 1 17 17 G P P 31 -2.935 . . 1 . . . . . 17 G P . 52045 1 362 . 1 . 1 18 18 U H1' H 1 6.101 . . 1 . . . . . 18 U H1' . 52045 1 363 . 1 . 1 18 18 U H2' H 1 4.616 . . 1 . . . . . 18 U H2' . 52045 1 364 . 1 . 1 18 18 U H3' H 1 4.746 . . 1 . . . . . 18 U H3' . 52045 1 365 . 1 . 1 18 18 U H4' H 1 4.587 . . 1 . . . . . 18 U H4' . 52045 1 366 . 1 . 1 18 18 U H5 H 1 5.995 . . 1 . . . . . 18 U H5 . 52045 1 367 . 1 . 1 18 18 U H5' H 1 4.369 . . 2 . . . . . 18 U H5' . 52045 1 368 . 1 . 1 18 18 U H5'' H 1 4.227 . . 2 . . . . . 18 U H5'' . 52045 1 369 . 1 . 1 18 18 U H6 H 1 7.915 . . 1 . . . . . 18 U H6 . 52045 1 370 . 1 . 1 18 18 U C1' C 13 89.116 . . 1 . . . . . 18 U C1' . 52045 1 371 . 1 . 1 18 18 U C2 C 13 151.924 . . 1 . . . . . 18 U C2 . 52045 1 372 . 1 . 1 18 18 U C2' C 13 72.620 . . 1 . . . . . 18 U C2' . 52045 1 373 . 1 . 1 18 18 U C3' C 13 73.851 . . 1 . . . . . 18 U C3' . 52045 1 374 . 1 . 1 18 18 U C4' C 13 82.191 . . 1 . . . . . 18 U C4' . 52045 1 375 . 1 . 1 18 18 U C5 C 13 102.928 . . 1 . . . . . 18 U C5 . 52045 1 376 . 1 . 1 18 18 U C5' C 13 65.638 . . 1 . . . . . 18 U C5' . 52045 1 377 . 1 . 1 18 18 U C6 C 13 142.232 . . 1 . . . . . 18 U C6 . 52045 1 378 . 1 . 1 18 18 U N1 N 15 144.762 . . 1 . . . . . 18 U N1 . 52045 1 379 . 1 . 1 18 18 U N3 N 15 158.635 . . 1 . . . . . 18 U N3 . 52045 1 380 . 1 . 1 18 18 U P P 31 -1.007 . . 1 . . . . . 18 U P . 52045 1 381 . 1 . 1 19 19 G H1 H 1 11.779 . . 1 . . . . . 19 G H1 . 52045 1 382 . 1 . 1 19 19 G H1' H 1 5.744 . . 1 . . . . . 19 G H1' . 52045 1 383 . 1 . 1 19 19 G H2' H 1 5.264 . . 1 . . . . . 19 G H2' . 52045 1 384 . 1 . 1 19 19 G H3' H 1 4.866 . . 1 . . . . . 19 G H3' . 52045 1 385 . 1 . 1 19 19 G H4' H 1 4.694 . . 1 . . . . . 19 G H4' . 52045 1 386 . 1 . 1 19 19 G H5' H 1 4.524 . . 2 . . . . . 19 G H5' . 52045 1 387 . 1 . 1 19 19 G H5'' H 1 4.066 . . 2 . . . . . 19 G H5'' . 52045 1 388 . 1 . 1 19 19 G H8 H 1 7.569 . . 1 . . . . . 19 G H8 . 52045 1 389 . 1 . 1 19 19 G H21 H 1 9.259 . . 2 . . . . . 19 G H21 . 52045 1 390 . 1 . 1 19 19 G H22 H 1 7.090 . . 2 . . . . . 19 G H22 . 52045 1 391 . 1 . 1 19 19 G C1' C 13 88.558 . . 1 . . . . . 19 G C1' . 52045 1 392 . 1 . 1 19 19 G C2 C 13 156.024 . . 1 . . . . . 19 G C2 . 52045 1 393 . 1 . 1 19 19 G C2' C 13 69.321 . . 1 . . . . . 19 G C2' . 52045 1 394 . 1 . 1 19 19 G C3' C 13 74.665 . . 1 . . . . . 19 G C3' . 52045 1 395 . 1 . 1 19 19 G C4' C 13 82.261 . . 1 . . . . . 19 G C4' . 52045 1 396 . 1 . 1 19 19 G C5' C 13 64.395 . . 1 . . . . . 19 G C5' . 52045 1 397 . 1 . 1 19 19 G C6 C 13 162.501 . . 1 . . . . . 19 G C6 . 52045 1 398 . 1 . 1 19 19 G C8 C 13 141.141 . . 1 . . . . . 19 G C8 . 52045 1 399 . 1 . 1 19 19 G N1 N 15 143.605 . . 1 . . . . . 19 G N1 . 52045 1 400 . 1 . 1 19 19 G N2 N 15 81.589 . . 1 . . . . . 19 G N2 . 52045 1 401 . 1 . 1 19 19 G N7 N 15 229.353 . . 1 . . . . . 19 G N7 . 52045 1 402 . 1 . 1 19 19 G N9 N 15 161.806 . . 1 . . . . . 19 G N9 . 52045 1 403 . 1 . 1 19 19 G P P 31 -0.247 . . 1 . . . . . 19 G P . 52045 1 404 . 1 . 1 20 20 U H1' H 1 6.272 . . 1 . . . . . 20 U H1' . 52045 1 405 . 1 . 1 20 20 U H2' H 1 4.573 . . 1 . . . . . 20 U H2' . 52045 1 406 . 1 . 1 20 20 U H3' H 1 4.698 . . 1 . . . . . 20 U H3' . 52045 1 407 . 1 . 1 20 20 U H4' H 1 4.683 . . 1 . . . . . 20 U H4' . 52045 1 408 . 1 . 1 20 20 U H5 H 1 5.981 . . 1 . . . . . 20 U H5 . 52045 1 409 . 1 . 1 20 20 U H5' H 1 4.468 . . 2 . . . . . 20 U H5' . 52045 1 410 . 1 . 1 20 20 U H5'' H 1 4.147 . . 2 . . . . . 20 U H5'' . 52045 1 411 . 1 . 1 20 20 U H6 H 1 8.047 . . 1 . . . . . 20 U H6 . 52045 1 412 . 1 . 1 20 20 U C1' C 13 86.234 . . 1 . . . . . 20 U C1' . 52045 1 413 . 1 . 1 20 20 U C2 C 13 152.393 . . 1 . . . . . 20 U C2 . 52045 1 414 . 1 . 1 20 20 U C2' C 13 72.858 . . 1 . . . . . 20 U C2' . 52045 1 415 . 1 . 1 20 20 U C3' C 13 76.035 . . 1 . . . . . 20 U C3' . 52045 1 416 . 1 . 1 20 20 U C4' C 13 84.825 . . 1 . . . . . 20 U C4' . 52045 1 417 . 1 . 1 20 20 U C5 C 13 103.296 . . 1 . . . . . 20 U C5 . 52045 1 418 . 1 . 1 20 20 U C5' C 13 66.084 . . 1 . . . . . 20 U C5' . 52045 1 419 . 1 . 1 20 20 U C6 C 13 141.333 . . 1 . . . . . 20 U C6 . 52045 1 420 . 1 . 1 20 20 U N1 N 15 143.290 . . 1 . . . . . 20 U N1 . 52045 1 421 . 1 . 1 20 20 U N3 N 15 158.237 . . 1 . . . . . 20 U N3 . 52045 1 422 . 1 . 1 20 20 U P P 31 0.547 . . 1 . . . . . 20 U P . 52045 1 423 . 1 . 1 21 21 G H1 H 1 11.318 . . 1 . . . . . 21 G H1 . 52045 1 424 . 1 . 1 21 21 G H1' H 1 6.058 . . 1 . . . . . 21 G H1' . 52045 1 425 . 1 . 1 21 21 G H2' H 1 4.478 . . 1 . . . . . 21 G H2' . 52045 1 426 . 1 . 1 21 21 G H3' H 1 5.519 . . 1 . . . . . 21 G H3' . 52045 1 427 . 1 . 1 21 21 G H4' H 1 4.906 . . 1 . . . . . 21 G H4' . 52045 1 428 . 1 . 1 21 21 G H5' H 1 4.645 . . 2 . . . . . 21 G H5' . 52045 1 429 . 1 . 1 21 21 G H5'' H 1 4.363 . . 2 . . . . . 21 G H5'' . 52045 1 430 . 1 . 1 21 21 G H8 H 1 7.218 . . 1 . . . . . 21 G H8 . 52045 1 431 . 1 . 1 21 21 G H21 H 1 9.213 . . 2 . . . . . 21 G H21 . 52045 1 432 . 1 . 1 21 21 G H22 H 1 7.066 . . 2 . . . . . 21 G H22 . 52045 1 433 . 1 . 1 21 21 G C1' C 13 92.349 . . 1 . . . . . 21 G C1' . 52045 1 434 . 1 . 1 21 21 G C2 C 13 156.286 . . 1 . . . . . 21 G C2 . 52045 1 435 . 1 . 1 21 21 G C2' C 13 73.973 . . 1 . . . . . 21 G C2' . 52045 1 436 . 1 . 1 21 21 G C3' C 13 72.446 . . 1 . . . . . 21 G C3' . 52045 1 437 . 1 . 1 21 21 G C4' C 13 79.614 . . 1 . . . . . 21 G C4' . 52045 1 438 . 1 . 1 21 21 G C5' C 13 67.675 . . 1 . . . . . 21 G C5' . 52045 1 439 . 1 . 1 21 21 G C6 C 13 162.636 . . 1 . . . . . 21 G C6 . 52045 1 440 . 1 . 1 21 21 G C8 C 13 139.499 . . 1 . . . . . 21 G C8 . 52045 1 441 . 1 . 1 21 21 G N1 N 15 142.859 . . 1 . . . . . 21 G N1 . 52045 1 442 . 1 . 1 21 21 G N2 N 15 81.198 . . 1 . . . . . 21 G N2 . 52045 1 443 . 1 . 1 21 21 G N7 N 15 226.847 . . 1 . . . . . 21 G N7 . 52045 1 444 . 1 . 1 21 21 G N9 N 15 168.230 . . 1 . . . . . 21 G N9 . 52045 1 445 . 1 . 1 21 21 G P P 31 -0.460 . . 1 . . . . . 21 G P . 52045 1 446 . 1 . 1 22 22 U H1' H 1 5.718 . . 1 . . . . . 22 U H1' . 52045 1 447 . 1 . 1 22 22 U H2' H 1 4.597 . . 1 . . . . . 22 U H2' . 52045 1 448 . 1 . 1 22 22 U H3 H 1 11.273 . . 1 . . . . . 22 U H3 . 52045 1 449 . 1 . 1 22 22 U H3' H 1 4.236 . . 1 . . . . . 22 U H3' . 52045 1 450 . 1 . 1 22 22 U H4' H 1 4.232 . . 1 . . . . . 22 U H4' . 52045 1 451 . 1 . 1 22 22 U H5 H 1 4.785 . . 1 . . . . . 22 U H5 . 52045 1 452 . 1 . 1 22 22 U H5' H 1 4.687 . . 2 . . . . . 22 U H5' . 52045 1 453 . 1 . 1 22 22 U H5'' H 1 4.375 . . 2 . . . . . 22 U H5'' . 52045 1 454 . 1 . 1 22 22 U H6 H 1 6.768 . . 1 . . . . . 22 U H6 . 52045 1 455 . 1 . 1 22 22 U C1' C 13 88.854 . . 1 . . . . . 22 U C1' . 52045 1 456 . 1 . 1 22 22 U C2 C 13 152.393 . . 1 . . . . . 22 U C2 . 52045 1 457 . 1 . 1 22 22 U C2' C 13 70.160 . . 1 . . . . . 22 U C2' . 52045 1 458 . 1 . 1 22 22 U C3' C 13 71.290 . . 1 . . . . . 22 U C3' . 52045 1 459 . 1 . 1 22 22 U C4' C 13 76.675 . . 1 . . . . . 22 U C4' . 52045 1 460 . 1 . 1 22 22 U C5 C 13 100.505 . . 1 . . . . . 22 U C5 . 52045 1 461 . 1 . 1 22 22 U C5' C 13 61.503 . . 1 . . . . . 22 U C5' . 52045 1 462 . 1 . 1 22 22 U C6 C 13 140.433 . . 1 . . . . . 22 U C6 . 52045 1 463 . 1 . 1 22 22 U N1 N 15 147.649 . . 1 . . . . . 22 U N1 . 52045 1 464 . 1 . 1 22 22 U N3 N 15 157.030 . . 1 . . . . . 22 U N3 . 52045 1 465 . 1 . 1 22 22 U P P 31 -1.254 . . 1 . . . . . 22 U P . 52045 1 466 . 1 . 1 23 23 G H1 H 1 11.490 . . 1 . . . . . 23 G H1 . 52045 1 467 . 1 . 1 23 23 G H1' H 1 5.902 . . 1 . . . . . 23 G H1' . 52045 1 468 . 1 . 1 23 23 G H2' H 1 5.454 . . 1 . . . . . 23 G H2' . 52045 1 469 . 1 . 1 23 23 G H3' H 1 4.670 . . 1 . . . . . 23 G H3' . 52045 1 470 . 1 . 1 23 23 G H4' H 1 4.655 . . 1 . . . . . 23 G H4' . 52045 1 471 . 1 . 1 23 23 G H5' H 1 4.388 . . 2 . . . . . 23 G H5' . 52045 1 472 . 1 . 1 23 23 G H5'' H 1 4.046 . . 2 . . . . . 23 G H5'' . 52045 1 473 . 1 . 1 23 23 G H8 H 1 8.249 . . 1 . . . . . 23 G H8 . 52045 1 474 . 1 . 1 23 23 G H21 H 1 9.656 . . 2 . . . . . 23 G H21 . 52045 1 475 . 1 . 1 23 23 G H22 H 1 9.656 . . 2 . . . . . 23 G H22 . 52045 1 476 . 1 . 1 23 23 G C1' C 13 83.608 . . 1 . . . . . 23 G C1' . 52045 1 477 . 1 . 1 23 23 G C2 C 13 155.780 . . 1 . . . . . 23 G C2 . 52045 1 478 . 1 . 1 23 23 G C2' C 13 72.042 . . 1 . . . . . 23 G C2' . 52045 1 479 . 1 . 1 23 23 G C3' C 13 73.588 . . 1 . . . . . 23 G C3' . 52045 1 480 . 1 . 1 23 23 G C4' C 13 84.238 . . 1 . . . . . 23 G C4' . 52045 1 481 . 1 . 1 23 23 G C5' C 13 66.743 . . 1 . . . . . 23 G C5' . 52045 1 482 . 1 . 1 23 23 G C6 C 13 163.132 . . 1 . . . . . 23 G C6 . 52045 1 483 . 1 . 1 23 23 G C8 C 13 136.317 . . 1 . . . . . 23 G C8 . 52045 1 484 . 1 . 1 23 23 G N1 N 15 144.807 . . 1 . . . . . 23 G N1 . 52045 1 485 . 1 . 1 23 23 G N2 N 15 79.719 . . 1 . . . . . 23 G N2 . 52045 1 486 . 1 . 1 23 23 G N7 N 15 237.853 . . 1 . . . . . 23 G N7 . 52045 1 487 . 1 . 1 23 23 G N9 N 15 166.091 . . 1 . . . . . 23 G N9 . 52045 1 488 . 1 . 1 23 23 G P P 31 -3.024 . . 1 . . . . . 23 G P . 52045 1 489 . 1 . 1 24 24 U H1' H 1 5.948 . . 1 . . . . . 24 U H1' . 52045 1 490 . 1 . 1 24 24 U H2' H 1 4.294 . . 1 . . . . . 24 U H2' . 52045 1 491 . 1 . 1 24 24 U H3' H 1 4.354 . . 1 . . . . . 24 U H3' . 52045 1 492 . 1 . 1 24 24 U H4' H 1 4.268 . . 1 . . . . . 24 U H4' . 52045 1 493 . 1 . 1 24 24 U H5 H 1 6.021 . . 1 . . . . . 24 U H5 . 52045 1 494 . 1 . 1 24 24 U H5' H 1 4.353 . . 2 . . . . . 24 U H5' . 52045 1 495 . 1 . 1 24 24 U H5'' H 1 4.263 . . 2 . . . . . 24 U H5'' . 52045 1 496 . 1 . 1 24 24 U H6 H 1 7.977 . . 1 . . . . . 24 U H6 . 52045 1 497 . 1 . 1 24 24 U C1' C 13 88.545 . . 1 . . . . . 24 U C1' . 52045 1 498 . 1 . 1 24 24 U C2 C 13 151.870 . . 1 . . . . . 24 U C2 . 52045 1 499 . 1 . 1 24 24 U C2' C 13 73.778 . . 1 . . . . . 24 U C2' . 52045 1 500 . 1 . 1 24 24 U C3' C 13 69.612 . . 1 . . . . . 24 U C3' . 52045 1 501 . 1 . 1 24 24 U C4' C 13 82.839 . . 1 . . . . . 24 U C4' . 52045 1 502 . 1 . 1 24 24 U C5 C 13 102.648 . . 1 . . . . . 24 U C5 . 52045 1 503 . 1 . 1 24 24 U C5' C 13 64.786 . . 1 . . . . . 24 U C5' . 52045 1 504 . 1 . 1 24 24 U C6 C 13 141.531 . . 1 . . . . . 24 U C6 . 52045 1 505 . 1 . 1 24 24 U N1 N 15 145.703 . . 1 . . . . . 24 U N1 . 52045 1 506 . 1 . 1 24 24 U N3 N 15 158.609 . . 1 . . . . . 24 U N3 . 52045 1 507 . 1 . 1 24 24 U P P 31 -0.164 . . 1 . . . . . 24 U P . 52045 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 52045 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name GU12_star _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 6 '2D H,N HCN BEST' . . . 52045 2 7 '2D 1H-13C HSQC sensitivity-enhanced CC decoupled' . . . 52045 2 10 '2D 1H-15N HSQC BEST' . . . 52045 2 17 '2D 1H-13C HSQC constant-time' . . . 52045 2 18 '3D HCP sensitivity-enhanced' . . . 52045 2 22 '2D H,N HCN BEST' . . . 52045 2 24 '2D 1H-15N HSQC long-range' . . . 52045 2 26 '2D 1H-15N HSQC BEST' . . . 52045 2 27 '3D H,N,N NOESY-1H,15N-HSQC' . . . 52045 2 28 '2D 1H-15N HSQC BEST' . . . 52045 2 37 '2D 1H-13C HSQC constant-time' . . . 52045 2 38 '3D HCP sensitivity-enhanced' . . . 52045 2 64 '2D 1H-13C HSQC sensitivity-enhanced CC decoupled' . . . 52045 2 65 '2D 1H-13C HSQC sensitivity-enhanced CC decoupled' . . . 52045 2 66 '2D 1H-15N HSQC long-range' . . . 52045 2 67 '2D 13C-15N CON' . . . 52045 2 68 '2D 13C-15N CON' . . . 52045 2 69 '2D 1H-13C HN(CA)CO' . . . 52045 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 4 $software_4 . . 52045 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 24 24 U H1' H 1 5.819 . . 1 . . . . . 24 U H1' . 52045 2 2 . 1 . 1 24 24 U H6 H 1 7.841 . . 1 . . . . . 24 U H6 . 52045 2 3 . 1 . 1 24 24 U C1' C 13 88.195 . . 1 . . . . . 24 U C1' . 52045 2 4 . 1 . 1 24 24 U C6 C 13 141.355 . . 1 . . . . . 24 U C6 . 52045 2 stop_ save_