################################### # 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 53720 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 7SK_SL3e-top_pH75_no-MgCl2_25C _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 2 '2D 1H-1H NOESY' . . . 53720 1 3 '2D 1H-13C HSQC' . . . 53720 1 4 '2D 1H-15N HSQC' . . . 53720 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53720 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 4.925 0.00 . . . . . . . 219 G H1' . 53720 1 2 . 1 . 1 1 1 G H8 H 1 8.139 0.00 . . . . . . . 219 G H8 . 53720 1 3 . 1 . 1 1 1 G C8 C 13 139.108 0.00 . . . . . . . 219 G C8 . 53720 1 4 . 1 . 1 2 2 G H1 H 1 13.439 0.00 . . . . . . . 220 G H1 . 53720 1 5 . 1 . 1 2 2 G H1' H 1 5.800 0.00 . . . . . . . 220 G H1' . 53720 1 6 . 1 . 1 2 2 G H8 H 1 7.689 0.00 . . . . . . . 220 G H8 . 53720 1 7 . 1 . 1 2 2 G C8 C 13 136.977 0.00 . . . . . . . 220 G C8 . 53720 1 8 . 1 . 1 2 2 G N1 N 15 148.658 0.00 . . . . . . . 220 G N1 . 53720 1 9 . 1 . 1 3 3 C H5 H 1 5.265 0.00 . . . . . . . 221 C H5 . 53720 1 10 . 1 . 1 3 3 C H6 H 1 7.696 0.00 . . . . . . . 221 C H6 . 53720 1 11 . 1 . 1 3 3 C H41 H 1 8.664 0.00 . . . . . . . 221 C H41 . 53720 1 12 . 1 . 1 3 3 C H42 H 1 6.872 0.00 . . . . . . . 221 C H42 . 53720 1 13 . 1 . 1 3 3 C C6 C 13 140.964 0.00 . . . . . . . 221 C C6 . 53720 1 14 . 1 . 1 4 4 C H5 H 1 5.536 0.00 . . . . . . . 222 C H5 . 53720 1 15 . 1 . 1 4 4 C H6 H 1 7.727 0.00 . . . . . . . 222 C H6 . 53720 1 16 . 1 . 1 4 4 C H41 H 1 8.507 0.00 . . . . . . . 222 C H41 . 53720 1 17 . 1 . 1 4 4 C H42 H 1 6.885 0.00 . . . . . . . 222 C H42 . 53720 1 18 . 1 . 1 4 4 C C6 C 13 141.255 0.00 . . . . . . . 222 C C6 . 53720 1 19 . 1 . 1 5 5 U H1' H 1 5.497 0.00 . . . . . . . 223 U H1' . 53720 1 20 . 1 . 1 5 5 U H5 H 1 5.387 0.00 . . . . . . . 223 U H5 . 53720 1 21 . 1 . 1 5 5 U H6 H 1 7.848 0.00 . . . . . . . 223 U H6 . 53720 1 22 . 1 . 1 5 5 U C6 C 13 142.310 0.01 . . . . . . . 223 U C6 . 53720 1 23 . 1 . 1 6 6 C H1' H 1 5.518 0.00 . . . . . . . 224 C H1' . 53720 1 24 . 1 . 1 6 6 C H5 H 1 5.605 0.00 . . . . . . . 224 C H5 . 53720 1 25 . 1 . 1 6 6 C H6 H 1 7.678 0.00 . . . . . . . 224 C H6 . 53720 1 26 . 1 . 1 6 6 C C6 C 13 141.497 0.00 . . . . . . . 224 C C6 . 53720 1 27 . 1 . 1 7 7 C H1' H 1 5.460 0.00 . . . . . . . 225 C H1' . 53720 1 28 . 1 . 1 7 7 C H5 H 1 5.665 0.00 . . . . . . . 225 C H5 . 53720 1 29 . 1 . 1 7 7 C H6 H 1 7.782 0.00 . . . . . . . 225 C H6 . 53720 1 30 . 1 . 1 7 7 C H41 H 1 8.169 0.00 . . . . . . . 225 C H41 . 53720 1 31 . 1 . 1 7 7 C H42 H 1 7.019 0.00 . . . . . . . 225 C H42 . 53720 1 32 . 1 . 1 7 7 C C6 C 13 140.610 0.00 . . . . . . . 225 C C6 . 53720 1 33 . 1 . 1 8 8 A H1' H 1 5.830 0.00 . . . . . . . 226 A H1' . 53720 1 34 . 1 . 1 8 8 A H2 H 1 6.686 0.00 . . . . . . . 226 A H2 . 53720 1 35 . 1 . 1 8 8 A H8 H 1 7.986 0.00 . . . . . . . 226 A H8 . 53720 1 36 . 1 . 1 8 8 A C2 C 13 152.137 0.00 . . . . . . . 226 A C2 . 53720 1 37 . 1 . 1 8 8 A C8 C 13 139.597 0.00 . . . . . . . 226 A C8 . 53720 1 38 . 1 . 1 9 9 A H1' H 1 5.755 0.00 . . . . . . . 227 A H1' . 53720 1 39 . 1 . 1 9 9 A H2 H 1 7.187 0.00 . . . . . . . 227 A H2 . 53720 1 40 . 1 . 1 9 9 A H8 H 1 7.597 0.00 . . . . . . . 227 A H8 . 53720 1 41 . 1 . 1 9 9 A C2 C 13 152.750 0.00 . . . . . . . 227 A C2 . 53720 1 42 . 1 . 1 9 9 A C8 C 13 139.070 0.00 . . . . . . . 227 A C8 . 53720 1 43 . 1 . 1 10 10 A H1' H 1 5.742 0.00 . . . . . . . 228 A H1' . 53720 1 44 . 1 . 1 10 10 A H2 H 1 7.745 0.00 . . . . . . . 228 A H2 . 53720 1 45 . 1 . 1 10 10 A H8 H 1 7.389 0.00 . . . . . . . 228 A H8 . 53720 1 46 . 1 . 1 10 10 A C2 C 13 154.076 0.00 . . . . . . . 228 A C2 . 53720 1 47 . 1 . 1 10 10 A C8 C 13 138.741 0.00 . . . . . . . 228 A C8 . 53720 1 48 . 1 . 1 11 11 C H1' H 1 5.166 0.00 . . . . . . . 229 C H1' . 53720 1 49 . 1 . 1 11 11 C H5 H 1 5.354 0.00 . . . . . . . 229 C H5 . 53720 1 50 . 1 . 1 11 11 C H6 H 1 7.386 0.00 . . . . . . . 229 C H6 . 53720 1 51 . 1 . 1 11 11 C C6 C 13 140.970 0.00 . . . . . . . 229 C C6 . 53720 1 52 . 1 . 1 12 12 A H2 H 1 7.569 0.00 . . . . . . . 230 A H2 . 53720 1 53 . 1 . 1 12 12 A H8 H 1 8.024 0.00 . . . . . . . 230 A H8 . 53720 1 54 . 1 . 1 12 12 A C2 C 13 154.060 0.00 . . . . . . . 230 A C2 . 53720 1 55 . 1 . 1 12 12 A C8 C 13 140.701 0.00 . . . . . . . 230 A C8 . 53720 1 56 . 1 . 1 13 13 A H1' H 1 5.670 0.00 . . . . . . . 231 A H1' . 53720 1 57 . 1 . 1 13 13 A H2 H 1 7.911 0.01 . . . . . . . 231 A H2 . 53720 1 58 . 1 . 1 13 13 A H8 H 1 7.873 0.00 . . . . . . . 231 A H8 . 53720 1 59 . 1 . 1 13 13 A C2 C 13 154.224 0.00 . . . . . . . 231 A C2 . 53720 1 60 . 1 . 1 13 13 A C8 C 13 139.890 0.00 . . . . . . . 231 A C8 . 53720 1 61 . 1 . 1 14 14 G H1' H 1 5.251 0.00 . . . . . . . 232 G H1' . 53720 1 62 . 1 . 1 14 14 G H8 H 1 7.165 0.00 . . . . . . . 232 G H8 . 53720 1 63 . 1 . 1 14 14 G C8 C 13 136.542 0.00 . . . . . . . 232 G C8 . 53720 1 64 . 1 . 1 15 15 C H1' H 1 5.526 0.00 . . . . . . . 233 C H1' . 53720 1 65 . 1 . 1 15 15 C H5 H 1 5.313 0.03 . . . . . . . 233 C H5 . 53720 1 66 . 1 . 1 15 15 C H6 H 1 7.557 0.00 . . . . . . . 233 C H6 . 53720 1 67 . 1 . 1 15 15 C C6 C 13 140.942 0.01 . . . . . . . 233 C C6 . 53720 1 68 . 1 . 1 16 16 U H6 H 1 7.681 0.00 . . . . . . . 234 U H6 . 53720 1 69 . 1 . 1 16 16 U C6 C 13 141.167 0.00 . . . . . . . 234 U C6 . 53720 1 70 . 1 . 1 17 17 C H5 H 1 5.793 0.00 . . . . . . . 235 C H5 . 53720 1 71 . 1 . 1 17 17 C H6 H 1 7.598 0.00 . . . . . . . 235 C H6 . 53720 1 72 . 1 . 1 17 17 C C6 C 13 143.144 0.01 . . . . . . . 235 C C6 . 53720 1 73 . 1 . 1 18 18 U H5 H 1 5.675 0.00 . . . . . . . 236 U H5 . 53720 1 74 . 1 . 1 18 18 U H6 H 1 7.718 0.00 . . . . . . . 236 U H6 . 53720 1 75 . 1 . 1 18 18 U C6 C 13 143.138 0.00 . . . . . . . 236 U C6 . 53720 1 76 . 1 . 1 19 19 C H5 H 1 5.800 0.00 . . . . . . . 237 C H5 . 53720 1 77 . 1 . 1 19 19 C H6 H 1 7.839 0.00 . . . . . . . 237 C H6 . 53720 1 78 . 1 . 1 19 19 C C6 C 13 142.317 0.00 . . . . . . . 237 C C6 . 53720 1 79 . 1 . 1 20 20 A H2 H 1 7.928 0.00 . . . . . . . 238 A H2 . 53720 1 80 . 1 . 1 20 20 A H8 H 1 8.143 0.00 . . . . . . . 238 A H8 . 53720 1 81 . 1 . 1 20 20 A C2 C 13 154.933 0.00 . . . . . . . 238 A C2 . 53720 1 82 . 1 . 1 20 20 A C8 C 13 141.487 0.00 . . . . . . . 238 A C8 . 53720 1 83 . 1 . 1 21 21 A H1' H 1 5.845 0.00 . . . . . . . 239 A H1' . 53720 1 84 . 1 . 1 21 21 A H2 H 1 8.016 0.00 . . . . . . . 239 A H2 . 53720 1 85 . 1 . 1 21 21 A H8 H 1 8.123 0.01 . . . . . . . 239 A H8 . 53720 1 86 . 1 . 1 21 21 A C2 C 13 154.963 0.00 . . . . . . . 239 A C2 . 53720 1 87 . 1 . 1 21 21 A C8 C 13 141.245 0.00 . . . . . . . 239 A C8 . 53720 1 88 . 1 . 1 22 22 G H1' H 1 5.152 0.00 . . . . . . . 240 G H1' . 53720 1 89 . 1 . 1 22 22 G H8 H 1 7.623 0.00 . . . . . . . 240 G H8 . 53720 1 90 . 1 . 1 22 22 G C8 C 13 137.897 0.00 . . . . . . . 240 G C8 . 53720 1 91 . 1 . 1 23 23 G H1' H 1 5.718 0.00 . . . . . . . 241 G H1' . 53720 1 92 . 1 . 1 23 23 G H8 H 1 7.266 0.00 . . . . . . . 241 G H8 . 53720 1 93 . 1 . 1 23 23 G C8 C 13 136.674 0.00 . . . . . . . 241 G C8 . 53720 1 94 . 1 . 1 24 24 U H1' H 1 5.592 0.00 . . . . . . . 242 U H1' . 53720 1 95 . 1 . 1 24 24 U H5 H 1 5.330 0.03 . . . . . . . 242 U H5 . 53720 1 96 . 1 . 1 24 24 U H6 H 1 7.557 0.00 . . . . . . . 242 U H6 . 53720 1 97 . 1 . 1 24 24 U C6 C 13 140.668 0.01 . . . . . . . 242 U C6 . 53720 1 98 . 1 . 1 25 25 C H5 H 1 5.667 0.00 . . . . . . . 243 C H5 . 53720 1 99 . 1 . 1 25 25 C H6 H 1 7.817 0.00 . . . . . . . 243 C H6 . 53720 1 100 . 1 . 1 25 25 C C6 C 13 142.065 0.00 . . . . . . . 243 C C6 . 53720 1 101 . 1 . 1 26 26 C H1' H 1 5.720 0.00 . . . . . . . 244 C H1' . 53720 1 102 . 1 . 1 26 26 C H5 H 1 5.671 0.01 . . . . . . . 244 C H5 . 53720 1 103 . 1 . 1 26 26 C H6 H 1 7.737 0.00 . . . . . . . 244 C H6 . 53720 1 104 . 1 . 1 26 26 C C6 C 13 142.084 0.01 . . . . . . . 244 C C6 . 53720 1 105 . 1 . 1 27 27 A H1' H 1 5.807 0.00 . . . . . . . 245 A H1' . 53720 1 106 . 1 . 1 27 27 A H2 H 1 7.652 0.01 . . . . . . . 245 A H2 . 53720 1 107 . 1 . 1 27 27 A H8 H 1 8.087 0.00 . . . . . . . 245 A H8 . 53720 1 108 . 1 . 1 27 27 A C2 C 13 153.669 0.00 . . . . . . . 245 A C2 . 53720 1 109 . 1 . 1 27 27 A C8 C 13 140.634 0.00 . . . . . . . 245 A C8 . 53720 1 110 . 1 . 1 28 28 U H1' H 1 4.982 0.00 . . . . . . . 246 U H1' . 53720 1 111 . 1 . 1 28 28 U H5 H 1 5.405 0.00 . . . . . . . 246 U H5 . 53720 1 112 . 1 . 1 28 28 U H6 H 1 7.452 0.00 . . . . . . . 246 U H6 . 53720 1 113 . 1 . 1 28 28 U C6 C 13 141.166 0.01 . . . . . . . 246 U C6 . 53720 1 114 . 1 . 1 29 29 U H1' H 1 5.608 0.00 . . . . . . . 247 U H1' . 53720 1 115 . 1 . 1 29 29 U H5 H 1 5.578 0.00 . . . . . . . 247 U H5 . 53720 1 116 . 1 . 1 29 29 U H6 H 1 7.910 0.00 . . . . . . . 247 U H6 . 53720 1 117 . 1 . 1 29 29 U C6 C 13 142.584 0.01 . . . . . . . 247 U C6 . 53720 1 118 . 1 . 1 30 30 U H1' H 1 5.552 0.00 . . . . . . . 248 U H1' . 53720 1 119 . 1 . 1 30 30 U H3 H 1 13.120 0.00 . . . . . . . 248 U H3 . 53720 1 120 . 1 . 1 30 30 U H5 H 1 5.530 0.00 . . . . . . . 248 U H5 . 53720 1 121 . 1 . 1 30 30 U H6 H 1 7.860 0.00 . . . . . . . 248 U H6 . 53720 1 122 . 1 . 1 30 30 U C6 C 13 142.056 0.01 . . . . . . . 248 U C6 . 53720 1 123 . 1 . 1 30 30 U N3 N 15 162.337 0.00 . . . . . . . 248 U N3 . 53720 1 124 . 1 . 1 31 31 G H1 H 1 12.356 0.00 . . . . . . . 249 G H1 . 53720 1 125 . 1 . 1 31 31 G H1' H 1 5.676 0.00 . . . . . . . 249 G H1' . 53720 1 126 . 1 . 1 31 31 G H8 H 1 7.684 0.00 . . . . . . . 249 G H8 . 53720 1 127 . 1 . 1 31 31 G C8 C 13 136.820 0.00 . . . . . . . 249 G C8 . 53720 1 128 . 1 . 1 31 31 G N1 N 15 147.350 0.00 . . . . . . . 249 G N1 . 53720 1 129 . 1 . 1 32 32 U H1' H 1 5.530 0.00 . . . . . . . 250 U H1' . 53720 1 130 . 1 . 1 32 32 U H5 H 1 4.901 0.00 . . . . . . . 250 U H5 . 53720 1 131 . 1 . 1 32 32 U H6 H 1 7.456 0.00 . . . . . . . 250 U H6 . 53720 1 132 . 1 . 1 32 32 U C6 C 13 140.877 0.01 . . . . . . . 250 U C6 . 53720 1 133 . 1 . 1 33 33 A H1' H 1 5.992 0.00 . . . . . . . 251 A H1' . 53720 1 134 . 1 . 1 33 33 A H2 H 1 7.295 0.00 . . . . . . . 251 A H2 . 53720 1 135 . 1 . 1 33 33 A H8 H 1 7.948 0.00 . . . . . . . 251 A H8 . 53720 1 136 . 1 . 1 33 33 A C2 C 13 153.397 0.00 . . . . . . . 251 A C2 . 53720 1 137 . 1 . 1 33 33 A C8 C 13 139.021 0.00 . . . . . . . 251 A C8 . 53720 1 138 . 1 . 1 34 34 G H1 H 1 12.891 0.00 . . . . . . . 252 G H1 . 53720 1 139 . 1 . 1 34 34 G H1' H 1 5.625 0.00 . . . . . . . 252 G H1' . 53720 1 140 . 1 . 1 34 34 G H8 H 1 7.181 0.00 . . . . . . . 252 G H8 . 53720 1 141 . 1 . 1 34 34 G C8 C 13 135.706 0.00 . . . . . . . 252 G C8 . 53720 1 142 . 1 . 1 34 34 G N1 N 15 147.494 0.00 . . . . . . . 252 G N1 . 53720 1 143 . 1 . 1 35 35 G H1 H 1 13.314 0.00 . . . . . . . 253 G H1 . 53720 1 144 . 1 . 1 35 35 G H1' H 1 5.728 0.00 . . . . . . . 253 G H1' . 53720 1 145 . 1 . 1 35 35 G H8 H 1 7.227 0.00 . . . . . . . 253 G H8 . 53720 1 146 . 1 . 1 35 35 G C8 C 13 135.907 0.00 . . . . . . . 253 G C8 . 53720 1 147 . 1 . 1 35 35 G N1 N 15 148.917 0.00 . . . . . . . 253 G N1 . 53720 1 148 . 1 . 1 36 36 C H1' H 1 5.538 0.00 . . . . . . . 254 C H1' . 53720 1 149 . 1 . 1 36 36 C H5 H 1 5.196 0.00 . . . . . . . 254 C H5 . 53720 1 150 . 1 . 1 36 36 C H6 H 1 7.616 0.00 . . . . . . . 254 C H6 . 53720 1 151 . 1 . 1 36 36 C H41 H 1 8.639 0.00 . . . . . . . 254 C H41 . 53720 1 152 . 1 . 1 36 36 C H42 H 1 6.910 0.00 . . . . . . . 254 C H42 . 53720 1 153 . 1 . 1 36 36 C C6 C 13 140.987 0.00 . . . . . . . 254 C C6 . 53720 1 154 . 1 . 1 37 37 C H5 H 1 5.543 0.00 . . . . . . . 255 C H5 . 53720 1 155 . 1 . 1 37 37 C H6 H 1 7.678 0.00 . . . . . . . 255 C H6 . 53720 1 156 . 1 . 1 37 37 C H41 H 1 8.397 0.00 . . . . . . . 255 C H41 . 53720 1 157 . 1 . 1 37 37 C H42 H 1 7.013 0.00 . . . . . . . 255 C H42 . 53720 1 158 . 1 . 1 37 37 C C6 C 13 141.639 0.01 . . . . . . . 255 C C6 . 53720 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 53720 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 7SK_SL3e-top_pH75_no-MgCl2_40C _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 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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 2 '2D 1H-1H NOESY' . . . 53720 2 3 '2D 1H-13C HSQC' . . . 53720 2 4 '2D 1H-15N HSQC' . . . 53720 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 1 $software_1 . . 53720 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 4.922 0.00 . . . . . . . 219 G H1' . 53720 2 2 . 1 . 1 1 1 G H8 H 1 8.127 0.00 . . . . . . . 219 G H8 . 53720 2 3 . 1 . 1 1 1 G C8 C 13 139.116 0.00 . . . . . . . 219 G C8 . 53720 2 4 . 1 . 1 2 2 G H1 H 1 13.393 0.00 . . . . . . . 220 G H1 . 53720 2 5 . 1 . 1 2 2 G H1' H 1 5.806 0.00 . . . . . . . 220 G H1' . 53720 2 6 . 1 . 1 2 2 G H8 H 1 7.684 0.00 . . . . . . . 220 G H8 . 53720 2 7 . 1 . 1 2 2 G C8 C 13 137.090 0.00 . . . . . . . 220 G C8 . 53720 2 8 . 1 . 1 2 2 G N1 N 15 148.671 0.00 . . . . . . . 220 G N1 . 53720 2 9 . 1 . 1 3 3 C H5 H 1 5.279 0.00 . . . . . . . 221 C H5 . 53720 2 10 . 1 . 1 3 3 C H6 H 1 7.682 0.00 . . . . . . . 221 C H6 . 53720 2 11 . 1 . 1 3 3 C H41 H 1 8.634 0.00 . . . . . . . 221 C H41 . 53720 2 12 . 1 . 1 3 3 C H42 H 1 6.796 0.00 . . . . . . . 221 C H42 . 53720 2 13 . 1 . 1 3 3 C C6 C 13 141.065 0.00 . . . . . . . 221 C C6 . 53720 2 14 . 1 . 1 4 4 C H5 H 1 5.548 0.00 . . . . . . . 222 C H5 . 53720 2 15 . 1 . 1 4 4 C H6 H 1 7.719 0.00 . . . . . . . 222 C H6 . 53720 2 16 . 1 . 1 4 4 C H41 H 1 8.479 0.00 . . . . . . . 222 C H41 . 53720 2 17 . 1 . 1 4 4 C H42 H 1 6.814 0.00 . . . . . . . 222 C H42 . 53720 2 18 . 1 . 1 4 4 C C6 C 13 141.329 0.00 . . . . . . . 222 C C6 . 53720 2 19 . 1 . 1 5 5 U H1' H 1 5.527 0.00 . . . . . . . 223 U H1' . 53720 2 20 . 1 . 1 5 5 U H5 H 1 5.395 0.00 . . . . . . . 223 U H5 . 53720 2 21 . 1 . 1 5 5 U H6 H 1 7.835 0.00 . . . . . . . 223 U H6 . 53720 2 22 . 1 . 1 5 5 U C6 C 13 142.315 0.03 . . . . . . . 223 U C6 . 53720 2 23 . 1 . 1 6 6 C H1' H 1 5.531 0.00 . . . . . . . 224 C H1' . 53720 2 24 . 1 . 1 6 6 C H5 H 1 5.580 0.08 . . . . . . . 224 C H5 . 53720 2 25 . 1 . 1 6 6 C H6 H 1 7.682 0.02 . . . . . . . 224 C H6 . 53720 2 26 . 1 . 1 6 6 C C6 C 13 141.625 0.01 . . . . . . . 224 C C6 . 53720 2 27 . 1 . 1 7 7 C H1' H 1 5.470 0.00 . . . . . . . 225 C H1' . 53720 2 28 . 1 . 1 7 7 C H5 H 1 5.665 0.00 . . . . . . . 225 C H5 . 53720 2 29 . 1 . 1 7 7 C H6 H 1 7.766 0.00 . . . . . . . 225 C H6 . 53720 2 30 . 1 . 1 7 7 C H42 H 1 6.932 0.00 . . . . . . . 225 C H42 . 53720 2 31 . 1 . 1 7 7 C C6 C 13 140.804 0.00 . . . . . . . 225 C C6 . 53720 2 32 . 1 . 1 8 8 A H1' H 1 5.838 0.00 . . . . . . . 226 A H1' . 53720 2 33 . 1 . 1 8 8 A H2 H 1 6.762 0.00 . . . . . . . 226 A H2 . 53720 2 34 . 1 . 1 8 8 A H8 H 1 7.985 0.00 . . . . . . . 226 A H8 . 53720 2 35 . 1 . 1 8 8 A C2 C 13 152.341 0.00 . . . . . . . 226 A C2 . 53720 2 36 . 1 . 1 8 8 A C8 C 13 139.718 0.00 . . . . . . . 226 A C8 . 53720 2 37 . 1 . 1 9 9 A H1' H 1 5.749 0.00 . . . . . . . 227 A H1' . 53720 2 38 . 1 . 1 9 9 A H2 H 1 7.261 0.00 . . . . . . . 227 A H2 . 53720 2 39 . 1 . 1 9 9 A H8 H 1 7.604 0.00 . . . . . . . 227 A H8 . 53720 2 40 . 1 . 1 9 9 A C2 C 13 153.002 0.00 . . . . . . . 227 A C2 . 53720 2 41 . 1 . 1 9 9 A C8 C 13 139.208 0.00 . . . . . . . 227 A C8 . 53720 2 42 . 1 . 1 10 10 A H1' H 1 5.722 0.02 . . . . . . . 228 A H1' . 53720 2 43 . 1 . 1 10 10 A H2 H 1 7.765 0.00 . . . . . . . 228 A H2 . 53720 2 44 . 1 . 1 10 10 A H8 H 1 7.463 0.00 . . . . . . . 228 A H8 . 53720 2 45 . 1 . 1 10 10 A C2 C 13 154.351 0.00 . . . . . . . 228 A C2 . 53720 2 46 . 1 . 1 10 10 A C8 C 13 139.040 0.00 . . . . . . . 228 A C8 . 53720 2 47 . 1 . 1 11 11 C H1' H 1 5.282 0.00 . . . . . . . 229 C H1' . 53720 2 48 . 1 . 1 11 11 C H5 H 1 5.363 0.00 . . . . . . . 229 C H5 . 53720 2 49 . 1 . 1 11 11 C H6 H 1 7.385 0.00 . . . . . . . 229 C H6 . 53720 2 50 . 1 . 1 11 11 C C6 C 13 141.351 0.00 . . . . . . . 229 C C6 . 53720 2 51 . 1 . 1 12 12 A H1' H 1 5.785 0.00 . . . . . . . 230 A H1' . 53720 2 52 . 1 . 1 12 12 A H2 H 1 7.643 0.00 . . . . . . . 230 A H2 . 53720 2 53 . 1 . 1 12 12 A H8 H 1 8.044 0.00 . . . . . . . 230 A H8 . 53720 2 54 . 1 . 1 12 12 A C2 C 13 154.359 0.00 . . . . . . . 230 A C2 . 53720 2 55 . 1 . 1 12 12 A C8 C 13 140.924 0.00 . . . . . . . 230 A C8 . 53720 2 56 . 1 . 1 13 13 A H1' H 1 5.741 0.00 . . . . . . . 231 A H1' . 53720 2 57 . 1 . 1 13 13 A H2 H 1 7.934 0.00 . . . . . . . 231 A H2 . 53720 2 58 . 1 . 1 13 13 A H8 H 1 7.897 0.00 . . . . . . . 231 A H8 . 53720 2 59 . 1 . 1 13 13 A C2 C 13 154.596 0.00 . . . . . . . 231 A C2 . 53720 2 60 . 1 . 1 13 13 A C8 C 13 140.164 0.00 . . . . . . . 231 A C8 . 53720 2 61 . 1 . 1 14 14 G H1 H 1 5.350 0.00 . . . . . . . 232 G H1 . 53720 2 62 . 1 . 1 14 14 G H1' H 1 5.356 0.00 . . . . . . . 232 G H1' . 53720 2 63 . 1 . 1 14 14 G H8 H 1 7.351 0.01 . . . . . . . 232 G H8 . 53720 2 64 . 1 . 1 14 14 G C8 C 13 136.938 0.00 . . . . . . . 232 G C8 . 53720 2 65 . 1 . 1 15 15 C H5 H 1 5.386 0.00 . . . . . . . 233 C H5 . 53720 2 66 . 1 . 1 15 15 C H6 H 1 7.594 0.00 . . . . . . . 233 C H6 . 53720 2 67 . 1 . 1 15 15 C C6 C 13 141.429 0.00 . . . . . . . 233 C C6 . 53720 2 68 . 1 . 1 16 16 U H5 H 1 5.605 0.00 . . . . . . . 234 U H5 . 53720 2 69 . 1 . 1 16 16 U H6 H 1 7.705 0.00 . . . . . . . 234 U H6 . 53720 2 70 . 1 . 1 16 16 U C6 C 13 141.741 0.01 . . . . . . . 234 U C6 . 53720 2 71 . 1 . 1 17 17 C H5 H 1 5.858 0.00 . . . . . . . 235 C H5 . 53720 2 72 . 1 . 1 17 17 C H6 H 1 7.607 0.00 . . . . . . . 235 C H6 . 53720 2 73 . 1 . 1 17 17 C C6 C 13 143.353 0.00 . . . . . . . 235 C C6 . 53720 2 74 . 1 . 1 18 18 U H5 H 1 5.719 0.00 . . . . . . . 236 U H5 . 53720 2 75 . 1 . 1 18 18 U H6 H 1 7.728 0.00 . . . . . . . 236 U H6 . 53720 2 76 . 1 . 1 18 18 U C6 C 13 143.266 0.00 . . . . . . . 236 U C6 . 53720 2 77 . 1 . 1 19 19 C H5 H 1 5.855 0.00 . . . . . . . 237 C H5 . 53720 2 78 . 1 . 1 19 19 C H6 H 1 7.837 0.00 . . . . . . . 237 C H6 . 53720 2 79 . 1 . 1 19 19 C C6 C 13 142.671 0.00 . . . . . . . 237 C C6 . 53720 2 80 . 1 . 1 20 20 A H2 H 1 7.946 0.00 . . . . . . . 238 A H2 . 53720 2 81 . 1 . 1 20 20 A H8 H 1 8.165 0.00 . . . . . . . 238 A H8 . 53720 2 82 . 1 . 1 20 20 A C2 C 13 155.079 0.00 . . . . . . . 238 A C2 . 53720 2 83 . 1 . 1 20 20 A C8 C 13 141.725 0.00 . . . . . . . 238 A C8 . 53720 2 84 . 1 . 1 21 21 A H1' H 1 5.892 0.00 . . . . . . . 239 A H1' . 53720 2 85 . 1 . 1 21 21 A H2 H 1 8.006 0.00 . . . . . . . 239 A H2 . 53720 2 86 . 1 . 1 21 21 A H8 H 1 8.167 0.00 . . . . . . . 239 A H8 . 53720 2 87 . 1 . 1 21 21 A C2 C 13 155.053 0.00 . . . . . . . 239 A C2 . 53720 2 88 . 1 . 1 21 21 A C8 C 13 141.463 0.00 . . . . . . . 239 A C8 . 53720 2 89 . 1 . 1 22 22 G H1' H 1 5.396 0.00 . . . . . . . 240 G H1' . 53720 2 90 . 1 . 1 22 22 G H8 H 1 7.672 0.00 . . . . . . . 240 G H8 . 53720 2 91 . 1 . 1 22 22 G C8 C 13 138.328 0.00 . . . . . . . 240 G C8 . 53720 2 92 . 1 . 1 23 23 G H8 H 1 7.383 0.00 . . . . . . . 241 G H8 . 53720 2 93 . 1 . 1 23 23 G C8 C 13 137.232 0.00 . . . . . . . 241 G C8 . 53720 2 94 . 1 . 1 24 24 U H5 H 1 5.405 0.00 . . . . . . . 242 U H5 . 53720 2 95 . 1 . 1 24 24 U H6 H 1 7.580 0.01 . . . . . . . 242 U H6 . 53720 2 96 . 1 . 1 24 24 U C6 C 13 141.235 0.00 . . . . . . . 242 U C6 . 53720 2 97 . 1 . 1 25 25 C H5 H 1 5.701 0.00 . . . . . . . 243 C H5 . 53720 2 98 . 1 . 1 25 25 C H6 H 1 7.784 0.00 . . . . . . . 243 C H6 . 53720 2 99 . 1 . 1 25 25 C C6 C 13 142.348 0.00 . . . . . . . 243 C C6 . 53720 2 100 . 1 . 1 26 26 C H1' H 1 5.720 0.00 . . . . . . . 244 C H1' . 53720 2 101 . 1 . 1 26 26 C H5 H 1 5.718 0.00 . . . . . . . 244 C H5 . 53720 2 102 . 1 . 1 26 26 C H6 H 1 7.716 0.00 . . . . . . . 244 C H6 . 53720 2 103 . 1 . 1 26 26 C C6 C 13 142.342 0.00 . . . . . . . 244 C C6 . 53720 2 104 . 1 . 1 27 27 A H1' H 1 5.841 0.00 . . . . . . . 245 A H1' . 53720 2 105 . 1 . 1 27 27 A H2 H 1 7.762 0.00 . . . . . . . 245 A H2 . 53720 2 106 . 1 . 1 27 27 A H8 H 1 8.126 0.00 . . . . . . . 245 A H8 . 53720 2 107 . 1 . 1 27 27 A C2 C 13 154.199 0.00 . . . . . . . 245 A C2 . 53720 2 108 . 1 . 1 27 27 A C8 C 13 140.868 0.00 . . . . . . . 245 A C8 . 53720 2 109 . 1 . 1 28 28 U H1' H 1 5.214 0.00 . . . . . . . 246 U H1' . 53720 2 110 . 1 . 1 28 28 U H5 H 1 5.463 0.00 . . . . . . . 246 U H5 . 53720 2 111 . 1 . 1 28 28 U H6 H 1 7.529 0.00 . . . . . . . 246 U H6 . 53720 2 112 . 1 . 1 28 28 U C6 C 13 141.728 0.01 . . . . . . . 246 U C6 . 53720 2 113 . 1 . 1 29 29 U H1' H 1 5.626 0.00 . . . . . . . 247 U H1' . 53720 2 114 . 1 . 1 29 29 U H5 H 1 5.634 0.00 . . . . . . . 247 U H5 . 53720 2 115 . 1 . 1 29 29 U H6 H 1 7.910 0.00 . . . . . . . 247 U H6 . 53720 2 116 . 1 . 1 29 29 U C6 C 13 142.793 0.01 . . . . . . . 247 U C6 . 53720 2 117 . 1 . 1 30 30 U H1' H 1 5.580 0.00 . . . . . . . 248 U H1' . 53720 2 118 . 1 . 1 30 30 U H5 H 1 5.562 0.00 . . . . . . . 248 U H5 . 53720 2 119 . 1 . 1 30 30 U H6 H 1 7.852 0.00 . . . . . . . 248 U H6 . 53720 2 120 . 1 . 1 30 30 U C6 C 13 142.195 0.01 . . . . . . . 248 U C6 . 53720 2 121 . 1 . 1 31 31 G H1 H 1 12.354 0.00 . . . . . . . 249 G H1 . 53720 2 122 . 1 . 1 31 31 G H1' H 1 5.683 0.00 . . . . . . . 249 G H1' . 53720 2 123 . 1 . 1 31 31 G H8 H 1 7.688 0.00 . . . . . . . 249 G H8 . 53720 2 124 . 1 . 1 31 31 G C8 C 13 136.894 0.00 . . . . . . . 249 G C8 . 53720 2 125 . 1 . 1 31 31 G N1 N 15 147.451 0.00 . . . . . . . 249 G N1 . 53720 2 126 . 1 . 1 32 32 U H1' H 1 5.537 0.00 . . . . . . . 250 U H1' . 53720 2 127 . 1 . 1 32 32 U H5 H 1 4.930 0.00 . . . . . . . 250 U H5 . 53720 2 128 . 1 . 1 32 32 U H6 H 1 7.463 0.00 . . . . . . . 250 U H6 . 53720 2 129 . 1 . 1 32 32 U C6 C 13 140.984 0.00 . . . . . . . 250 U C6 . 53720 2 130 . 1 . 1 33 33 A H1' H 1 5.989 0.00 . . . . . . . 251 A H1' . 53720 2 131 . 1 . 1 33 33 A H2 H 1 7.324 0.00 . . . . . . . 251 A H2 . 53720 2 132 . 1 . 1 33 33 A H8 H 1 7.959 0.00 . . . . . . . 251 A H8 . 53720 2 133 . 1 . 1 33 33 A C2 C 13 153.422 0.00 . . . . . . . 251 A C2 . 53720 2 134 . 1 . 1 33 33 A C8 C 13 139.214 0.00 . . . . . . . 251 A C8 . 53720 2 135 . 1 . 1 34 34 G H1 H 1 12.854 0.00 . . . . . . . 252 G H1 . 53720 2 136 . 1 . 1 34 34 G H1' H 1 5.635 0.00 . . . . . . . 252 G H1' . 53720 2 137 . 1 . 1 34 34 G H8 H 1 7.185 0.00 . . . . . . . 252 G H8 . 53720 2 138 . 1 . 1 34 34 G C8 C 13 135.778 0.00 . . . . . . . 252 G C8 . 53720 2 139 . 1 . 1 34 34 G N1 N 15 147.550 0.00 . . . . . . . 252 G N1 . 53720 2 140 . 1 . 1 35 35 G H1 H 1 13.281 0.00 . . . . . . . 253 G H1 . 53720 2 141 . 1 . 1 35 35 G H1' H 1 5.728 0.00 . . . . . . . 253 G H1' . 53720 2 142 . 1 . 1 35 35 G H8 H 1 7.212 0.00 . . . . . . . 253 G H8 . 53720 2 143 . 1 . 1 35 35 G C8 C 13 136.014 0.00 . . . . . . . 253 G C8 . 53720 2 144 . 1 . 1 35 35 G N1 N 15 148.946 0.00 . . . . . . . 253 G N1 . 53720 2 145 . 1 . 1 36 36 C H1' H 1 5.552 0.00 . . . . . . . 254 C H1' . 53720 2 146 . 1 . 1 36 36 C H5 H 1 5.202 0.00 . . . . . . . 254 C H5 . 53720 2 147 . 1 . 1 36 36 C H6 H 1 7.613 0.00 . . . . . . . 254 C H6 . 53720 2 148 . 1 . 1 36 36 C H41 H 1 8.613 0.00 . . . . . . . 254 C H41 . 53720 2 149 . 1 . 1 36 36 C H42 H 1 6.832 0.00 . . . . . . . 254 C H42 . 53720 2 150 . 1 . 1 36 36 C C6 C 13 141.098 0.00 . . . . . . . 254 C C6 . 53720 2 151 . 1 . 1 37 37 C H5 H 1 5.551 0.00 . . . . . . . 255 C H5 . 53720 2 152 . 1 . 1 37 37 C H6 H 1 7.679 0.00 . . . . . . . 255 C H6 . 53720 2 153 . 1 . 1 37 37 C H41 H 1 8.335 0.00 . . . . . . . 255 C H41 . 53720 2 154 . 1 . 1 37 37 C H42 H 1 6.941 0.00 . . . . . . . 255 C H42 . 53720 2 155 . 1 . 1 37 37 C C6 C 13 141.808 0.01 . . . . . . . 255 C C6 . 53720 2 stop_ save_