################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25049 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' . . . 25049 1 2 '2D 1H-1H NOESYin H2O' . . . 25049 1 3 '2D 1H-1H NOESYin D2O' . . . 25049 1 4 '3D 1H-13C NOESY' . . . 25049 1 5 '2D 1H-15N HSQC' . . . 25049 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 5.84074727273 0.0 . 1 . . . A 93 G H1' . 25049 1 2 . 1 1 1 1 G H2' H 1 4.92399272727 0.0 . 1 . . . A 93 G H2' . 25049 1 3 . 1 1 1 1 G H3' H 1 4.56481 0.0 . 1 . . . A 93 G H3' . 25049 1 4 . 1 1 1 1 G H4' H 1 4.565196 0.0 . 1 . . . A 93 G H4' . 25049 1 5 . 1 1 1 1 G H5' H 1 4.27971 0.0 . 2 . . . A 93 G H5' . 25049 1 6 . 1 1 1 1 G H5'' H 1 4.4264275 0.0 . 2 . . . A 93 G H5'' . 25049 1 7 . 1 1 1 1 G H8 H 1 8.14055454545 0.0 . 1 . . . A 93 G H8 . 25049 1 8 . 1 1 1 1 G C1' C 13 91.03584 0.0 . 1 . . . A 93 G C1' . 25049 1 9 . 1 1 1 1 G C2' C 13 74.78263 0.0 . 1 . . . A 93 G C2' . 25049 1 10 . 1 1 1 1 G C4' C 13 83.54225 0.0 . 1 . . . A 93 G C4' . 25049 1 11 . 1 1 1 1 G C5' C 13 67.28905 0.0 . 1 . . . A 93 G C5' . 25049 1 12 . 1 1 1 1 G C8 C 13 139.15388 0.0 . 1 . . . A 93 G C8 . 25049 1 13 . 1 1 2 2 G H1' H 1 5.933185 0.0 . 1 . . . A 94 G H1' . 25049 1 14 . 1 1 2 2 G H8 H 1 7.57025333333 0.0 . 1 . . . A 94 G H8 . 25049 1 15 . 1 1 2 2 G C8 C 13 136.96826 0.0 . 1 . . . A 94 G C8 . 25049 1 16 . 1 1 3 3 G H1' H 1 5.80164 0.0 . 1 . . . A 95 G H1' . 25049 1 17 . 1 1 3 3 G H8 H 1 7.27277428571 0.0 . 1 . . . A 95 G H8 . 25049 1 18 . 1 1 3 3 G C8 C 13 136.03156 0.0 . 1 . . . A 95 G C8 . 25049 1 19 . 1 1 4 4 C H1' H 1 5.54578 0.0 . 1 . . . A 96 C H1' . 25049 1 20 . 1 1 4 4 C H5 H 1 5.192855 0.0 . 1 . . . A 96 C H5 . 25049 1 21 . 1 1 4 4 C H6 H 1 7.42615 0.0 . 1 . . . A 96 C H6 . 25049 1 22 . 1 1 4 4 C C5 C 13 97.592715 0.0 . 1 . . . A 96 C C5 . 25049 1 23 . 1 1 4 4 C C6 C 13 140.402816667 0.0 . 1 . . . A 96 C C6 . 25049 1 24 . 1 1 5 5 G H1' H 1 5.718052 0.0 . 1 . . . A 97 G H1' . 25049 1 25 . 1 1 5 5 G H8 H 1 7.5683525 0.0 . 1 . . . A 97 G H8 . 25049 1 26 . 1 1 5 5 G C1' C 13 92.90923 0.0 . 1 . . . A 97 G C1' . 25049 1 27 . 1 1 5 5 G C8 C 13 137.59271 0.0 . 1 . . . A 97 G C8 . 25049 1 28 . 1 1 6 6 A H1' H 1 5.98832 0.0 . 1 . . . A 98 A H1' . 25049 1 29 . 1 1 6 6 A H2 H 1 7.985585 0.0 . 1 . . . A 98 A H2 . 25049 1 30 . 1 1 6 6 A H8 H 1 7.913465 0.0 . 1 . . . A 98 A H8 . 25049 1 31 . 1 1 6 6 A C1' C 13 89.21347 0.0 . 1 . . . A 98 A C1' . 25049 1 32 . 1 1 6 6 A C2 C 13 152.11711 0.0 . 1 . . . A 98 A C2 . 25049 1 33 . 1 1 6 6 A C8 C 13 137.32875 0.0 . 1 . . . A 98 A C8 . 25049 1 34 . 1 1 7 7 G H1' H 1 5.52807333333 0.0 . 1 . . . A 99 G H1' . 25049 1 35 . 1 1 7 7 G H8 H 1 7.3065 0.0 . 1 . . . A 99 G H8 . 25049 1 36 . 1 1 7 7 G C1' C 13 92.28477 0.0 . 1 . . . A 99 G C1' . 25049 1 37 . 1 1 8 8 G H8 H 1 7.77999 0.0 . 1 . . . A 100 G H8 . 25049 1 38 . 1 1 9 9 G H1' H 1 5.769915 0.0 . 1 . . . A 101 G H1' . 25049 1 39 . 1 1 9 9 G H8 H 1 7.19931 0.0 . 1 . . . A 101 G H8 . 25049 1 40 . 1 1 9 9 G C1' C 13 92.90923 0.0 . 1 . . . A 101 G C1' . 25049 1 41 . 1 1 9 9 G C8 C 13 136.254585714 0.0 . 1 . . . A 101 G C8 . 25049 1 42 . 1 1 10 10 U H5 H 1 5.48562 0.0 . 1 . . . A 102 U H5 . 25049 1 43 . 1 1 10 10 U H6 H 1 7.70198 0.0 . 1 . . . A 102 U H6 . 25049 1 44 . 1 1 10 10 U C5 C 13 101.56972 0.0 . 1 . . . A 102 U C5 . 25049 1 45 . 1 1 10 10 U C6 C 13 137.78871 0.0 . 1 . . . A 102 U C6 . 25049 1 46 . 1 1 11 11 C H6 H 1 7.86785666667 0.0 . 1 . . . A 103 C H6 . 25049 1 47 . 1 1 11 11 C C6 C 13 142.58846 0.0 . 1 . . . A 103 C C6 . 25049 1 48 . 1 1 12 12 U H5 H 1 5.66443 0.0 . 1 . . . A 104 U H5 . 25049 1 49 . 1 1 12 12 U H6 H 1 7.91112666667 0.0 . 1 . . . A 104 U H6 . 25049 1 50 . 1 1 12 12 U C6 C 13 138.898635 0.0 . 1 . . . A 104 U C6 . 25049 1 51 . 1 1 13 13 C H1' H 1 5.54629 0.0 . 1 . . . A 105 C H1' . 25049 1 52 . 1 1 13 13 C H5 H 1 5.6632575 0.0 . 1 . . . A 105 C H5 . 25049 1 53 . 1 1 13 13 C H6 H 1 7.98627 0.0 . 1 . . . A 105 C H6 . 25049 1 54 . 1 1 13 13 C C5 C 13 97.28049 0.0 . 1 . . . A 105 C C5 . 25049 1 55 . 1 1 13 13 C C6 C 13 142.58846 0.0 . 1 . . . A 105 C C6 . 25049 1 56 . 1 1 15 15 U H1' H 1 5.62615666667 0.0 . 1 . . . A 107 U H1' . 25049 1 57 . 1 1 15 15 U H5 H 1 5.762008 0.0 . 1 . . . A 107 U H5 . 25049 1 58 . 1 1 15 15 U H6 H 1 7.86787833333 0.0 . 1 . . . A 107 U H6 . 25049 1 59 . 1 1 15 15 U C1' C 13 80.62447 0.0 . 1 . . . A 107 U C1' . 25049 1 60 . 1 1 15 15 U C5 C 13 102.19418 0.0 . 1 . . . A 107 U C5 . 25049 1 61 . 1 1 15 15 U C6 C 13 139.99146 0.0 . 1 . . . A 107 U C6 . 25049 1 62 . 1 1 16 16 C H1' H 1 5.43489 0.0 . 1 . . . A 108 C H1' . 25049 1 63 . 1 1 16 16 C H2' H 1 3.91959 0.0 . 1 . . . A 108 C H2' . 25049 1 64 . 1 1 16 16 C H3' H 1 4.334615 0.0 . 1 . . . A 108 C H3' . 25049 1 65 . 1 1 16 16 C H4' H 1 4.14743 0.0 . 1 . . . A 108 C H4' . 25049 1 66 . 1 1 16 16 C H5 H 1 5.55108 0.0 . 1 . . . A 108 C H5 . 25049 1 67 . 1 1 16 16 C H6 H 1 7.658466 0.0 . 1 . . . A 108 C H6 . 25049 1 68 . 1 1 16 16 C C1' C 13 92.597 0.0 . 1 . . . A 108 C C1' . 25049 1 69 . 1 1 16 16 C C2' C 13 76.0315942857 0.0 . 1 . . . A 108 C C2' . 25049 1 70 . 1 1 16 16 C C3' C 13 73.5337 0.0 . 1 . . . A 108 C C3' . 25049 1 71 . 1 1 16 16 C C4' C 13 82.91779 0.0 . 1 . . . A 108 C C4' . 25049 1 72 . 1 1 16 16 C C5 C 13 97.28049 0.0 . 1 . . . A 108 C C5 . 25049 1 73 . 1 1 16 16 C C6 C 13 142.58846 0.0 . 1 . . . A 108 C C6 . 25049 1 74 . 1 1 17 17 U H1' H 1 5.56443368421 0.0 . 1 . . . A 109 U H1' . 25049 1 75 . 1 1 17 17 U H2' H 1 4.02364 0.0 . 1 . . . A 109 U H2' . 25049 1 76 . 1 1 17 17 U H3' H 1 4.43527769231 0.0 . 1 . . . A 109 U H3' . 25049 1 77 . 1 1 17 17 U H4' H 1 3.89735 0.0 . 1 . . . A 109 U H4' . 25049 1 78 . 1 1 17 17 U H5 H 1 5.46789 0.0 . 1 . . . A 109 U H5 . 25049 1 79 . 1 1 17 17 U H6 H 1 7.46752625 0.0 . 1 . . . A 109 U H6 . 25049 1 80 . 1 1 17 17 U C1' C 13 88.2164257143 0.0 . 1 . . . A 109 U C1' . 25049 1 81 . 1 1 17 17 U C2' C 13 75.6567822222 0.0 . 1 . . . A 109 U C2' . 25049 1 82 . 1 1 17 17 U C3' C 13 74.05903 0.0 . 1 . . . A 109 U C3' . 25049 1 83 . 1 1 17 17 U C5 C 13 102.506412 0.0 . 1 . . . A 109 U C5 . 25049 1 84 . 1 1 17 17 U C6 C 13 139.98286 0.0 . 1 . . . A 109 U C6 . 25049 1 85 . 1 1 18 18 G H1' H 1 5.63013 0.0 . 1 . . . A 110 G H1' . 25049 1 86 . 1 1 18 18 G H2' H 1 4.71709352941 0.0 . 1 . . . A 110 G H2' . 25049 1 87 . 1 1 18 18 G H3' H 1 4.41951 0.0 . 1 . . . A 110 G H3' . 25049 1 88 . 1 1 18 18 G H4' H 1 4.06784222222 0.0 . 1 . . . A 110 G H4' . 25049 1 89 . 1 1 18 18 G H8 H 1 7.784255 0.0 . 1 . . . A 110 G H8 . 25049 1 90 . 1 1 18 18 G C1' C 13 90.0991285714 0.0 . 1 . . . A 110 G C1' . 25049 1 91 . 1 1 18 18 G C2' C 13 75.875445 0.0 . 1 . . . A 110 G C2' . 25049 1 92 . 1 1 18 18 G C3' C 13 84.16672 0.0 . 1 . . . A 110 G C3' . 25049 1 93 . 1 1 18 18 G C4' C 13 87.60128 0.0 . 1 . . . A 110 G C4' . 25049 1 94 . 1 1 18 18 G C8 C 13 139.46613 0.0 . 1 . . . A 110 G C8 . 25049 1 95 . 1 1 19 19 A H1' H 1 5.95457666667 0.0 . 1 . . . A 111 A H1' . 25049 1 96 . 1 1 19 19 A H2 H 1 7.74352333333 0.0 . 1 . . . A 111 A H2 . 25049 1 97 . 1 1 19 19 A H8 H 1 8.24659 0.0 . 1 . . . A 111 A H8 . 25049 1 98 . 1 1 19 19 A C1' C 13 88.35735 0.0 . 1 . . . A 111 A C1' . 25049 1 99 . 1 1 19 19 A C2 C 13 151.4808 0.0 . 1 . . . A 111 A C2 . 25049 1 100 . 1 1 19 19 A C8 C 13 138.70088 0.0 . 1 . . . A 111 A C8 . 25049 1 101 . 1 1 20 20 G H1' H 1 5.62678 0.0 . 1 . . . A 112 G H1' . 25049 1 102 . 1 1 20 20 G H2' H 1 4.314033 0.0 . 1 . . . A 112 G H2' . 25049 1 103 . 1 1 20 20 G H3' H 1 4.50516777778 0.0 . 1 . . . A 112 G H3' . 25049 1 104 . 1 1 20 20 G H5' H 1 4.16626444444 0.0 . 2 . . . A 112 G H5' . 25049 1 105 . 1 1 20 20 G H5'' H 1 4.38856666667 0.0 . 2 . . . A 112 G H5'' . 25049 1 106 . 1 1 20 20 G H8 H 1 7.47084 0.0 . 1 . . . A 112 G H8 . 25049 1 107 . 1 1 20 20 G C1' C 13 92.597 0.0 . 1 . . . A 112 G C1' . 25049 1 108 . 1 1 20 20 G C2' C 13 73.84593 0.0 . 1 . . . A 112 G C2' . 25049 1 109 . 1 1 20 20 G C3' C 13 82.9177971429 0.0 . 1 . . . A 112 G C3' . 25049 1 110 . 1 1 20 20 G C5' C 13 66.97681 0.0 . 1 . . . A 112 G C5' . 25049 1 111 . 1 1 20 20 G C8 C 13 137.28049125 0.0 . 1 . . . A 112 G C8 . 25049 1 112 . 1 1 21 21 U H1' H 1 5.53850166667 0.0 . 1 . . . A 113 U H1' . 25049 1 113 . 1 1 21 21 U H5 H 1 5.25456777778 0.0 . 1 . . . A 113 U H5 . 25049 1 114 . 1 1 21 21 U H6 H 1 7.65017888889 0.0 . 1 . . . A 113 U H6 . 25049 1 115 . 1 1 21 21 U C1' C 13 90.9367 0.0 . 1 . . . A 113 U C1' . 25049 1 116 . 1 1 21 21 U C5 C 13 100.945258333 0.0 . 1 . . . A 113 U C5 . 25049 1 117 . 1 1 21 21 U C6 C 13 138.10094 0.0 . 1 . . . A 113 U C6 . 25049 1 118 . 1 1 22 22 G H1' H 1 5.834918 0.0 . 1 . . . A 114 G H1' . 25049 1 119 . 1 1 22 22 G H8 H 1 7.70095571429 0.0 . 1 . . . A 114 G H8 . 25049 1 120 . 1 1 22 22 G C1' C 13 92.28477 0.0 . 1 . . . A 114 G C1' . 25049 1 121 . 1 1 22 22 G C8 C 13 136.3438 0.0 . 1 . . . A 114 G C8 . 25049 1 122 . 1 1 23 23 A H1' H 1 5.86608 0.0 . 1 . . . A 115 A H1' . 25049 1 123 . 1 1 23 23 A H2 H 1 7.87557 0.0 . 1 . . . A 115 A H2 . 25049 1 124 . 1 1 23 23 A H8 H 1 7.57035 0.0 . 1 . . . A 115 A H8 . 25049 1 125 . 1 1 23 23 A C1' C 13 90.54239 0.0 . 1 . . . A 115 A C1' . 25049 1 126 . 1 1 23 23 A C2 C 13 151.03818 0.0 . 1 . . . A 115 A C2 . 25049 1 127 . 1 1 23 23 A C8 C 13 136.39948 0.0 . 1 . . . A 115 A C8 . 25049 1 128 . 1 1 24 24 U H1' H 1 5.022426 0.0 . 1 . . . A 116 U H1' . 25049 1 129 . 1 1 24 24 U H5 H 1 5.2178175 0.0 . 1 . . . A 116 U H5 . 25049 1 130 . 1 1 24 24 U H6 H 1 7.24942625 0.0 . 1 . . . A 116 U H6 . 25049 1 131 . 1 1 24 24 U C1' C 13 91.26601 0.0 . 1 . . . A 116 U C1' . 25049 1 132 . 1 1 24 24 U C5 C 13 101.257491429 0.0 . 1 . . . A 116 U C5 . 25049 1 133 . 1 1 24 24 U C6 C 13 137.476474 0.0 . 1 . . . A 116 U C6 . 25049 1 134 . 1 1 25 25 U H1' H 1 5.36995 0.0 . 1 . . . A 117 U H1' . 25049 1 135 . 1 1 25 25 U H5 H 1 5.56624875 0.0 . 1 . . . A 117 U H5 . 25049 1 136 . 1 1 25 25 U H6 H 1 7.77335888889 0.0 . 1 . . . A 117 U H6 . 25049 1 137 . 1 1 25 25 U C1' C 13 91.26601 0.0 . 1 . . . A 117 U C1' . 25049 1 138 . 1 1 25 25 U C5 C 13 101.25748 0.0 . 1 . . . A 117 U C5 . 25049 1 139 . 1 1 25 25 U C6 C 13 140.168496 0.0 . 1 . . . A 117 U C6 . 25049 1 140 . 1 1 26 26 G H1' H 1 5.74293 0.0 . 1 . . . A 118 G H1' . 25049 1 141 . 1 1 26 26 G H8 H 1 7.782265 0.0 . 1 . . . A 118 G H8 . 25049 1 142 . 1 1 26 26 G C1' C 13 90.7236 0.0 . 1 . . . A 118 G C1' . 25049 1 143 . 1 1 26 26 G C8 C 13 136.968268333 0.0 . 1 . . . A 118 G C8 . 25049 1 144 . 1 1 27 27 A H1' H 1 6.030555 0.0 . 1 . . . A 119 A H1' . 25049 1 145 . 1 1 27 27 A H2 H 1 7.95419 0.0 . 1 . . . A 119 A H2 . 25049 1 146 . 1 1 27 27 A H8 H 1 7.85738 0.0 . 1 . . . A 119 A H8 . 25049 1 147 . 1 1 27 27 A C2 C 13 152.12597 0.0 . 1 . . . A 119 A C2 . 25049 1 148 . 1 1 27 27 A C2' C 13 4.74587 0.0 . 1 . . . A 119 A C2' . 25049 1 149 . 1 1 27 27 A C8 C 13 134.027975 0.0 . 1 . . . A 119 A C8 . 25049 1 150 . 1 1 28 28 C H1' H 1 5.404055 0.0 . 1 . . . A 120 C H1' . 25049 1 151 . 1 1 28 28 C H5 H 1 5.13036 0.0 . 1 . . . A 120 C H5 . 25049 1 152 . 1 1 28 28 C H6 H 1 7.32826 0.0 . 1 . . . A 120 C H6 . 25049 1 153 . 1 1 28 28 C C1' C 13 94.15816 0.0 . 1 . . . A 120 C C1' . 25049 1 154 . 1 1 28 28 C C5 C 13 97.2805 0.0 . 1 . . . A 120 C C5 . 25049 1 155 . 1 1 28 28 C C6 C 13 140.71506 0.0 . 1 . . . A 120 C C6 . 25049 1 156 . 1 1 29 29 U H1' H 1 5.76404666667 0.0 . 1 . . . A 121 U H1' . 25049 1 157 . 1 1 29 29 U H5 H 1 5.564794 0.0 . 1 . . . A 121 U H5 . 25049 1 158 . 1 1 29 29 U H6 H 1 7.78405428571 0.0 . 1 . . . A 121 U H6 . 25049 1 159 . 1 1 29 29 U C1' C 13 96.10564 0.0 . 1 . . . A 121 U C1' . 25049 1 160 . 1 1 29 29 U C5 C 13 101.153403333 0.0 . 1 . . . A 121 U C5 . 25049 1 161 . 1 1 30 30 A H1' H 1 6.172795 0.0 . 1 . . . A 122 A H1' . 25049 1 162 . 1 1 30 30 A H2 H 1 8.22186 0.0 . 1 . . . A 122 A H2 . 25049 1 163 . 1 1 30 30 A H2' H 1 4.88621 0.0 . 1 . . . A 122 A H2' . 25049 1 164 . 1 1 30 30 A H3' H 1 4.82767 0.0 . 1 . . . A 122 A H3' . 25049 1 165 . 1 1 30 30 A H4' H 1 4.58932 0.0 . 1 . . . A 122 A H4' . 25049 1 166 . 1 1 30 30 A H5' H 1 4.3746 0.0 . 2 . . . A 122 A H5' . 25049 1 167 . 1 1 30 30 A H5'' H 1 4.27109 0.0 . 2 . . . A 122 A H5'' . 25049 1 168 . 1 1 30 30 A H8 H 1 8.40145 0.0 . 1 . . . A 122 A H8 . 25049 1 169 . 1 1 30 30 A C1' C 13 88.05576 0.0 . 1 . . . A 122 A C1' . 25049 1 170 . 1 1 30 30 A C2 C 13 152.86835 0.0 . 1 . . . A 122 A C2 . 25049 1 171 . 1 1 30 30 A C2' C 13 73.56992 0.0 . 1 . . . A 122 A C2' . 25049 1 172 . 1 1 30 30 A C3' C 13 73.02019 0.0 . 1 . . . A 122 A C3' . 25049 1 173 . 1 1 30 30 A C4' C 13 82.04434 0.0 . 1 . . . A 122 A C4' . 25049 1 174 . 1 1 30 30 A C5' C 13 64.60847 0.0 . 1 . . . A 122 A C5' . 25049 1 175 . 1 1 30 30 A C8 C 13 139.37634 0.0 . 1 . . . A 122 A C8 . 25049 1 176 . 1 1 31 31 C H1' H 1 5.3775 0.0 . 1 . . . A 123 C H1' . 25049 1 177 . 1 1 31 31 C H5 H 1 5.88157833333 0.0 . 1 . . . A 123 C H5 . 25049 1 178 . 1 1 31 31 C H6 H 1 7.96417 0.0 . 1 . . . A 123 C H6 . 25049 1 179 . 1 1 31 31 C C5 C 13 98.21719 0.0 . 1 . . . A 123 C C5 . 25049 1 180 . 1 1 31 31 C C6 C 13 142.58846 0.0 . 1 . . . A 123 C C6 . 25049 1 181 . 1 1 32 32 C H5 H 1 5.5426 0.0 . 1 . . . A 124 C H5 . 25049 1 182 . 1 1 32 32 C H6 H 1 7.874836 0.0 . 1 . . . A 124 C H6 . 25049 1 183 . 1 1 32 32 C C6 C 13 141.65175 0.0 . 1 . . . A 124 C C6 . 25049 1 184 . 1 1 33 33 C H1' H 1 5.50647 0.0 . 1 . . . A 125 C H1' . 25049 1 185 . 1 1 33 33 C H5 H 1 5.46444 0.0 . 1 . . . A 125 C H5 . 25049 1 186 . 1 1 33 33 C H6 H 1 7.75866 0.0 . 1 . . . A 125 C H6 . 25049 1 187 . 1 1 34 34 G H1' H 1 5.70929 0.0 . 1 . . . A 126 G H1' . 25049 1 188 . 1 1 34 34 G H8 H 1 7.4871975 0.0 . 1 . . . A 126 G H8 . 25049 1 189 . 1 1 34 34 G C8 C 13 136.3438 0.0 . 1 . . . A 126 G C8 . 25049 1 190 . 1 1 35 35 U H1' H 1 5.4006 0.0 . 1 . . . A 127 U H1' . 25049 1 191 . 1 1 35 35 U H5 H 1 5.411975 0.0 . 1 . . . A 127 U H5 . 25049 1 192 . 1 1 35 35 U H6 H 1 7.560596 0.0 . 1 . . . A 127 U H6 . 25049 1 193 . 1 1 35 35 U C1' C 13 91.26601 0.0 . 1 . . . A 127 U C1' . 25049 1 194 . 1 1 35 35 U C5 C 13 111.248915 0.0 . 1 . . . A 127 U C5 . 25049 1 195 . 1 1 35 35 U C6 C 13 138.41318 0.0 . 1 . . . A 127 U C6 . 25049 1 196 . 1 1 36 36 C H1' H 1 6.01922 0.0 . 1 . . . A 128 C H1' . 25049 1 197 . 1 1 36 36 C H5 H 1 6.01757666667 0.0 . 1 . . . A 128 C H5 . 25049 1 198 . 1 1 36 36 C H6 H 1 7.97277142857 0.0 . 1 . . . A 128 C H6 . 25049 1 199 . 1 1 36 36 C C5 C 13 99.46612 0.0 . 1 . . . A 128 C C5 . 25049 1 200 . 1 1 36 36 C C6 C 13 144.47894 0.0 . 1 . . . A 128 C C6 . 25049 1 201 . 1 1 37 37 A H1' H 1 5.88523 0.0 . 1 . . . A 129 A H1' . 25049 1 202 . 1 1 37 37 A H2 H 1 7.96448 0.0 . 1 . . . A 129 A H2 . 25049 1 203 . 1 1 37 37 A H8 H 1 8.14223 0.0 . 1 . . . A 129 A H8 . 25049 1 204 . 1 1 37 37 A C1' C 13 87.52675 0.0 . 1 . . . A 129 A C1' . 25049 1 205 . 1 1 37 37 A C2 C 13 152.65019 0.0 . 1 . . . A 129 A C2 . 25049 1 206 . 1 1 37 37 A C8 C 13 138.69763 0.0 . 1 . . . A 129 A C8 . 25049 1 207 . 1 1 38 38 G H1' H 1 5.93030428571 0.0 . 1 . . . A 130 G H1' . 25049 1 208 . 1 1 38 38 G H2' H 1 4.81990285714 0.0 . 1 . . . A 130 G H2' . 25049 1 209 . 1 1 38 38 G H3' H 1 5.29119285714 0.0 . 1 . . . A 130 G H3' . 25049 1 210 . 1 1 38 38 G H8 H 1 7.86955833333 0.0 . 1 . . . A 130 G H8 . 25049 1 211 . 1 1 38 38 G C1' C 13 93.5337 0.0 . 1 . . . A 130 G C1' . 25049 1 212 . 1 1 38 38 G C2' C 13 76.65603 0.0 . 1 . . . A 130 G C2' . 25049 1 213 . 1 1 38 38 G C3' C 13 76.03156 0.0 . 1 . . . A 130 G C3' . 25049 1 214 . 1 1 38 38 G C8 C 13 142.276205 0.0 . 1 . . . A 130 G C8 . 25049 1 215 . 1 1 39 39 C H5 H 1 5.99038 0.0 . 1 . . . A 131 C H5 . 25049 1 216 . 1 1 39 39 C H6 H 1 8.065525 0.0 . 1 . . . A 131 C H6 . 25049 1 217 . 1 1 39 39 C C5 C 13 99.15388 0.0 . 1 . . . A 131 C C5 . 25049 1 218 . 1 1 40 40 G H1' H 1 5.67691 0.0 . 1 . . . A 132 G H1' . 25049 1 219 . 1 1 40 40 G H8 H 1 7.61217666667 0.0 . 1 . . . A 132 G H8 . 25049 1 220 . 1 1 40 40 G C8 C 13 136.3438 0.0 . 1 . . . A 132 G C8 . 25049 1 221 . 1 1 41 41 G H1' H 1 5.7328 0.0 . 1 . . . A 133 G H1' . 25049 1 222 . 1 1 41 41 G H8 H 1 7.19787333333 0.0 . 1 . . . A 133 G H8 . 25049 1 223 . 1 1 41 41 G C8 C 13 135.71933 0.0 . 1 . . . A 133 G C8 . 25049 1 224 . 1 1 42 42 G H1' H 1 5.75087 0.0 . 1 . . . A 134 G H1' . 25049 1 225 . 1 1 42 42 G H8 H 1 7.02475166667 0.0 . 1 . . . A 134 G H8 . 25049 1 226 . 1 1 42 42 G C8 C 13 135.71933 0.0 . 1 . . . A 134 G C8 . 25049 1 227 . 1 1 43 43 G H1' H 1 5.70118 0.0 . 1 . . . A 135 G H1' . 25049 1 228 . 1 1 43 43 G H8 H 1 7.2913 0.0 . 1 . . . A 135 G H8 . 25049 1 229 . 1 1 43 43 G C8 C 13 136.65604 0.0 . 1 . . . A 135 G C8 . 25049 1 230 . 1 1 44 44 G H1' H 1 5.6097 0.0 . 1 . . . A 136 G H1' . 25049 1 231 . 1 1 44 44 G H2' H 1 4.42297666667 0.0 . 1 . . . A 136 G H2' . 25049 1 232 . 1 1 44 44 G H8 H 1 7.291105 0.0 . 1 . . . A 136 G H8 . 25049 1 233 . 1 1 44 44 G C2' C 13 84.16672 0.0 . 1 . . . A 136 G C2' . 25049 1 234 . 1 1 44 44 G C8 C 13 136.3438 0.0 . 1 . . . A 136 G C8 . 25049 1 235 . 1 1 45 45 U H5 H 1 5.058635 0.0 . 1 . . . A 137 U H5 . 25049 1 236 . 1 1 45 45 U H6 H 1 7.741245 0.0 . 1 . . . A 137 U H6 . 25049 1 237 . 1 1 45 45 U C5 C 13 99.69631 0.0 . 1 . . . A 137 U C5 . 25049 1 238 . 1 1 45 45 U C6 C 13 139.34987 0.0 . 1 . . . A 137 U C6 . 25049 1 239 . 1 1 46 46 C H1' H 1 5.59426666667 0.0 . 1 . . . A 138 C H1' . 25049 1 240 . 1 1 46 46 C C1' C 13 93.84593 0.0 . 1 . . . A 138 C C1' . 25049 1 241 . 1 1 47 47 U H1' H 1 5.53228142857 0.0 . 1 . . . A 139 U H1' . 25049 1 242 . 1 1 47 47 U H6 H 1 7.779898 0.0 . 1 . . . A 139 U H6 . 25049 1 243 . 1 1 47 47 U C1' C 13 91.57826 0.0 . 1 . . . A 139 U C1' . 25049 1 244 . 1 1 47 47 U C6 C 13 138.72542 0.0 . 1 . . . A 139 U C6 . 25049 1 245 . 1 1 48 48 U H1' H 1 5.35234444444 0.0 . 1 . . . A 140 U H1' . 25049 1 246 . 1 1 48 48 U H5 H 1 5.62432571429 0.0 . 1 . . . A 140 U H5 . 25049 1 247 . 1 1 48 48 U H6 H 1 7.864648 0.0 . 1 . . . A 140 U H6 . 25049 1 248 . 1 1 48 48 U C1' C 13 95.574848 0.0 . 1 . . . A 140 U C1' . 25049 1 249 . 1 1 48 48 U C5 C 13 100.633013333 0.0 . 1 . . . A 140 U C5 . 25049 1 250 . 1 1 48 48 U C6 C 13 140.5988 0.0 . 1 . . . A 140 U C6 . 25049 1 251 . 1 1 49 49 U H1' H 1 5.74614 0.0 . 1 . . . A 141 U H1' . 25049 1 252 . 1 1 49 49 U H5 H 1 5.798543 0.0 . 1 . . . A 141 U H5 . 25049 1 253 . 1 1 49 49 U H6 H 1 8.029811 0.0 . 1 . . . A 141 U H6 . 25049 1 254 . 1 1 49 49 U C1' C 13 90.01711 0.0 . 1 . . . A 141 U C1' . 25049 1 255 . 1 1 49 49 U C5 C 13 100.94525 0.0 . 1 . . . A 141 U C5 . 25049 1 256 . 1 1 49 49 U C6 C 13 140.5988 0.0 . 1 . . . A 141 U C6 . 25049 1 257 . 1 1 50 50 C H1' H 1 5.560582 0.0 . 1 . . . A 142 C H1' . 25049 1 258 . 1 1 50 50 C H5 H 1 5.713088 0.0 . 1 . . . A 142 C H5 . 25049 1 259 . 1 1 50 50 C H6 H 1 7.74510666667 0.0 . 1 . . . A 142 C H6 . 25049 1 260 . 1 1 50 50 C C1' C 13 94.15816 0.0 . 1 . . . A 142 C C1' . 25049 1 261 . 1 1 50 50 C C5 C 13 98.21719 0.0 . 1 . . . A 142 C C5 . 25049 1 262 . 1 1 50 50 C C6 C 13 141.9639925 0.0 . 1 . . . A 142 C C6 . 25049 1 263 . 1 1 51 51 A H1' H 1 5.93903 0.0 . 1 . . . A 143 A H1' . 25049 1 264 . 1 1 51 51 A H2 H 1 7.40083 0.0 . 1 . . . A 143 A H2 . 25049 1 265 . 1 1 51 51 A H8 H 1 8.02385 0.0 . 1 . . . A 143 A H8 . 25049 1 266 . 1 1 51 51 A C1' C 13 90.52962 0.0 . 1 . . . A 143 A C1' . 25049 1 267 . 1 1 51 51 A C2 C 13 150.72108 0.0 . 1 . . . A 143 A C2 . 25049 1 268 . 1 1 51 51 A C8 C 13 137.00296 0.0 . 1 . . . A 143 A C8 . 25049 1 269 . 1 1 52 52 U H1' H 1 5.410585 0.0 . 1 . . . A 144 U H1' . 25049 1 270 . 1 1 52 52 U H2' H 1 4.08326 0.0 . 1 . . . A 144 U H2' . 25049 1 271 . 1 1 52 52 U H5 H 1 5.40721125 0.0 . 1 . . . A 144 U H5 . 25049 1 272 . 1 1 52 52 U H6 H 1 7.55867444444 0.0 . 1 . . . A 144 U H6 . 25049 1 273 . 1 1 52 52 U C1' C 13 90.32934 0.0 . 1 . . . A 144 U C1' . 25049 1 274 . 1 1 52 52 U C5 C 13 110.312224 0.0 . 1 . . . A 144 U C5 . 25049 1 275 . 1 1 52 52 U C6 C 13 138.10094 0.0 . 1 . . . A 144 U C6 . 25049 1 276 . 1 1 53 53 U H1' H 1 5.86488888889 0.0 . 1 . . . A 145 U H1' . 25049 1 277 . 1 1 53 53 U H5 H 1 5.56659 0.0 . 1 . . . A 145 U H5 . 25049 1 278 . 1 1 53 53 U H6 H 1 7.79296666667 0.0 . 1 . . . A 145 U H6 . 25049 1 279 . 1 1 53 53 U C1' C 13 89.0633 0.0 . 1 . . . A 145 U C1' . 25049 1 280 . 1 1 53 53 U C5 C 13 101.5697 0.0 . 1 . . . A 145 U C5 . 25049 1 281 . 1 1 53 53 U C6 C 13 140.59879 0.0 . 1 . . . A 145 U C6 . 25049 1 282 . 1 1 54 54 U H1' H 1 5.62684285714 0.0 . 1 . . . A 146 U H1' . 25049 1 283 . 1 1 54 54 U H5 H 1 5.76193571429 0.0 . 1 . . . A 146 U H5 . 25049 1 284 . 1 1 54 54 U H6 H 1 7.865428 0.0 . 1 . . . A 146 U H6 . 25049 1 285 . 1 1 54 54 U C1' C 13 90.62447 0.0 . 1 . . . A 146 U C1' . 25049 1 286 . 1 1 54 54 U C5 C 13 101.56972 0.0 . 1 . . . A 146 U C5 . 25049 1 287 . 1 1 54 54 U C6 C 13 138.632733333 0.0 . 1 . . . A 146 U C6 . 25049 1 288 . 1 1 55 55 G H1' H 1 5.79365 0.0 . 1 . . . A 147 G H1' . 25049 1 289 . 1 1 55 55 G H8 H 1 7.80713333333 0.0 . 1 . . . A 147 G H8 . 25049 1 290 . 1 1 55 55 G C1' C 13 91.97253 0.0 . 1 . . . A 147 G C1' . 25049 1 291 . 1 1 55 55 G C8 C 13 136.96826 0.0 . 1 . . . A 147 G C8 . 25049 1 292 . 1 1 56 56 G H1' H 1 5.857215 0.0 . 1 . . . A 148 G H1' . 25049 1 293 . 1 1 56 56 G H8 H 1 7.31548555556 0.0 . 1 . . . A 148 G H8 . 25049 1 294 . 1 1 56 56 G C8 C 13 136.65604 0.0 . 1 . . . A 148 G C8 . 25049 1 295 . 1 1 57 57 G H1' H 1 5.810445 0.0 . 1 . . . A 149 G H1' . 25049 1 296 . 1 1 57 57 G H8 H 1 7.16226571429 0.0 . 1 . . . A 149 G H8 . 25049 1 297 . 1 1 57 57 G C8 C 13 136.65604 0.0 . 1 . . . A 149 G C8 . 25049 1 298 . 1 1 58 58 G H1' H 1 5.8167 0.0 . 1 . . . A 150 G H1' . 25049 1 299 . 1 1 58 58 G H8 H 1 7.2999475 0.0 . 1 . . . A 150 G H8 . 25049 1 300 . 1 1 58 58 G C8 C 13 136.3438 0.0 . 1 . . . A 150 G C8 . 25049 1 301 . 1 1 59 59 G H1' H 1 5.77131 0.0 . 1 . . . A 151 G H1' . 25049 1 302 . 1 1 59 59 G H8 H 1 7.197716 0.0 . 1 . . . A 151 G H8 . 25049 1 303 . 1 1 59 59 G C8 C 13 136.65604 0.0 . 1 . . . A 151 G C8 . 25049 1 304 . 1 1 60 60 C H1' H 1 5.552165 0.0 . 1 . . . A 152 C H1' . 25049 1 305 . 1 1 60 60 C H5 H 1 5.29592 0.0 . 1 . . . A 152 C H5 . 25049 1 306 . 1 1 60 60 C H6 H 1 7.58074 0.0 . 1 . . . A 152 C H6 . 25049 1 307 . 1 1 60 60 C C5 C 13 97.28049 0.0 . 1 . . . A 152 C C5 . 25049 1 308 . 1 1 60 60 C C6 C 13 140.71506 0.0 . 1 . . . A 152 C C6 . 25049 1 309 . 1 1 61 61 U H5 H 1 5.76191333333 0.0 . 1 . . . A 153 U H5 . 25049 1 310 . 1 1 61 61 U H6 H 1 7.86975666667 0.0 . 1 . . . A 153 U H6 . 25049 1 311 . 1 1 61 61 U C5 C 13 101.8819125 0.0 . 1 . . . A 153 U C5 . 25049 1 312 . 1 1 61 61 U C6 C 13 140.297993333 0.0 . 1 . . . A 153 U C6 . 25049 1 313 . 1 1 62 62 C H1' H 1 5.74982 0.0 . 1 . . . A 154 C H1' . 25049 1 314 . 1 1 62 62 C H6 H 1 7.76876 0.0 . 1 . . . A 154 C H6 . 25049 1 315 . 1 1 63 63 G H1' H 1 5.76267 0.0 . 1 . . . A 155 G H1' . 25049 1 316 . 1 1 63 63 G H3' H 1 4.790385 0.0 . 1 . . . A 155 G H3' . 25049 1 317 . 1 1 63 63 G H8 H 1 7.997162 0.0 . 1 . . . A 155 G H8 . 25049 1 318 . 1 1 63 63 G C1' C 13 89.16244 0.0 . 1 . . . A 155 G C1' . 25049 1 319 . 1 1 63 63 G C3' C 13 77.28049 0.0 . 1 . . . A 155 G C3' . 25049 1 320 . 1 1 63 63 G C8 C 13 139.77835 0.0 . 1 . . . A 155 G C8 . 25049 1 321 . 1 1 64 64 U H1' H 1 5.686725 0.0 . 1 . . . A 156 U H1' . 25049 1 322 . 1 1 64 64 U H5 H 1 5.29344 0.0 . 1 . . . A 156 U H5 . 25049 1 323 . 1 1 64 64 U H6 H 1 7.67817 0.0 . 1 . . . A 156 U H6 . 25049 1 324 . 1 1 64 64 U C1' C 13 89.37553 0.0 . 1 . . . A 156 U C1' . 25049 1 325 . 1 1 64 64 U C6 C 13 139.05475 0.0 . 1 . . . A 156 U C6 . 25049 1 326 . 1 1 65 65 G H1' H 1 5.67405 0.0 . 1 . . . A 157 G H1' . 25049 1 327 . 1 1 65 65 G H8 H 1 7.98550166667 0.0 . 1 . . . A 157 G H8 . 25049 1 328 . 1 1 65 65 G C8 C 13 137.59271 0.0 . 1 . . . A 157 G C8 . 25049 1 329 . 1 1 66 66 C H1' H 1 5.68251 0.0 . 1 . . . A 158 C H1' . 25049 1 330 . 1 1 66 66 C H5 H 1 5.25082 0.0 . 1 . . . A 158 C H5 . 25049 1 331 . 1 1 66 66 C H6 H 1 7.73513 0.0 . 1 . . . A 158 C H6 . 25049 1 332 . 1 1 66 66 C C5 C 13 96.65603 0.0 . 1 . . . A 158 C C5 . 25049 1 333 . 1 1 66 66 C C6 C 13 141.33952 0.0 . 1 . . . A 158 C C6 . 25049 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25049 _Assigned_chem_shift_list.ID 2 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' . . . 25049 2 2 '2D 1H-1H NOESYin H2O' . . . 25049 2 3 '2D 1H-1H NOESYin D2O' . . . 25049 2 4 '3D 1H-13C NOESY' . . . 25049 2 5 '2D 1H-15N HSQC' . . . 25049 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 5.84074727273 0.0 . 1 . . . A 93 G H1' . 25049 2 2 . 1 1 1 1 G H2' H 1 4.92399272727 0.0 . 1 . . . A 93 G H2' . 25049 2 3 . 1 1 1 1 G H3' H 1 4.56481 0.0 . 1 . . . A 93 G H3' . 25049 2 4 . 1 1 1 1 G H4' H 1 4.565196 0.0 . 1 . . . A 93 G H4' . 25049 2 5 . 1 1 1 1 G H5' H 1 4.27971 0.0 . 2 . . . A 93 G H5' . 25049 2 6 . 1 1 1 1 G H5'' H 1 4.4264275 0.0 . 2 . . . A 93 G H5'' . 25049 2 7 . 1 1 1 1 G H8 H 1 8.14055454545 0.0 . 1 . . . A 93 G H8 . 25049 2 8 . 1 1 1 1 G C1' C 13 91.03584 0.0 . 1 . . . A 93 G C1' . 25049 2 9 . 1 1 1 1 G C2' C 13 74.78263 0.0 . 1 . . . A 93 G C2' . 25049 2 10 . 1 1 1 1 G C4' C 13 83.54225 0.0 . 1 . . . A 93 G C4' . 25049 2 11 . 1 1 1 1 G C5' C 13 67.28905 0.0 . 1 . . . A 93 G C5' . 25049 2 12 . 1 1 1 1 G C8 C 13 139.15388 0.0 . 1 . . . A 93 G C8 . 25049 2 13 . 1 1 2 2 G H1' H 1 5.933185 0.0 . 1 . . . A 94 G H1' . 25049 2 14 . 1 1 2 2 G H8 H 1 7.57025333333 0.0 . 1 . . . A 94 G H8 . 25049 2 15 . 1 1 2 2 G C8 C 13 136.96826 0.0 . 1 . . . A 94 G C8 . 25049 2 16 . 1 1 3 3 G H1' H 1 5.80164 0.0 . 1 . . . A 95 G H1' . 25049 2 17 . 1 1 3 3 G H8 H 1 7.27277428571 0.0 . 1 . . . A 95 G H8 . 25049 2 18 . 1 1 3 3 G C8 C 13 136.03156 0.0 . 1 . . . A 95 G C8 . 25049 2 19 . 1 1 4 4 C H1' H 1 5.54578 0.0 . 1 . . . A 96 C H1' . 25049 2 20 . 1 1 4 4 C H5 H 1 5.192855 0.0 . 1 . . . A 96 C H5 . 25049 2 21 . 1 1 4 4 C H6 H 1 7.42615 0.0 . 1 . . . A 96 C H6 . 25049 2 22 . 1 1 4 4 C C5 C 13 97.592715 0.0 . 1 . . . A 96 C C5 . 25049 2 23 . 1 1 4 4 C C6 C 13 140.402816667 0.0 . 1 . . . A 96 C C6 . 25049 2 24 . 1 1 5 5 G H1' H 1 5.718052 0.0 . 1 . . . A 97 G H1' . 25049 2 25 . 1 1 5 5 G H8 H 1 7.5683525 0.0 . 1 . . . A 97 G H8 . 25049 2 26 . 1 1 5 5 G C1' C 13 92.90923 0.0 . 1 . . . A 97 G C1' . 25049 2 27 . 1 1 5 5 G C8 C 13 137.59271 0.0 . 1 . . . A 97 G C8 . 25049 2 28 . 1 1 6 6 A H1' H 1 5.98832 0.0 . 1 . . . A 98 A H1' . 25049 2 29 . 1 1 6 6 A H2 H 1 7.985585 0.0 . 1 . . . A 98 A H2 . 25049 2 30 . 1 1 6 6 A H8 H 1 7.913465 0.0 . 1 . . . A 98 A H8 . 25049 2 31 . 1 1 6 6 A C1' C 13 89.21347 0.0 . 1 . . . A 98 A C1' . 25049 2 32 . 1 1 6 6 A C2 C 13 152.11711 0.0 . 1 . . . A 98 A C2 . 25049 2 33 . 1 1 6 6 A C8 C 13 137.32875 0.0 . 1 . . . A 98 A C8 . 25049 2 34 . 1 1 7 7 G H1' H 1 5.52807333333 0.0 . 1 . . . A 99 G H1' . 25049 2 35 . 1 1 7 7 G H8 H 1 7.3065 0.0 . 1 . . . A 99 G H8 . 25049 2 36 . 1 1 7 7 G C1' C 13 92.28477 0.0 . 1 . . . A 99 G C1' . 25049 2 37 . 1 1 8 8 G H8 H 1 7.77999 0.0 . 1 . . . A 100 G H8 . 25049 2 38 . 1 1 9 9 G H1' H 1 5.769915 0.0 . 1 . . . A 101 G H1' . 25049 2 39 . 1 1 9 9 G H8 H 1 7.19931 0.0 . 1 . . . A 101 G H8 . 25049 2 40 . 1 1 9 9 G C1' C 13 92.90923 0.0 . 1 . . . A 101 G C1' . 25049 2 41 . 1 1 9 9 G C8 C 13 136.254585714 0.0 . 1 . . . A 101 G C8 . 25049 2 42 . 1 1 10 10 U H5 H 1 5.48562 0.0 . 1 . . . A 102 U H5 . 25049 2 43 . 1 1 10 10 U H6 H 1 7.70198 0.0 . 1 . . . A 102 U H6 . 25049 2 44 . 1 1 10 10 U C5 C 13 101.56972 0.0 . 1 . . . A 102 U C5 . 25049 2 45 . 1 1 10 10 U C6 C 13 137.78871 0.0 . 1 . . . A 102 U C6 . 25049 2 46 . 1 1 11 11 C H6 H 1 7.86785666667 0.0 . 1 . . . A 103 C H6 . 25049 2 47 . 1 1 11 11 C C6 C 13 142.58846 0.0 . 1 . . . A 103 C C6 . 25049 2 48 . 1 1 12 12 U H5 H 1 5.66443 0.0 . 1 . . . A 104 U H5 . 25049 2 49 . 1 1 12 12 U H6 H 1 7.91112666667 0.0 . 1 . . . A 104 U H6 . 25049 2 50 . 1 1 12 12 U C6 C 13 138.898635 0.0 . 1 . . . A 104 U C6 . 25049 2 51 . 1 1 13 13 C H1' H 1 5.54629 0.0 . 1 . . . A 105 C H1' . 25049 2 52 . 1 1 13 13 C H5 H 1 5.6632575 0.0 . 1 . . . A 105 C H5 . 25049 2 53 . 1 1 13 13 C H6 H 1 7.98627 0.0 . 1 . . . A 105 C H6 . 25049 2 54 . 1 1 13 13 C C5 C 13 97.28049 0.0 . 1 . . . A 105 C C5 . 25049 2 55 . 1 1 13 13 C C6 C 13 142.58846 0.0 . 1 . . . A 105 C C6 . 25049 2 56 . 1 1 15 15 U H1' H 1 5.62615666667 0.0 . 1 . . . A 107 U H1' . 25049 2 57 . 1 1 15 15 U H5 H 1 5.762008 0.0 . 1 . . . A 107 U H5 . 25049 2 58 . 1 1 15 15 U H6 H 1 7.86787833333 0.0 . 1 . . . A 107 U H6 . 25049 2 59 . 1 1 15 15 U C1' C 13 80.62447 0.0 . 1 . . . A 107 U C1' . 25049 2 60 . 1 1 15 15 U C5 C 13 102.19418 0.0 . 1 . . . A 107 U C5 . 25049 2 61 . 1 1 15 15 U C6 C 13 139.99146 0.0 . 1 . . . A 107 U C6 . 25049 2 62 . 1 1 16 16 C H1' H 1 5.43489 0.0 . 1 . . . A 108 C H1' . 25049 2 63 . 1 1 16 16 C H2' H 1 3.91959 0.0 . 1 . . . A 108 C H2' . 25049 2 64 . 1 1 16 16 C H3' H 1 4.334615 0.0 . 1 . . . A 108 C H3' . 25049 2 65 . 1 1 16 16 C H4' H 1 4.14743 0.0 . 1 . . . A 108 C H4' . 25049 2 66 . 1 1 16 16 C H5 H 1 5.55108 0.0 . 1 . . . A 108 C H5 . 25049 2 67 . 1 1 16 16 C H6 H 1 7.658466 0.0 . 1 . . . A 108 C H6 . 25049 2 68 . 1 1 16 16 C C1' C 13 92.597 0.0 . 1 . . . A 108 C C1' . 25049 2 69 . 1 1 16 16 C C2' C 13 76.0315942857 0.0 . 1 . . . A 108 C C2' . 25049 2 70 . 1 1 16 16 C C3' C 13 73.5337 0.0 . 1 . . . A 108 C C3' . 25049 2 71 . 1 1 16 16 C C4' C 13 82.91779 0.0 . 1 . . . A 108 C C4' . 25049 2 72 . 1 1 16 16 C C5 C 13 97.28049 0.0 . 1 . . . A 108 C C5 . 25049 2 73 . 1 1 16 16 C C6 C 13 142.58846 0.0 . 1 . . . A 108 C C6 . 25049 2 74 . 1 1 17 17 U H1' H 1 5.56443368421 0.0 . 1 . . . A 109 U H1' . 25049 2 75 . 1 1 17 17 U H2' H 1 4.02364 0.0 . 1 . . . A 109 U H2' . 25049 2 76 . 1 1 17 17 U H3' H 1 4.43527769231 0.0 . 1 . . . A 109 U H3' . 25049 2 77 . 1 1 17 17 U H4' H 1 3.89735 0.0 . 1 . . . A 109 U H4' . 25049 2 78 . 1 1 17 17 U H5 H 1 5.46789 0.0 . 1 . . . A 109 U H5 . 25049 2 79 . 1 1 17 17 U H6 H 1 7.46752625 0.0 . 1 . . . A 109 U H6 . 25049 2 80 . 1 1 17 17 U C1' C 13 88.2164257143 0.0 . 1 . . . A 109 U C1' . 25049 2 81 . 1 1 17 17 U C2' C 13 75.6567822222 0.0 . 1 . . . A 109 U C2' . 25049 2 82 . 1 1 17 17 U C3' C 13 74.05903 0.0 . 1 . . . A 109 U C3' . 25049 2 83 . 1 1 17 17 U C5 C 13 102.506412 0.0 . 1 . . . A 109 U C5 . 25049 2 84 . 1 1 17 17 U C6 C 13 139.98286 0.0 . 1 . . . A 109 U C6 . 25049 2 85 . 1 1 18 18 G H1' H 1 5.63013 0.0 . 1 . . . A 110 G H1' . 25049 2 86 . 1 1 18 18 G H2' H 1 4.71709352941 0.0 . 1 . . . A 110 G H2' . 25049 2 87 . 1 1 18 18 G H3' H 1 4.41951 0.0 . 1 . . . A 110 G H3' . 25049 2 88 . 1 1 18 18 G H4' H 1 4.06784222222 0.0 . 1 . . . A 110 G H4' . 25049 2 89 . 1 1 18 18 G H8 H 1 7.784255 0.0 . 1 . . . A 110 G H8 . 25049 2 90 . 1 1 18 18 G C1' C 13 90.0991285714 0.0 . 1 . . . A 110 G C1' . 25049 2 91 . 1 1 18 18 G C2' C 13 75.875445 0.0 . 1 . . . A 110 G C2' . 25049 2 92 . 1 1 18 18 G C3' C 13 84.16672 0.0 . 1 . . . A 110 G C3' . 25049 2 93 . 1 1 18 18 G C4' C 13 87.60128 0.0 . 1 . . . A 110 G C4' . 25049 2 94 . 1 1 18 18 G C8 C 13 139.46613 0.0 . 1 . . . A 110 G C8 . 25049 2 95 . 1 1 19 19 A H1' H 1 5.95457666667 0.0 . 1 . . . A 111 A H1' . 25049 2 96 . 1 1 19 19 A H2 H 1 7.74352333333 0.0 . 1 . . . A 111 A H2 . 25049 2 97 . 1 1 19 19 A H8 H 1 8.24659 0.0 . 1 . . . A 111 A H8 . 25049 2 98 . 1 1 19 19 A C1' C 13 88.35735 0.0 . 1 . . . A 111 A C1' . 25049 2 99 . 1 1 19 19 A C2 C 13 151.4808 0.0 . 1 . . . A 111 A C2 . 25049 2 100 . 1 1 19 19 A C8 C 13 138.70088 0.0 . 1 . . . A 111 A C8 . 25049 2 101 . 1 1 20 20 G H1' H 1 5.62678 0.0 . 1 . . . A 112 G H1' . 25049 2 102 . 1 1 20 20 G H2' H 1 4.314033 0.0 . 1 . . . A 112 G H2' . 25049 2 103 . 1 1 20 20 G H3' H 1 4.50516777778 0.0 . 1 . . . A 112 G H3' . 25049 2 104 . 1 1 20 20 G H5' H 1 4.16626444444 0.0 . 2 . . . A 112 G H5' . 25049 2 105 . 1 1 20 20 G H5'' H 1 4.38856666667 0.0 . 2 . . . A 112 G H5'' . 25049 2 106 . 1 1 20 20 G H8 H 1 7.47084 0.0 . 1 . . . A 112 G H8 . 25049 2 107 . 1 1 20 20 G C1' C 13 92.597 0.0 . 1 . . . A 112 G C1' . 25049 2 108 . 1 1 20 20 G C2' C 13 73.84593 0.0 . 1 . . . A 112 G C2' . 25049 2 109 . 1 1 20 20 G C3' C 13 82.9177971429 0.0 . 1 . . . A 112 G C3' . 25049 2 110 . 1 1 20 20 G C5' C 13 66.97681 0.0 . 1 . . . A 112 G C5' . 25049 2 111 . 1 1 20 20 G C8 C 13 137.28049125 0.0 . 1 . . . A 112 G C8 . 25049 2 112 . 1 1 21 21 U H1' H 1 5.53850166667 0.0 . 1 . . . A 113 U H1' . 25049 2 113 . 1 1 21 21 U H5 H 1 5.25456777778 0.0 . 1 . . . A 113 U H5 . 25049 2 114 . 1 1 21 21 U H6 H 1 7.65017888889 0.0 . 1 . . . A 113 U H6 . 25049 2 115 . 1 1 21 21 U C1' C 13 90.9367 0.0 . 1 . . . A 113 U C1' . 25049 2 116 . 1 1 21 21 U C5 C 13 100.945258333 0.0 . 1 . . . A 113 U C5 . 25049 2 117 . 1 1 21 21 U C6 C 13 138.10094 0.0 . 1 . . . A 113 U C6 . 25049 2 118 . 1 1 22 22 G H1' H 1 5.834918 0.0 . 1 . . . A 114 G H1' . 25049 2 119 . 1 1 22 22 G H8 H 1 7.70095571429 0.0 . 1 . . . A 114 G H8 . 25049 2 120 . 1 1 22 22 G C1' C 13 92.28477 0.0 . 1 . . . A 114 G C1' . 25049 2 121 . 1 1 22 22 G C8 C 13 136.3438 0.0 . 1 . . . A 114 G C8 . 25049 2 122 . 1 1 23 23 A H1' H 1 5.86608 0.0 . 1 . . . A 115 A H1' . 25049 2 123 . 1 1 23 23 A H2 H 1 7.87557 0.0 . 1 . . . A 115 A H2 . 25049 2 124 . 1 1 23 23 A H8 H 1 7.57035 0.0 . 1 . . . A 115 A H8 . 25049 2 125 . 1 1 23 23 A C1' C 13 90.54239 0.0 . 1 . . . A 115 A C1' . 25049 2 126 . 1 1 23 23 A C2 C 13 151.03818 0.0 . 1 . . . A 115 A C2 . 25049 2 127 . 1 1 23 23 A C8 C 13 136.39948 0.0 . 1 . . . A 115 A C8 . 25049 2 128 . 1 1 24 24 U H1' H 1 5.022426 0.0 . 1 . . . A 116 U H1' . 25049 2 129 . 1 1 24 24 U H5 H 1 5.2178175 0.0 . 1 . . . A 116 U H5 . 25049 2 130 . 1 1 24 24 U H6 H 1 7.24942625 0.0 . 1 . . . A 116 U H6 . 25049 2 131 . 1 1 24 24 U C1' C 13 91.26601 0.0 . 1 . . . A 116 U C1' . 25049 2 132 . 1 1 24 24 U C5 C 13 101.257491429 0.0 . 1 . . . A 116 U C5 . 25049 2 133 . 1 1 24 24 U C6 C 13 137.476474 0.0 . 1 . . . A 116 U C6 . 25049 2 134 . 1 1 25 25 U H1' H 1 5.36995 0.0 . 1 . . . A 117 U H1' . 25049 2 135 . 1 1 25 25 U H5 H 1 5.56624875 0.0 . 1 . . . A 117 U H5 . 25049 2 136 . 1 1 25 25 U H6 H 1 7.77335888889 0.0 . 1 . . . A 117 U H6 . 25049 2 137 . 1 1 25 25 U C1' C 13 91.26601 0.0 . 1 . . . A 117 U C1' . 25049 2 138 . 1 1 25 25 U C5 C 13 101.25748 0.0 . 1 . . . A 117 U C5 . 25049 2 139 . 1 1 25 25 U C6 C 13 140.168496 0.0 . 1 . . . A 117 U C6 . 25049 2 140 . 1 1 26 26 G H1' H 1 5.74293 0.0 . 1 . . . A 118 G H1' . 25049 2 141 . 1 1 26 26 G H8 H 1 7.782265 0.0 . 1 . . . A 118 G H8 . 25049 2 142 . 1 1 26 26 G C1' C 13 90.7236 0.0 . 1 . . . A 118 G C1' . 25049 2 143 . 1 1 26 26 G C8 C 13 136.968268333 0.0 . 1 . . . A 118 G C8 . 25049 2 144 . 1 1 27 27 A H1' H 1 6.030555 0.0 . 1 . . . A 119 A H1' . 25049 2 145 . 1 1 27 27 A H2 H 1 7.95419 0.0 . 1 . . . A 119 A H2 . 25049 2 146 . 1 1 27 27 A H8 H 1 7.85738 0.0 . 1 . . . A 119 A H8 . 25049 2 147 . 1 1 27 27 A C2 C 13 152.12597 0.0 . 1 . . . A 119 A C2 . 25049 2 148 . 1 1 27 27 A C2' C 13 4.74587 0.0 . 1 . . . A 119 A C2' . 25049 2 149 . 1 1 27 27 A C8 C 13 134.027975 0.0 . 1 . . . A 119 A C8 . 25049 2 150 . 1 1 28 28 C H1' H 1 5.404055 0.0 . 1 . . . A 120 C H1' . 25049 2 151 . 1 1 28 28 C H5 H 1 5.13036 0.0 . 1 . . . A 120 C H5 . 25049 2 152 . 1 1 28 28 C H6 H 1 7.32826 0.0 . 1 . . . A 120 C H6 . 25049 2 153 . 1 1 28 28 C C1' C 13 94.15816 0.0 . 1 . . . A 120 C C1' . 25049 2 154 . 1 1 28 28 C C5 C 13 97.2805 0.0 . 1 . . . A 120 C C5 . 25049 2 155 . 1 1 28 28 C C6 C 13 140.71506 0.0 . 1 . . . A 120 C C6 . 25049 2 156 . 1 1 29 29 U H1' H 1 5.76404666667 0.0 . 1 . . . A 121 U H1' . 25049 2 157 . 1 1 29 29 U H5 H 1 5.564794 0.0 . 1 . . . A 121 U H5 . 25049 2 158 . 1 1 29 29 U H6 H 1 7.78405428571 0.0 . 1 . . . A 121 U H6 . 25049 2 159 . 1 1 29 29 U C1' C 13 96.10564 0.0 . 1 . . . A 121 U C1' . 25049 2 160 . 1 1 29 29 U C5 C 13 101.153403333 0.0 . 1 . . . A 121 U C5 . 25049 2 161 . 1 1 30 30 A H1' H 1 6.172795 0.0 . 1 . . . A 122 A H1' . 25049 2 162 . 1 1 30 30 A H2 H 1 8.22186 0.0 . 1 . . . A 122 A H2 . 25049 2 163 . 1 1 30 30 A H2' H 1 4.88621 0.0 . 1 . . . A 122 A H2' . 25049 2 164 . 1 1 30 30 A H3' H 1 4.82767 0.0 . 1 . . . A 122 A H3' . 25049 2 165 . 1 1 30 30 A H4' H 1 4.58932 0.0 . 1 . . . A 122 A H4' . 25049 2 166 . 1 1 30 30 A H5' H 1 4.3746 0.0 . 2 . . . A 122 A H5' . 25049 2 167 . 1 1 30 30 A H5'' H 1 4.27109 0.0 . 2 . . . A 122 A H5'' . 25049 2 168 . 1 1 30 30 A H8 H 1 8.40145 0.0 . 1 . . . A 122 A H8 . 25049 2 169 . 1 1 30 30 A C1' C 13 88.05576 0.0 . 1 . . . A 122 A C1' . 25049 2 170 . 1 1 30 30 A C2 C 13 152.86835 0.0 . 1 . . . A 122 A C2 . 25049 2 171 . 1 1 30 30 A C2' C 13 73.56992 0.0 . 1 . . . A 122 A C2' . 25049 2 172 . 1 1 30 30 A C3' C 13 73.02019 0.0 . 1 . . . A 122 A C3' . 25049 2 173 . 1 1 30 30 A C4' C 13 82.04434 0.0 . 1 . . . A 122 A C4' . 25049 2 174 . 1 1 30 30 A C5' C 13 64.60847 0.0 . 1 . . . A 122 A C5' . 25049 2 175 . 1 1 30 30 A C8 C 13 139.37634 0.0 . 1 . . . A 122 A C8 . 25049 2 176 . 1 1 31 31 C H1' H 1 5.3775 0.0 . 1 . . . A 123 C H1' . 25049 2 177 . 1 1 31 31 C H5 H 1 5.88157833333 0.0 . 1 . . . A 123 C H5 . 25049 2 178 . 1 1 31 31 C H6 H 1 7.96417 0.0 . 1 . . . A 123 C H6 . 25049 2 179 . 1 1 31 31 C C5 C 13 98.21719 0.0 . 1 . . . A 123 C C5 . 25049 2 180 . 1 1 31 31 C C6 C 13 142.58846 0.0 . 1 . . . A 123 C C6 . 25049 2 181 . 1 1 32 32 C H5 H 1 5.5426 0.0 . 1 . . . A 124 C H5 . 25049 2 182 . 1 1 32 32 C H6 H 1 7.874836 0.0 . 1 . . . A 124 C H6 . 25049 2 183 . 1 1 32 32 C C6 C 13 141.65175 0.0 . 1 . . . A 124 C C6 . 25049 2 184 . 1 1 33 33 C H1' H 1 5.50647 0.0 . 1 . . . A 125 C H1' . 25049 2 185 . 1 1 33 33 C H5 H 1 5.46444 0.0 . 1 . . . A 125 C H5 . 25049 2 186 . 1 1 33 33 C H6 H 1 7.75866 0.0 . 1 . . . A 125 C H6 . 25049 2 187 . 1 1 34 34 G H1' H 1 5.70929 0.0 . 1 . . . A 126 G H1' . 25049 2 188 . 1 1 34 34 G H8 H 1 7.4871975 0.0 . 1 . . . A 126 G H8 . 25049 2 189 . 1 1 34 34 G C8 C 13 136.3438 0.0 . 1 . . . A 126 G C8 . 25049 2 190 . 1 1 35 35 U H1' H 1 5.4006 0.0 . 1 . . . A 127 U H1' . 25049 2 191 . 1 1 35 35 U H5 H 1 5.411975 0.0 . 1 . . . A 127 U H5 . 25049 2 192 . 1 1 35 35 U H6 H 1 7.560596 0.0 . 1 . . . A 127 U H6 . 25049 2 193 . 1 1 35 35 U C1' C 13 91.26601 0.0 . 1 . . . A 127 U C1' . 25049 2 194 . 1 1 35 35 U C5 C 13 111.248915 0.0 . 1 . . . A 127 U C5 . 25049 2 195 . 1 1 35 35 U C6 C 13 138.41318 0.0 . 1 . . . A 127 U C6 . 25049 2 196 . 1 1 36 36 C H1' H 1 6.01922 0.0 . 1 . . . A 128 C H1' . 25049 2 197 . 1 1 36 36 C H5 H 1 6.01757666667 0.0 . 1 . . . A 128 C H5 . 25049 2 198 . 1 1 36 36 C H6 H 1 7.97277142857 0.0 . 1 . . . A 128 C H6 . 25049 2 199 . 1 1 36 36 C C5 C 13 99.46612 0.0 . 1 . . . A 128 C C5 . 25049 2 200 . 1 1 36 36 C C6 C 13 144.47894 0.0 . 1 . . . A 128 C C6 . 25049 2 201 . 1 1 37 37 A H1' H 1 5.88523 0.0 . 1 . . . A 129 A H1' . 25049 2 202 . 1 1 37 37 A H2 H 1 7.96448 0.0 . 1 . . . A 129 A H2 . 25049 2 203 . 1 1 37 37 A H8 H 1 8.14223 0.0 . 1 . . . A 129 A H8 . 25049 2 204 . 1 1 37 37 A C1' C 13 87.52675 0.0 . 1 . . . A 129 A C1' . 25049 2 205 . 1 1 37 37 A C2 C 13 152.65019 0.0 . 1 . . . A 129 A C2 . 25049 2 206 . 1 1 37 37 A C8 C 13 138.69763 0.0 . 1 . . . A 129 A C8 . 25049 2 207 . 1 1 38 38 G H1' H 1 5.93030428571 0.0 . 1 . . . A 130 G H1' . 25049 2 208 . 1 1 38 38 G H2' H 1 4.81990285714 0.0 . 1 . . . A 130 G H2' . 25049 2 209 . 1 1 38 38 G H3' H 1 5.29119285714 0.0 . 1 . . . A 130 G H3' . 25049 2 210 . 1 1 38 38 G H8 H 1 7.86955833333 0.0 . 1 . . . A 130 G H8 . 25049 2 211 . 1 1 38 38 G C1' C 13 93.5337 0.0 . 1 . . . A 130 G C1' . 25049 2 212 . 1 1 38 38 G C2' C 13 76.65603 0.0 . 1 . . . A 130 G C2' . 25049 2 213 . 1 1 38 38 G C3' C 13 76.03156 0.0 . 1 . . . A 130 G C3' . 25049 2 214 . 1 1 38 38 G C8 C 13 142.276205 0.0 . 1 . . . A 130 G C8 . 25049 2 215 . 1 1 39 39 C H5 H 1 5.99038 0.0 . 1 . . . A 131 C H5 . 25049 2 216 . 1 1 39 39 C H6 H 1 8.065525 0.0 . 1 . . . A 131 C H6 . 25049 2 217 . 1 1 39 39 C C5 C 13 99.15388 0.0 . 1 . . . A 131 C C5 . 25049 2 218 . 1 1 40 40 G H1' H 1 5.67691 0.0 . 1 . . . A 132 G H1' . 25049 2 219 . 1 1 40 40 G H8 H 1 7.61217666667 0.0 . 1 . . . A 132 G H8 . 25049 2 220 . 1 1 40 40 G C8 C 13 136.3438 0.0 . 1 . . . A 132 G C8 . 25049 2 221 . 1 1 41 41 G H1' H 1 5.7328 0.0 . 1 . . . A 133 G H1' . 25049 2 222 . 1 1 41 41 G H8 H 1 7.19787333333 0.0 . 1 . . . A 133 G H8 . 25049 2 223 . 1 1 41 41 G C8 C 13 135.71933 0.0 . 1 . . . A 133 G C8 . 25049 2 224 . 1 1 42 42 G H1' H 1 5.75087 0.0 . 1 . . . A 134 G H1' . 25049 2 225 . 1 1 42 42 G H8 H 1 7.02475166667 0.0 . 1 . . . A 134 G H8 . 25049 2 226 . 1 1 42 42 G C8 C 13 135.71933 0.0 . 1 . . . A 134 G C8 . 25049 2 227 . 1 1 43 43 G H1' H 1 5.70118 0.0 . 1 . . . A 135 G H1' . 25049 2 228 . 1 1 43 43 G H8 H 1 7.2913 0.0 . 1 . . . A 135 G H8 . 25049 2 229 . 1 1 43 43 G C8 C 13 136.65604 0.0 . 1 . . . A 135 G C8 . 25049 2 230 . 1 1 44 44 G H1' H 1 5.6097 0.0 . 1 . . . A 136 G H1' . 25049 2 231 . 1 1 44 44 G H2' H 1 4.42297666667 0.0 . 1 . . . A 136 G H2' . 25049 2 232 . 1 1 44 44 G H8 H 1 7.291105 0.0 . 1 . . . A 136 G H8 . 25049 2 233 . 1 1 44 44 G C2' C 13 84.16672 0.0 . 1 . . . A 136 G C2' . 25049 2 234 . 1 1 44 44 G C8 C 13 136.3438 0.0 . 1 . . . A 136 G C8 . 25049 2 235 . 1 1 45 45 U H5 H 1 5.058635 0.0 . 1 . . . A 137 U H5 . 25049 2 236 . 1 1 45 45 U H6 H 1 7.741245 0.0 . 1 . . . A 137 U H6 . 25049 2 237 . 1 1 45 45 U C5 C 13 99.69631 0.0 . 1 . . . A 137 U C5 . 25049 2 238 . 1 1 45 45 U C6 C 13 139.34987 0.0 . 1 . . . A 137 U C6 . 25049 2 239 . 1 1 46 46 C H1' H 1 5.59426666667 0.0 . 1 . . . A 138 C H1' . 25049 2 240 . 1 1 46 46 C C1' C 13 93.84593 0.0 . 1 . . . A 138 C C1' . 25049 2 241 . 1 1 47 47 U H1' H 1 5.53228142857 0.0 . 1 . . . A 139 U H1' . 25049 2 242 . 1 1 47 47 U H6 H 1 7.779898 0.0 . 1 . . . A 139 U H6 . 25049 2 243 . 1 1 47 47 U C1' C 13 91.57826 0.0 . 1 . . . A 139 U C1' . 25049 2 244 . 1 1 47 47 U C6 C 13 138.72542 0.0 . 1 . . . A 139 U C6 . 25049 2 245 . 1 1 48 48 U H1' H 1 5.35234444444 0.0 . 1 . . . A 140 U H1' . 25049 2 246 . 1 1 48 48 U H5 H 1 5.62432571429 0.0 . 1 . . . A 140 U H5 . 25049 2 247 . 1 1 48 48 U H6 H 1 7.864648 0.0 . 1 . . . A 140 U H6 . 25049 2 248 . 1 1 48 48 U C1' C 13 95.574848 0.0 . 1 . . . A 140 U C1' . 25049 2 249 . 1 1 48 48 U C5 C 13 100.633013333 0.0 . 1 . . . A 140 U C5 . 25049 2 250 . 1 1 48 48 U C6 C 13 140.5988 0.0 . 1 . . . A 140 U C6 . 25049 2 251 . 1 1 49 49 U H1' H 1 5.74614 0.0 . 1 . . . A 141 U H1' . 25049 2 252 . 1 1 49 49 U H5 H 1 5.798543 0.0 . 1 . . . A 141 U H5 . 25049 2 253 . 1 1 49 49 U H6 H 1 8.029811 0.0 . 1 . . . A 141 U H6 . 25049 2 254 . 1 1 49 49 U C1' C 13 90.01711 0.0 . 1 . . . A 141 U C1' . 25049 2 255 . 1 1 49 49 U C5 C 13 100.94525 0.0 . 1 . . . A 141 U C5 . 25049 2 256 . 1 1 49 49 U C6 C 13 140.5988 0.0 . 1 . . . A 141 U C6 . 25049 2 257 . 1 1 50 50 C H1' H 1 5.560582 0.0 . 1 . . . A 142 C H1' . 25049 2 258 . 1 1 50 50 C H5 H 1 5.713088 0.0 . 1 . . . A 142 C H5 . 25049 2 259 . 1 1 50 50 C H6 H 1 7.74510666667 0.0 . 1 . . . A 142 C H6 . 25049 2 260 . 1 1 50 50 C C1' C 13 94.15816 0.0 . 1 . . . A 142 C C1' . 25049 2 261 . 1 1 50 50 C C5 C 13 98.21719 0.0 . 1 . . . A 142 C C5 . 25049 2 262 . 1 1 50 50 C C6 C 13 141.9639925 0.0 . 1 . . . A 142 C C6 . 25049 2 263 . 1 1 51 51 A H1' H 1 5.93903 0.0 . 1 . . . A 143 A H1' . 25049 2 264 . 1 1 51 51 A H2 H 1 7.40083 0.0 . 1 . . . A 143 A H2 . 25049 2 265 . 1 1 51 51 A H8 H 1 8.02385 0.0 . 1 . . . A 143 A H8 . 25049 2 266 . 1 1 51 51 A C1' C 13 90.52962 0.0 . 1 . . . A 143 A C1' . 25049 2 267 . 1 1 51 51 A C2 C 13 150.72108 0.0 . 1 . . . A 143 A C2 . 25049 2 268 . 1 1 51 51 A C8 C 13 137.00296 0.0 . 1 . . . A 143 A C8 . 25049 2 269 . 1 1 52 52 U H1' H 1 5.410585 0.0 . 1 . . . A 144 U H1' . 25049 2 270 . 1 1 52 52 U H2' H 1 4.08326 0.0 . 1 . . . A 144 U H2' . 25049 2 271 . 1 1 52 52 U H5 H 1 5.40721125 0.0 . 1 . . . A 144 U H5 . 25049 2 272 . 1 1 52 52 U H6 H 1 7.55867444444 0.0 . 1 . . . A 144 U H6 . 25049 2 273 . 1 1 52 52 U C1' C 13 90.32934 0.0 . 1 . . . A 144 U C1' . 25049 2 274 . 1 1 52 52 U C5 C 13 110.312224 0.0 . 1 . . . A 144 U C5 . 25049 2 275 . 1 1 52 52 U C6 C 13 138.10094 0.0 . 1 . . . A 144 U C6 . 25049 2 276 . 1 1 53 53 U H1' H 1 5.86488888889 0.0 . 1 . . . A 145 U H1' . 25049 2 277 . 1 1 53 53 U H5 H 1 5.56659 0.0 . 1 . . . A 145 U H5 . 25049 2 278 . 1 1 53 53 U H6 H 1 7.79296666667 0.0 . 1 . . . A 145 U H6 . 25049 2 279 . 1 1 53 53 U C1' C 13 89.0633 0.0 . 1 . . . A 145 U C1' . 25049 2 280 . 1 1 53 53 U C5 C 13 101.5697 0.0 . 1 . . . A 145 U C5 . 25049 2 281 . 1 1 53 53 U C6 C 13 140.59879 0.0 . 1 . . . A 145 U C6 . 25049 2 282 . 1 1 54 54 U H1' H 1 5.62684285714 0.0 . 1 . . . A 146 U H1' . 25049 2 283 . 1 1 54 54 U H5 H 1 5.76193571429 0.0 . 1 . . . A 146 U H5 . 25049 2 284 . 1 1 54 54 U H6 H 1 7.865428 0.0 . 1 . . . A 146 U H6 . 25049 2 285 . 1 1 54 54 U C1' C 13 90.62447 0.0 . 1 . . . A 146 U C1' . 25049 2 286 . 1 1 54 54 U C5 C 13 101.56972 0.0 . 1 . . . A 146 U C5 . 25049 2 287 . 1 1 54 54 U C6 C 13 138.632733333 0.0 . 1 . . . A 146 U C6 . 25049 2 288 . 1 1 55 55 G H1' H 1 5.79365 0.0 . 1 . . . A 147 G H1' . 25049 2 289 . 1 1 55 55 G H8 H 1 7.80713333333 0.0 . 1 . . . A 147 G H8 . 25049 2 290 . 1 1 55 55 G C1' C 13 91.97253 0.0 . 1 . . . A 147 G C1' . 25049 2 291 . 1 1 55 55 G C8 C 13 136.96826 0.0 . 1 . . . A 147 G C8 . 25049 2 292 . 1 1 56 56 G H1' H 1 5.857215 0.0 . 1 . . . A 148 G H1' . 25049 2 293 . 1 1 56 56 G H8 H 1 7.31548555556 0.0 . 1 . . . A 148 G H8 . 25049 2 294 . 1 1 56 56 G C8 C 13 136.65604 0.0 . 1 . . . A 148 G C8 . 25049 2 295 . 1 1 57 57 G H1' H 1 5.810445 0.0 . 1 . . . A 149 G H1' . 25049 2 296 . 1 1 57 57 G H8 H 1 7.16226571429 0.0 . 1 . . . A 149 G H8 . 25049 2 297 . 1 1 57 57 G C8 C 13 136.65604 0.0 . 1 . . . A 149 G C8 . 25049 2 298 . 1 1 58 58 G H1' H 1 5.8167 0.0 . 1 . . . A 150 G H1' . 25049 2 299 . 1 1 58 58 G H8 H 1 7.2999475 0.0 . 1 . . . A 150 G H8 . 25049 2 300 . 1 1 58 58 G C8 C 13 136.3438 0.0 . 1 . . . A 150 G C8 . 25049 2 301 . 1 1 59 59 G H1' H 1 5.77131 0.0 . 1 . . . A 151 G H1' . 25049 2 302 . 1 1 59 59 G H8 H 1 7.197716 0.0 . 1 . . . A 151 G H8 . 25049 2 303 . 1 1 59 59 G C8 C 13 136.65604 0.0 . 1 . . . A 151 G C8 . 25049 2 304 . 1 1 60 60 C H1' H 1 5.552165 0.0 . 1 . . . A 152 C H1' . 25049 2 305 . 1 1 60 60 C H5 H 1 5.29592 0.0 . 1 . . . A 152 C H5 . 25049 2 306 . 1 1 60 60 C H6 H 1 7.58074 0.0 . 1 . . . A 152 C H6 . 25049 2 307 . 1 1 60 60 C C5 C 13 97.28049 0.0 . 1 . . . A 152 C C5 . 25049 2 308 . 1 1 60 60 C C6 C 13 140.71506 0.0 . 1 . . . A 152 C C6 . 25049 2 309 . 1 1 61 61 U H5 H 1 5.76191333333 0.0 . 1 . . . A 153 U H5 . 25049 2 310 . 1 1 61 61 U H6 H 1 7.86975666667 0.0 . 1 . . . A 153 U H6 . 25049 2 311 . 1 1 61 61 U C5 C 13 101.8819125 0.0 . 1 . . . A 153 U C5 . 25049 2 312 . 1 1 61 61 U C6 C 13 140.297993333 0.0 . 1 . . . A 153 U C6 . 25049 2 313 . 1 1 62 62 C H1' H 1 5.74982 0.0 . 1 . . . A 154 C H1' . 25049 2 314 . 1 1 62 62 C H6 H 1 7.76876 0.0 . 1 . . . A 154 C H6 . 25049 2 315 . 1 1 63 63 G H1' H 1 5.76267 0.0 . 1 . . . A 155 G H1' . 25049 2 316 . 1 1 63 63 G H3' H 1 4.790385 0.0 . 1 . . . A 155 G H3' . 25049 2 317 . 1 1 63 63 G H8 H 1 7.997162 0.0 . 1 . . . A 155 G H8 . 25049 2 318 . 1 1 63 63 G C1' C 13 89.16244 0.0 . 1 . . . A 155 G C1' . 25049 2 319 . 1 1 63 63 G C3' C 13 77.28049 0.0 . 1 . . . A 155 G C3' . 25049 2 320 . 1 1 63 63 G C8 C 13 139.77835 0.0 . 1 . . . A 155 G C8 . 25049 2 321 . 1 1 64 64 U H1' H 1 5.686725 0.0 . 1 . . . A 156 U H1' . 25049 2 322 . 1 1 64 64 U H5 H 1 5.29344 0.0 . 1 . . . A 156 U H5 . 25049 2 323 . 1 1 64 64 U H6 H 1 7.67817 0.0 . 1 . . . A 156 U H6 . 25049 2 324 . 1 1 64 64 U C1' C 13 89.37553 0.0 . 1 . . . A 156 U C1' . 25049 2 325 . 1 1 64 64 U C6 C 13 139.05475 0.0 . 1 . . . A 156 U C6 . 25049 2 326 . 1 1 65 65 G H1' H 1 5.67405 0.0 . 1 . . . A 157 G H1' . 25049 2 327 . 1 1 65 65 G H8 H 1 7.98550166667 0.0 . 1 . . . A 157 G H8 . 25049 2 328 . 1 1 65 65 G C8 C 13 137.59271 0.0 . 1 . . . A 157 G C8 . 25049 2 329 . 1 1 66 66 C H1' H 1 5.68251 0.0 . 1 . . . A 158 C H1' . 25049 2 330 . 1 1 66 66 C H5 H 1 5.25082 0.0 . 1 . . . A 158 C H5 . 25049 2 331 . 1 1 66 66 C H6 H 1 7.73513 0.0 . 1 . . . A 158 C H6 . 25049 2 332 . 1 1 66 66 C C5 C 13 96.65603 0.0 . 1 . . . A 158 C C5 . 25049 2 333 . 1 1 66 66 C C6 C 13 141.33952 0.0 . 1 . . . A 158 C C6 . 25049 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_chem_shift_list_2_dup _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2_dup _Assigned_chem_shift_list.Entry_ID 25049 _Assigned_chem_shift_list.ID 3 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' . . . 25049 3 2 '2D 1H-1H NOESYin H2O' . . . 25049 3 3 '2D 1H-1H NOESYin D2O' . . . 25049 3 4 '3D 1H-13C NOESY' . . . 25049 3 5 '2D 1H-15N HSQC' . . . 25049 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 5 5 G H1 H 1 9.77116 0.0 . 1 . . . A 97 G H1 . 25049 3 2 . 1 1 5 5 G N1 N 15 141.32568 0.0 . 1 . . . A 97 G N1 . 25049 3 3 . 1 1 7 7 G H1 H 1 12.03951 0.0 . 1 . . . A 99 G H1 . 25049 3 4 . 1 1 7 7 G N1 N 15 148.62137 0.0 . 1 . . . A 99 G N1 . 25049 3 5 . 1 1 8 8 G H1 H 1 10.67689 0.0 . 1 . . . A 100 G H1 . 25049 3 6 . 1 1 8 8 G N1 N 15 142.24649 0.0 . 1 . . . A 100 G N1 . 25049 3 7 . 1 1 9 9 G H1 H 1 13.22475 0.0 . 1 . . . A 101 G H1 . 25049 3 8 . 1 1 9 9 G N1 N 15 148.30766 0.0 . 1 . . . A 101 G N1 . 25049 3 9 . 1 1 10 10 U H3 H 1 11.90424 0.0 . 1 . . . A 102 U H3 . 25049 3 10 . 1 1 10 10 U N3 N 15 157.5089 0.0 . 1 . . . A 102 U N3 . 25049 3 11 . 1 1 12 12 U H3 H 1 11.77363 0.0 . 1 . . . A 104 U H3 . 25049 3 12 . 1 1 12 12 U N3 N 15 155.09723 0.0 . 1 . . . A 104 U N3 . 25049 3 13 . 1 1 20 20 G H1 H 1 11.33233 0.0 . 1 . . . A 112 G H1 . 25049 3 14 . 1 1 20 20 G N1 N 15 143.83609 0.0 . 1 . . . A 112 G N1 . 25049 3 15 . 1 1 21 21 U H3 H 1 13.42254 0.0 . 1 . . . A 113 U H3 . 25049 3 16 . 1 1 21 21 U N3 N 15 164.47319 0.0 . 1 . . . A 113 U N3 . 25049 3 17 . 1 1 22 22 G H1 H 1 11.24935 0.0 . 1 . . . A 114 G H1 . 25049 3 18 . 1 1 22 22 G N1 N 15 145.52499 0.0 . 1 . . . A 114 G N1 . 25049 3 19 . 1 1 24 24 U H3 H 1 11.00006 0.0 . 1 . . . A 116 U H3 . 25049 3 20 . 1 1 24 24 U N3 N 15 151.85785 0.0 . 1 . . . A 116 U N3 . 25049 3 21 . 1 1 25 25 U H3 H 1 10.86554 0.0 . 1 . . . A 117 U H3 . 25049 3 22 . 1 1 25 25 U N3 N 15 154.00287 0.0 . 1 . . . A 117 U N3 . 25049 3 23 . 1 1 29 29 U H3 H 1 11.78755 0.0 . 1 . . . A 121 U H3 . 25049 3 24 . 1 1 29 29 U N3 N 15 155.0704 0.0 . 1 . . . A 121 U N3 . 25049 3 25 . 1 1 34 34 G H1 H 1 12.92771 0.0 . 1 . . . A 126 G H1 . 25049 3 26 . 1 1 34 34 G N1 N 15 148.71623 0.0 . 1 . . . A 126 G N1 . 25049 3 27 . 1 1 38 38 G H1 H 1 10.6312 0.0 . 1 . . . A 130 G H1 . 25049 3 28 . 1 1 38 38 G N1 N 15 142.24649 0.0 . 1 . . . A 130 G N1 . 25049 3 29 . 1 1 42 42 G H1 H 1 12.59315 0.0 . 1 . . . A 134 G H1 . 25049 3 30 . 1 1 42 42 G N1 N 15 147.83209 0.0 . 1 . . . A 134 G N1 . 25049 3 31 . 1 1 43 43 G H1 H 1 10.35437 0.0 . 1 . . . A 135 G H1 . 25049 3 32 . 1 1 43 43 G N1 N 15 143.0054 0.0 . 1 . . . A 135 G N1 . 25049 3 33 . 1 1 45 45 U H3 H 1 13.81514 0.0 . 1 . . . A 137 U H3 . 25049 3 34 . 1 1 45 45 U N3 N 15 163.80875 0.0 . 1 . . . A 137 U N3 . 25049 3 35 . 1 1 47 47 U H3 H 1 10.09018 0.0 . 1 . . . A 139 U H3 . 25049 3 36 . 1 1 47 47 U N3 N 15 149.43719 0.0 . 1 . . . A 139 U N3 . 25049 3 37 . 1 1 48 48 U H3 H 1 10.77992 0.0 . 1 . . . A 140 U H3 . 25049 3 38 . 1 1 48 48 U N3 N 15 155.24414 0.0 . 1 . . . A 140 U N3 . 25049 3 39 . 1 1 49 49 U H3 H 1 14.50302 0.0 . 1 . . . A 141 U H3 . 25049 3 40 . 1 1 49 49 U N3 N 15 167.30324 0.0 . 1 . . . A 141 U N3 . 25049 3 41 . 1 1 52 52 U H3 H 1 11.40617 0.0 . 1 . . . A 144 U H3 . 25049 3 42 . 1 1 52 52 U N3 N 15 155.09723 0.0 . 1 . . . A 144 U N3 . 25049 3 43 . 1 1 55 55 G H1 H 1 11.97824 0.0 . 1 . . . A 147 G H1 . 25049 3 44 . 1 1 55 55 G N1 N 15 146.32881 0.0 . 1 . . . A 147 G N1 . 25049 3 45 . 1 1 57 57 G H1 H 1 10.53982 0.0 . 1 . . . A 149 G H1 . 25049 3 46 . 1 1 57 57 G N1 N 15 142.53995 0.0 . 1 . . . A 149 G N1 . 25049 3 47 . 1 1 58 58 G H1 H 1 12.56628 0.0 . 1 . . . A 150 G H1 . 25049 3 48 . 1 1 58 58 G N1 N 15 147.83209 0.0 . 1 . . . A 150 G N1 . 25049 3 49 . 1 1 59 59 G H1 H 1 11.14184 0.0 . 1 . . . A 151 G H1 . 25049 3 50 . 1 1 59 59 G N1 N 15 144.44229 0.0 . 1 . . . A 151 G N1 . 25049 3 51 . 1 1 61 61 U H3 H 1 11.69369 0.0 . 1 . . . A 153 U H3 . 25049 3 52 . 1 1 61 61 U N3 N 15 155.09723 0.0 . 1 . . . A 153 U N3 . 25049 3 53 . 1 1 64 64 U H3 H 1 154.54024 0.0 . 1 . . . A 156 U H3 . 25049 3 54 . 1 1 64 64 U N3 N 15 11.26806 0.0 . 1 . . . A 156 U N3 . 25049 3 stop_ save_