################################### # 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 30699 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 'D2O 2D 1H-1H NOESY' . . . 30699 1 2 'H2O 2D 1H-1H NOESY' . . . 30699 1 3 'D2O 2D DQF-COSY' . . . 30699 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 C H1' H 1 5.614 0.00 . . . . . . A 1 C H1' . 30699 1 2 . 1 . 1 1 1 C H2' H 1 4.466 0.00 . . . . . . A 1 C H2' . 30699 1 3 . 1 . 1 1 1 C H3' H 1 4.561 0.00 . . . . . . A 1 C H3' . 30699 1 4 . 1 . 1 1 1 C H4' H 1 4.404 0.00 . . . . . . A 1 C H4' . 30699 1 5 . 1 . 1 1 1 C H5 H 1 6.080 0.00 . . . . . . A 1 C H5 . 30699 1 6 . 1 . 1 1 1 C H5' H 1 3.982 0.00 . . . . . . A 1 C H5' . 30699 1 7 . 1 . 1 1 1 C H5'' H 1 4.144 0.00 . . . . . . A 1 C H5'' . 30699 1 8 . 1 . 1 1 1 C H6 H 1 8.195 0.00 . . . . . . A 1 C H6 . 30699 1 9 . 1 . 1 2 2 C H1' H 1 5.670 0.00 . . . . . . A 2 C H1' . 30699 1 10 . 1 . 1 2 2 C H2' H 1 4.641 0.00 . . . . . . A 2 C H2' . 30699 1 11 . 1 . 1 2 2 C H3' H 1 4.755 0.00 . . . . . . A 2 C H3' . 30699 1 12 . 1 . 1 2 2 C H5 H 1 5.672 0.00 . . . . . . A 2 C H5 . 30699 1 13 . 1 . 1 2 2 C H6 H 1 8.058 0.00 . . . . . . A 2 C H6 . 30699 1 14 . 1 . 1 3 3 G H1' H 1 5.812 0.00 . . . . . . A 3 G H1' . 30699 1 15 . 1 . 1 3 3 G H2' H 1 4.631 0.00 . . . . . . A 3 G H2' . 30699 1 16 . 1 . 1 3 3 G H3' H 1 4.553 0.00 . . . . . . A 3 G H3' . 30699 1 17 . 1 . 1 3 3 G H4' H 1 4.567 0.00 . . . . . . A 3 G H4' . 30699 1 18 . 1 . 1 3 3 G H8 H 1 7.722 0.00 . . . . . . A 3 G H8 . 30699 1 19 . 1 . 1 4 4 G H1' H 1 5.785 0.00 . . . . . . A 4 G H1' . 30699 1 20 . 1 . 1 4 4 G H2' H 1 4.594 0.00 . . . . . . A 4 G H2' . 30699 1 21 . 1 . 1 4 4 G H3' H 1 4.409 0.00 . . . . . . A 4 G H3' . 30699 1 22 . 1 . 1 4 4 G H4' H 1 4.514 0.00 . . . . . . A 4 G H4' . 30699 1 23 . 1 . 1 4 4 G H8 H 1 7.272 0.00 . . . . . . A 4 G H8 . 30699 1 24 . 1 . 1 5 5 C H1' H 1 5.671 0.00 . . . . . . A 5 C H1' . 30699 1 25 . 1 . 1 5 5 C H2' H 1 4.210 0.00 . . . . . . A 5 C H2' . 30699 1 26 . 1 . 1 5 5 C H3' H 1 4.497 0.00 . . . . . . A 5 C H3' . 30699 1 27 . 1 . 1 5 5 C H5 H 1 5.339 0.00 . . . . . . A 5 C H5 . 30699 1 28 . 1 . 1 5 5 C H6 H 1 7.521 0.00 . . . . . . A 5 C H6 . 30699 1 29 . 1 . 1 6 6 A H1' H 1 6.071 0.00 . . . . . . A 6 A H1' . 30699 1 30 . 1 . 1 6 6 A H2' H 1 4.526 0.00 . . . . . . A 6 A H2' . 30699 1 31 . 1 . 1 6 6 A H3' H 1 4.874 0.00 . . . . . . A 6 A H3' . 30699 1 32 . 1 . 1 6 6 A H4' H 1 4.246 0.00 . . . . . . A 6 A H4' . 30699 1 33 . 1 . 1 6 6 A H8 H 1 8.330 0.00 . . . . . . A 6 A H8 . 30699 1 34 . 1 . 1 7 7 G H1' H 1 5.700 0.00 . . . . . . A 7 G H1' . 30699 1 35 . 1 . 1 7 7 G H2' H 1 4.559 0.00 . . . . . . A 7 G H2' . 30699 1 36 . 1 . 1 7 7 G H3' H 1 4.420 0.00 . . . . . . A 7 G H3' . 30699 1 37 . 1 . 1 7 7 G H8 H 1 7.808 0.00 . . . . . . A 7 G H8 . 30699 1 38 . 1 . 1 8 8 U H1' H 1 5.649 0.00 . . . . . . A 8 U H1' . 30699 1 39 . 1 . 1 8 8 U H2' H 1 4.564 0.00 . . . . . . A 8 U H2' . 30699 1 40 . 1 . 1 8 8 U H3' H 1 4.603 0.00 . . . . . . A 8 U H3' . 30699 1 41 . 1 . 1 8 8 U H5 H 1 5.112 0.00 . . . . . . A 8 U H5 . 30699 1 42 . 1 . 1 8 8 U H6 H 1 7.843 0.00 . . . . . . A 8 U H6 . 30699 1 43 . 1 . 1 9 9 G H1' H 1 5.859 0.00 . . . . . . A 9 G H1' . 30699 1 44 . 1 . 1 9 9 G H2' H 1 4.495 0.00 . . . . . . A 9 G H2' . 30699 1 45 . 1 . 1 9 9 G H3' H 1 4.605 0.01 . . . . . . A 9 G H3' . 30699 1 46 . 1 . 1 9 9 G H4' H 1 4.544 0.00 . . . . . . A 9 G H4' . 30699 1 47 . 1 . 1 9 9 G H5' H 1 4.205 0.00 . . . . . . A 9 G H5' . 30699 1 48 . 1 . 1 9 9 G H8 H 1 7.763 0.01 . . . . . . A 9 G H8 . 30699 1 49 . 1 . 1 10 10 U H1' H 1 5.514 0.00 . . . . . . A 10 U H1' . 30699 1 50 . 1 . 1 10 10 U H2' H 1 4.335 0.00 . . . . . . A 10 U H2' . 30699 1 51 . 1 . 1 10 10 U H3' H 1 4.524 0.00 . . . . . . A 10 U H3' . 30699 1 52 . 1 . 1 10 10 U H4' H 1 4.427 0.00 . . . . . . A 10 U H4' . 30699 1 53 . 1 . 1 10 10 U H5 H 1 5.186 0.00 . . . . . . A 10 U H5 . 30699 1 54 . 1 . 1 10 10 U H6 H 1 7.714 0.00 . . . . . . A 10 U H6 . 30699 1 55 . 1 . 1 11 11 G H1' H 1 5.890 0.00 . . . . . . A 11 G H1' . 30699 1 56 . 1 . 1 11 11 G H2' H 1 4.074 0.00 . . . . . . A 11 G H2' . 30699 1 57 . 1 . 1 11 11 G H3' H 1 4.331 0.00 . . . . . . A 11 G H3' . 30699 1 58 . 1 . 1 11 11 G H4' H 1 4.254 0.00 . . . . . . A 11 G H4' . 30699 1 59 . 1 . 1 11 11 G H8 H 1 7.724 0.00 . . . . . . A 11 G H8 . 30699 1 60 . 2 . 2 1 1 C H1' H 1 5.551 0.00 . . . . . . B 12 C H1' . 30699 1 61 . 2 . 2 1 1 C H2' H 1 4.519 0.00 . . . . . . B 12 C H2' . 30699 1 62 . 2 . 2 1 1 C H3' H 1 4.625 0.00 . . . . . . B 12 C H3' . 30699 1 63 . 2 . 2 1 1 C H4' H 1 4.392 0.00 . . . . . . B 12 C H4' . 30699 1 64 . 2 . 2 1 1 C H5 H 1 5.994 0.00 . . . . . . B 12 C H5 . 30699 1 65 . 2 . 2 1 1 C H5' H 1 3.973 0.00 . . . . . . B 12 C H5' . 30699 1 66 . 2 . 2 1 1 C H5'' H 1 4.101 0.00 . . . . . . B 12 C H5'' . 30699 1 67 . 2 . 2 1 1 C H6 H 1 8.120 0.00 . . . . . . B 12 C H6 . 30699 1 68 . 2 . 2 2 2 A H1' H 1 6.017 0.00 . . . . . . B 13 A H1' . 30699 1 69 . 2 . 2 2 2 A H2 H 1 7.594 0.00 . . . . . . B 13 A H2 . 30699 1 70 . 2 . 2 2 2 A H2' H 1 4.575 0.00 . . . . . . B 13 A H2' . 30699 1 71 . 2 . 2 2 2 A H3' H 1 4.879 0.00 . . . . . . B 13 A H3' . 30699 1 72 . 2 . 2 2 2 A H8 H 1 8.337 0.00 . . . . . . B 13 A H8 . 30699 1 73 . 2 . 2 3 3 C H1' H 1 5.480 0.00 . . . . . . B 14 C H1' . 30699 1 74 . 2 . 2 3 3 C H2' H 1 4.311 0.00 . . . . . . B 14 C H2' . 30699 1 75 . 2 . 2 3 3 C H3' H 1 4.577 0.00 . . . . . . B 14 C H3' . 30699 1 76 . 2 . 2 3 3 C H4' H 1 4.465 0.00 . . . . . . B 14 C H4' . 30699 1 77 . 2 . 2 3 3 C H5 H 1 5.287 0.00 . . . . . . B 14 C H5 . 30699 1 78 . 2 . 2 3 3 C H5' H 1 4.184 0.00 . . . . . . B 14 C H5' . 30699 1 79 . 2 . 2 3 3 C H6 H 1 7.697 0.00 . . . . . . B 14 C H6 . 30699 1 80 . 2 . 2 4 4 A H1' H 1 5.971 0.00 . . . . . . B 15 A H1' . 30699 1 81 . 2 . 2 4 4 A H2 H 1 7.481 0.00 . . . . . . B 15 A H2 . 30699 1 82 . 2 . 2 4 4 A H2' H 1 4.517 0.00 . . . . . . B 15 A H2' . 30699 1 83 . 2 . 2 4 4 A H3' H 1 4.740 0.00 . . . . . . B 15 A H3' . 30699 1 84 . 2 . 2 4 4 A H4' H 1 4.191 0.00 . . . . . . B 15 A H4' . 30699 1 85 . 2 . 2 4 4 A H8 H 1 8.074 0.00 . . . . . . B 15 A H8 . 30699 1 86 . 2 . 2 5 5 C H1' H 1 5.497 0.00 . . . . . . B 16 C H1' . 30699 1 87 . 2 . 2 5 5 C H2' H 1 4.326 0.00 . . . . . . B 16 C H2' . 30699 1 88 . 2 . 2 5 5 C H3' H 1 4.454 0.00 . . . . . . B 16 C H3' . 30699 1 89 . 2 . 2 5 5 C H4' H 1 4.431 0.00 . . . . . . B 16 C H4' . 30699 1 90 . 2 . 2 5 5 C H5 H 1 5.304 0.00 . . . . . . B 16 C H5 . 30699 1 91 . 2 . 2 5 5 C H6 H 1 7.411 0.00 . . . . . . B 16 C H6 . 30699 1 92 . 2 . 2 6 6 G H1' H 1 5.683 0.00 . . . . . . B 17 G H1' . 30699 1 93 . 2 . 2 6 6 G H2' H 1 4.626 0.00 . . . . . . B 17 G H2' . 30699 1 94 . 2 . 2 6 6 G H3' H 1 4.506 0.00 . . . . . . B 17 G H3' . 30699 1 95 . 2 . 2 6 6 G H4' H 1 4.436 0.00 . . . . . . B 17 G H4' . 30699 1 96 . 2 . 2 6 6 G H8 H 1 7.617 0.00 . . . . . . B 17 G H8 . 30699 1 97 . 2 . 2 7 7 U H1' H 1 5.445 0.00 . . . . . . B 18 U H1' . 30699 1 98 . 2 . 2 7 7 U H2' H 1 4.113 0.00 . . . . . . B 18 U H2' . 30699 1 99 . 2 . 2 7 7 U H3' H 1 4.572 0.03 . . . . . . B 18 U H3' . 30699 1 100 . 2 . 2 7 7 U H4' H 1 4.408 0.00 . . . . . . B 18 U H4' . 30699 1 101 . 2 . 2 7 7 U H5 H 1 5.506 0.00 . . . . . . B 18 U H5 . 30699 1 102 . 2 . 2 7 7 U H6 H 1 7.899 0.00 . . . . . . B 18 U H6 . 30699 1 103 . 2 . 2 8 8 C H1' H 1 5.654 0.00 . . . . . . B 19 C H1' . 30699 1 104 . 2 . 2 8 8 C H2' H 1 4.550 0.00 . . . . . . B 19 C H2' . 30699 1 105 . 2 . 2 8 8 C H3' H 1 4.559 0.00 . . . . . . B 19 C H3' . 30699 1 106 . 2 . 2 8 8 C H5 H 1 5.629 0.00 . . . . . . B 19 C H5 . 30699 1 107 . 2 . 2 8 8 C H6 H 1 8.014 0.00 . . . . . . B 19 C H6 . 30699 1 108 . 2 . 2 9 9 G H1' H 1 5.661 0.00 . . . . . . B 20 G H1' . 30699 1 109 . 2 . 2 9 9 G H2' H 1 4.542 0.00 . . . . . . B 20 G H2' . 30699 1 110 . 2 . 2 9 9 G H3' H 1 4.499 0.00 . . . . . . B 20 G H3' . 30699 1 111 . 2 . 2 9 9 G H4' H 1 4.446 0.00 . . . . . . B 20 G H4' . 30699 1 112 . 2 . 2 9 9 G H5' H 1 4.132 0.00 . . . . . . B 20 G H5' . 30699 1 113 . 2 . 2 9 9 G H8 H 1 7.492 0.00 . . . . . . B 20 G H8 . 30699 1 114 . 2 . 2 10 10 G H1' H 1 5.854 0.00 . . . . . . B 21 G H1' . 30699 1 115 . 2 . 2 10 10 G H2' H 1 4.041 0.00 . . . . . . B 21 G H2' . 30699 1 116 . 2 . 2 10 10 G H3' H 1 4.240 0.00 . . . . . . B 21 G H3' . 30699 1 117 . 2 . 2 10 10 G H8 H 1 7.373 0.00 . . . . . . B 21 G H8 . 30699 1 118 . 3 . 3 1 1 MQC H18 H 1 3.830 0.00 . . . . . . A 101 MQC H18 . 30699 1 119 . 3 . 3 1 1 MQC H19 H 1 3.830 0.00 . . . . . . A 101 MQC H19 . 30699 1 120 . 3 . 3 1 1 MQC H20 H 1 3.830 0.00 . . . . . . A 101 MQC H20 . 30699 1 121 . 3 . 3 1 1 MQC H15 H 1 2.483 0.00 . . . . . . A 101 MQC H15 . 30699 1 122 . 3 . 3 1 1 MQC H16 H 1 2.483 0.00 . . . . . . A 101 MQC H16 . 30699 1 123 . 3 . 3 1 1 MQC H17 H 1 2.483 0.00 . . . . . . A 101 MQC H17 . 30699 1 124 . 3 . 3 1 1 MQC H1 H 1 8.726 0.00 . . . . . . A 101 MQC H1 . 30699 1 125 . 3 . 3 1 1 MQC H2 H 1 8.055 0.00 . . . . . . A 101 MQC H2 . 30699 1 126 . 3 . 3 1 1 MQC H3 H 1 7.761 0.00 . . . . . . A 101 MQC H3 . 30699 1 127 . 3 . 3 1 1 MQC H4 H 1 6.752 0.00 . . . . . . A 101 MQC H4 . 30699 1 128 . 3 . 3 1 1 MQC H5 H 1 6.919 0.00 . . . . . . A 101 MQC H5 . 30699 1 129 . 3 . 3 1 1 MQC H6 H 1 6.919 0.00 . . . . . . A 101 MQC H6 . 30699 1 130 . 3 . 3 1 1 MQC H7 H 1 7.403 0.00 . . . . . . A 101 MQC H7 . 30699 1 131 . 3 . 3 1 1 MQC H8 H 1 6.919 0.00 . . . . . . A 101 MQC H8 . 30699 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 30699 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 'D2O 2D 1H-1H NOESY' . . . 30699 2 2 'H2O 2D 1H-1H NOESY' . . . 30699 2 3 'D2O 2D DQF-COSY' . . . 30699 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 C H41 H 1 8.205 . . . . . . . A 1 C H41 . 30699 2 2 . 1 . 1 1 1 C H42 H 1 7.217 . . . . . . . A 1 C H42 . 30699 2 3 . 1 . 1 2 2 C H41 H 1 8.444 . . . . . . . A 2 C H41 . 30699 2 4 . 1 . 1 2 2 C H42 H 1 6.946 . . . . . . . A 2 C H42 . 30699 2 5 . 1 . 1 3 3 G H1 H 1 12.48 . . . . . . . A 3 G H1 . 30699 2 6 . 1 . 1 4 4 G H1 H 1 11.52 . . . . . . . A 4 G H1 . 30699 2 7 . 1 . 1 5 5 C H41 H 1 8.359 . . . . . . . A 5 C H41 . 30699 2 8 . 1 . 1 5 5 C H42 H 1 6.798 . . . . . . . A 5 C H42 . 30699 2 9 . 1 . 1 7 7 G H1 H 1 12.75 . . . . . . . A 7 G H1 . 30699 2 10 . 1 . 1 8 8 U H3 H 1 13.70 . . . . . . . A 8 U H3 . 30699 2 11 . 1 . 1 9 9 G H1 H 1 12.57 . . . . . . . A 9 G H1 . 30699 2 12 . 1 . 1 10 10 U H3 H 1 14.04 . . . . . . . A 10 U H3 . 30699 2 13 . 2 . 2 3 3 C H41 H 1 8.263 . . . . . . . B 14 C H41 . 30699 2 14 . 2 . 2 3 3 C H42 H 1 6.861 . . . . . . . B 14 C H42 . 30699 2 15 . 2 . 2 5 5 C H41 H 1 8.059 . . . . . . . B 16 C H41 . 30699 2 16 . 2 . 2 5 5 C H42 H 1 6.846 . . . . . . . B 16 C H42 . 30699 2 17 . 2 . 2 6 6 G H1 H 1 13.00 . . . . . . . B 17 G H1 . 30699 2 18 . 2 . 2 7 7 U H3 H 1 12.15 . . . . . . . B 18 U H3 . 30699 2 19 . 2 . 2 8 8 C H41 H 1 8.360 . . . . . . . B 19 C H41 . 30699 2 20 . 2 . 2 8 8 C H42 H 1 6.689 . . . . . . . B 19 C H42 . 30699 2 21 . 2 . 2 9 9 G H1 H 1 12.71 . . . . . . . B 20 G H1 . 30699 2 22 . 2 . 2 10 10 G H1 H 1 13.37 . . . . . . . B 21 G H1 . 30699 2 stop_ save_