################################### # 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 50846 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Chemicalshifts_Ox40mRNA3UTR _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' . . . 50846 1 3 '2D 1H-15N SOFAST HMQC' . . . 50846 1 5 '2D 1H-1H NOESY' . . . 50846 1 6 '2D 1H-15N SOFAST HMQC' . . . 50846 1 8 '2D 1H-1H NOESY' . . . 50846 1 9 '2D 1H-15N SOFAST HMQC' . . . 50846 1 11 '2D 1H-1H NOESY' . . . 50846 1 12 '2D 1H-15N SOFAST HMQC' . . . 50846 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 50846 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 G H1 H 1 13.143 0.003 . . . . . . . 1 G H1 . 50846 1 2 . 1 . 1 1 1 G N1 N 15 147.832 0.000 . . . . . . . 1 G N1 . 50846 1 3 . 1 . 1 4 4 U H3 H 1 11.792 0.001 . . . . . . . 4 U H3 . 50846 1 4 . 1 . 1 4 4 U N3 N 15 157.447 0.000 . . . . . . . 4 U N3 . 50846 1 5 . 1 . 1 5 5 U H3 H 1 12.006 0.003 . . . . . . . 5 U H3 . 50846 1 6 . 1 . 1 5 5 U N3 N 15 157.602 0.000 . . . . . . . 5 U N3 . 50846 1 7 . 1 . 1 8 8 U H3 H 1 11.477 0.000 . . . . . . . 8 U H3 . 50846 1 8 . 1 . 1 8 8 U N3 N 15 157.615 0.000 . . . . . . . 8 U N3 . 50846 1 9 . 1 . 1 12 12 G H1 H 1 12.825 0.003 . . . . . . . 12 G H1 . 50846 1 10 . 1 . 1 12 12 G N1 N 15 147.006 0.000 . . . . . . . 12 G N1 . 50846 1 11 . 1 . 1 13 13 G H1 H 1 13.740 0.007 . . . . . . . 13 G H1 . 50846 1 12 . 1 . 1 13 13 G N1 N 15 148.324 0.000 . . . . . . . 13 G N1 . 50846 1 13 . 1 . 1 26 26 G H1 H 1 11.968 0.001 . . . . . . . 26 G H1 . 50846 1 14 . 1 . 1 26 26 G N1 N 15 146.332 0.000 . . . . . . . 26 G N1 . 50846 1 15 . 1 . 1 27 27 G H1 H 1 12.793 0.002 . . . . . . . 27 G H1 . 50846 1 16 . 1 . 1 27 27 G N1 N 15 147.200 0.000 . . . . . . . 27 G N1 . 50846 1 17 . 1 . 1 28 28 G H1 H 1 12.982 0.010 . . . . . . . 28 G H1 . 50846 1 18 . 1 . 1 28 28 G N1 N 15 148.257 0.000 . . . . . . . 28 G N1 . 50846 1 19 . 1 . 1 52 52 G H1 H 1 13.404 0.004 . . . . . . . 52 G H1 . 50846 1 20 . 1 . 1 52 52 G N1 N 15 148.084 0.000 . . . . . . . 52 G N1 . 50846 1 21 . 1 . 1 55 55 U H3 H 1 11.349 0.003 . . . . . . . 55 U H3 . 50846 1 22 . 1 . 1 56 56 G H1 H 1 13.198 0.002 . . . . . . . 56 G H1 . 50846 1 23 . 1 . 1 56 56 G N1 N 15 148.422 0.000 . . . . . . . 56 G N1 . 50846 1 24 . 1 . 1 60 60 G H1 H 1 13.319 0.000 . . . . . . . 60 G H1 . 50846 1 25 . 1 . 1 60 60 G N1 N 15 148.248 0.000 . . . . . . . 60 G N1 . 50846 1 26 . 1 . 1 80 80 G H1 H 1 12.533 0.002 . . . . . . . 80 G H1 . 50846 1 27 . 1 . 1 80 80 G N1 N 15 146.942 0.000 . . . . . . . 80 G N1 . 50846 1 28 . 1 . 1 81 81 G H1 H 1 13.147 0.003 . . . . . . . 81 G H1 . 50846 1 29 . 1 . 1 81 81 G N1 N 15 147.956 0.000 . . . . . . . 81 G N1 . 50846 1 30 . 1 . 1 82 82 U H3 H 1 14.160 0.002 . . . . . . . 82 U H3 . 50846 1 31 . 1 . 1 90 90 U H3 H 1 13.760 0.002 . . . . . . . 90 U H3 . 50846 1 32 . 1 . 1 90 90 U N3 N 15 162.385 0.000 . . . . . . . 90 U N3 . 50846 1 33 . 1 . 1 91 91 G H1 H 1 11.956 0.001 . . . . . . . 91 G H1 . 50846 1 34 . 1 . 1 91 91 G N1 N 15 146.216 0.000 . . . . . . . 91 G N1 . 50846 1 35 . 1 . 1 92 92 G H1 H 1 13.305 0.002 . . . . . . . 92 G H1 . 50846 1 36 . 1 . 1 92 92 G N1 N 15 148.243 0.000 . . . . . . . 92 G N1 . 50846 1 37 . 1 . 1 98 98 G H1 H 1 12.626 0.004 . . . . . . . 98 G H1 . 50846 1 38 . 1 . 1 98 98 G N1 N 15 147.405 0.000 . . . . . . . 98 G N1 . 50846 1 39 . 1 . 1 99 99 G H1 H 1 12.710 0.006 . . . . . . . 99 G H1 . 50846 1 40 . 1 . 1 99 99 G N1 N 15 147.450 0.000 . . . . . . . 99 G N1 . 50846 1 41 . 1 . 1 109 109 G H1 H 1 13.175 0.005 . . . . . . . 109 G H1 . 50846 1 42 . 1 . 1 109 109 G N1 N 15 147.887 0.000 . . . . . . . 109 G N1 . 50846 1 43 . 1 . 1 110 110 U H3 H 1 13.388 0.007 . . . . . . . 110 U H3 . 50846 1 44 . 1 . 1 110 110 U N3 N 15 161.641 0.000 . . . . . . . 110 U N3 . 50846 1 45 . 1 . 1 112 112 U H3 H 1 13.540 0.003 . . . . . . . 112 U H3 . 50846 1 46 . 1 . 1 112 112 U N3 N 15 161.912 0.000 . . . . . . . 112 U N3 . 50846 1 47 . 1 . 1 113 113 G H1 H 1 12.519 0.005 . . . . . . . 113 G H1 . 50846 1 48 . 1 . 1 113 113 G N1 N 15 146.967 0.000 . . . . . . . 113 G N1 . 50846 1 49 . 1 . 1 118 118 G H1 H 1 12.929 0.004 . . . . . . . 118 G H1 . 50846 1 50 . 1 . 1 118 118 G N1 N 15 148.476 0.000 . . . . . . . 118 G N1 . 50846 1 51 . 1 . 1 121 121 U H3 H 1 13.313 0.004 . . . . . . . 121 U H3 . 50846 1 52 . 1 . 1 121 121 U N3 N 15 161.340 0.000 . . . . . . . 121 U N3 . 50846 1 53 . 1 . 1 128 128 U H3 H 1 13.751 0.007 . . . . . . . 128 U H3 . 50846 1 54 . 1 . 1 128 128 U N3 N 15 161.944 0.000 . . . . . . . 128 U N3 . 50846 1 55 . 1 . 1 129 129 G H1 H 1 12.413 0.002 . . . . . . . 129 G H1 . 50846 1 56 . 1 . 1 129 129 G N1 N 15 147.415 0.000 . . . . . . . 129 G N1 . 50846 1 57 . 1 . 1 134 134 G H1 H 1 13.226 0.003 . . . . . . . 134 G H1 . 50846 1 58 . 1 . 1 134 134 G N1 N 15 147.786 0.000 . . . . . . . 134 G N1 . 50846 1 59 . 1 . 1 135 135 U H3 H 1 13.718 0.011 . . . . . . . 135 U H3 . 50846 1 60 . 1 . 1 135 135 U N3 N 15 162.312 0.000 . . . . . . . 135 U N3 . 50846 1 61 . 1 . 1 136 136 G H1 H 1 10.117 0.003 . . . . . . . 136 G H1 . 50846 1 62 . 1 . 1 136 136 G N1 N 15 142.999 0.000 . . . . . . . 136 G N1 . 50846 1 63 . 1 . 1 137 137 G H1 H 1 11.764 0.010 . . . . . . . 137 G H1 . 50846 1 64 . 1 . 1 137 137 G N1 N 15 144.633 0.000 . . . . . . . 137 G N1 . 50846 1 65 . 1 . 1 138 138 U H3 H 1 13.772 0.004 . . . . . . . 138 U H3 . 50846 1 66 . 1 . 1 138 138 U N3 N 15 162.371 0.000 . . . . . . . 138 U N3 . 50846 1 67 . 1 . 1 139 139 G H1 H 1 12.632 0.002 . . . . . . . 139 G H1 . 50846 1 68 . 1 . 1 139 139 G N1 N 15 147.112 0.000 . . . . . . . 139 G N1 . 50846 1 stop_ save_